"DRUG_NAME" "STRUCT_ID" "TARGET_NAME" "TARGET_CLASS" "ACCESSION" "GENE" "SWISSPROT" "ACT_VALUE" "ACT_UNIT" "ACT_TYPE" "ACT_COMMENT" "ACT_SOURCE" "RELATION" "MOA" "MOA_SOURCE" "ACT_SOURCE_URL" "MOA_SOURCE_URL" "ACTION_TYPE" "TDL" "ORGANISM" "levobupivacaine" 4 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.89 "IC50" "Inhibition of wild-type human ERG channel expressed in HEK293 cells assessed as blockade of potassium tail current by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "levobupivacaine" 4 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 5.79 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "levobupivacaine" 4 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201193" "BLOCKER" "Tclin" "Homo sapiens" "levobupivacaine" 4 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levobupivacaine" 4 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.707 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levobupivacaine" 4 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levobupivacaine" 4 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 4.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "levobupivacaine" 4 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "(S)-nicardipine" 5 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/022276s003lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/022276s003lbl.pdf" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "(S)-nitrendipine" 6 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 7.6 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 8.4 "IC50" "Recombinant Cav1.3 calcium channel complexes expressed in tsA-cells" "IUPHAR" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL251230" "GATING INHIBITOR" "Tclin" "Homo sapiens" "(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "~" "GATING INHIBITOR" "Tclin" "Homo sapiens" "(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q02485" "Cacna1s" "CAC1S_RAT" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "(S)-nitrendipine" 6 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17276408" "BLOCKER" "Tclin" "Homo sapiens" "levdobutamine" 13 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1367478" "AGONIST" "Tclin" "Homo sapiens" "aminopterin" 21 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 8.7 "IC50" "Inhibitory activity against dihydrofolate reductase(DHFR) isolated from L1210 murine leukemia cells" "CHEMBL" "=" "Mus musculus" "aminopterin" 21 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 8.3 "IC50" "Inhibition of dihydrofolate reductase in Lactobacillus casei" "CHEMBL" "=" "Lactobacillus casei" "aminopterin" 21 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 7.96 "IC50" "Inhibition of dihydrofolate reductase in Escherichia coli" "CHEMBL" "=" "Escherichia coli" "aminopterin" 21 "Folylpoly-gamma-glutamate synthetase" "Enzyme" "P48760" "Fpgs" "FOLC_MOUSE" 4.75 "Ki" "Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver" "CHEMBL" "=" "Mus musculus" "aminopterin" 21 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 4.93 "IC50" "Inhibition of human dihydrofolate reductase" "SCIENTIFIC LITERATURE" "=" 1 "EXPERT CURATOR" "https://pubmed.ncbi.nlm.nih.gov/8035423" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376180" "INHIBITOR" "Tclin" "Homo sapiens" "phenylbutanoic acid" 24 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.02 "IC50" "Inhibition of aldose reductase" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenylbutanoic acid" 24 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.19 "IC50" "Inhibition of human recombinant HDAC2" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenylbutanoic acid" 24 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 4.19 "IC50" "Inhibition of human recombinant HDAC1" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenylbutanoic acid" 24 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 4.03 "IC50" "Inhibition of human recombinant HDAC8" "CHEMBL" "=" "Tclin" "Homo sapiens" "azacitidine" 25 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" 6.52 "IC50" "Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1489" "INHIBITOR" "Tclin" "Homo sapiens" "azacitidine" 25 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "Mechanism of Action; CHEMBL1992; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1489" "INHIBITOR" "Tclin" "Homo sapiens" "fluorouracil" 26 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL185" "INHIBITOR" "Tclin" "Homo sapiens" "fluorouracil" 26 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "fluorouracil" 26 "ATP-binding cassette sub-family C member 11" "Transporter" "Q96J66" "ABCC11" "ABCCB_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "fluorouracil" 26 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 7.7 "IC50" "Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 hrs by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "fluorouracil" 26 "Uracil phosphoribosyltransferase" "Enzyme" "P0A8F0" "upp" "UPP_ECOLI" 4.89 "Ki" "Inhibition of Escherichia coli K-12 MTCC 1302 UPRT activity by spectrophotometry" "CHEMBL" "=" "Escherichia coli (strain K12)" "azaribine" 27 "Orotidine 5'-phosphate decarboxylase" "Enzyme" "O26232" "pyrF" "PYRF_METTH" 4.96 "Ki" "Inhibition of Methanobacterium thermoautotrophicum ODCase" "CHEMBL" "=" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" "azaribine" 27 "Orotidine 5'-phosphate decarboxylase" "Enzyme" "P03962" "URA3" "PYRF_YEAST" 7.19 "Ki" "Inhibition of yeast ODCase" "CHEMBL" "=" "Saccharomyces cerevisiae" "methoxsalen" 30 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.12 "IC50" "Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by spectrophotometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "methoxsalen" 30 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 7.398 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "methoxsalen" 30 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.07 "IC50" "Inhibition of MAO-A activity" "CHEMBL" "=" "Tclin" "Homo sapiens" "methoxsalen" 30 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4.83 "EC50" "Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by ELISA" "CHEMBL" "=" "Agaricus bisporus" "methoxsalen" 30 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4.83 "EC50" "Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by ELISA" "CHEMBL" "=" "Agaricus bisporus" "abacavir" 34 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 5.276 "EC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" "abacavir" 34 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 5.28 "EC50" "In vitro antiviral activity against HIV-1 Reverse transcriptase wild type" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2106686" "INHIBITOR" "Human immunodeficiency virus 1" "abacavir" 34 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 6.89 "IC50" "Inhibition on HIV1 reverse transcriptase p66/p51" "CHEMBL" "=" "Human immunodeficiency virus 1" "abarelix" 35 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.49 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1252" "ANTAGONIST" "Tclin" "Homo sapiens" "acamprosate" 38 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201293" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "acamprosate" 38 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN2D|GRIN3B|GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN3A" "NMDE4_HUMAN|NMD3B_HUMAN|NMDZ1_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMD3A_HUMAN" "Mechanism of Action; CHEMBL2094124; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201293" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "acarbose" 39 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 5.697 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "INHIBITOR" "Tclin" "Homo sapiens" "acarbose" 39 "Pancreatic alpha-amylase" "Enzyme" "P04746" "AMY2A" "AMYP_HUMAN" "Mechanism of Action; CHEMBL2045; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1566" "INHIBITOR" "Tclin" "Homo sapiens" "acarbose" 39 "Alpha-amylase 1" "Enzyme" "P04745" "AMY1A" "AMY1_HUMAN" 6 "IC50" "Inhibition of human salivary alpha-amylase" "CHEMBL" "=" "Tchem" "Homo sapiens" "acarbose" 39 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 5.3 "IC50" "Inhibition of maltase in human Caco-2 cell model system after 2 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "acarbose" 39 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 6.4 "IC50" "Inhibition of rat intestinal sucrase using sucrose as substrate assessed as D-glucose release from substrate preincubated for 15 mins measured after 60 mins" "CHEMBL" "=" "Rattus norvegicus" "acarbose" 39 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 5.46 "Ki" "Competitive inhibition of rat alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation" "CHEMBL" "=" "Rattus norvegicus" "acarbose" 39 "Alpha-amylase" "Enzyme" "P94451" "P94451_GEOSE" 6.47 "Ki" "Competitive inhibition of Bacillus stearothermophilus alpha-glucosidase assessed as production of chromogenic p-Nitrphenol measured after 3 mins by HPLC and Michaelis-Menten equation" "CHEMBL" "=" "Geobacillus stearothermophilus" "acarbose" 39 "Oligo-1,6-glucosidase" "Enzyme" "P53051" "IMA1" "MALX3_YEAST" 4.42 "IC50" "Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 10 mins measured after 30 mins" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "acarbose" 39 "Pancreatic alpha-amylase" "Enzyme" "P00690" "AMY2" "AMYP_PIG" 4.45 "IC50" "Inhibition of porcine pancreatic alpha amylase using starch as substrate by Bernfeld method" "CHEMBL" "=" "Sus scrofa" "acarbose" 39 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.609 "Ki" "C-terminal catalytic subunit" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21669536" "Tchem" "Homo sapiens" "acebutolol" 40 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL642" "ANTAGONIST" "Tclin" "Homo sapiens" "acebutolol" 40 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "acebutolol" 40 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "CHEMBL" "=" "Rattus norvegicus" "aceclofenac" 43 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.92 "Kd" "CHEMBL" "=" "Tclin" "Homo sapiens" "aceclofenac" 43 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.89 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "aceclofenac" 43 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.227 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "aceclofenac" 43 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11556519" "INHIBITOR" "Tclin" "Homo sapiens" "acediasulfone" 44 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 4.7 "IC50" "Inhibition of Aldose reductase (AR)" "CHEMBL" "=" "Bos taurus" "acediasulfone" 44 "Dihydropteroate synthetase, putative" "Unclassified" "Q4Z710" "Q4Z710_PLABA" 4.75 "IC50" "Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei" "CHEMBL" "=" "Plasmodium berghei (strain Anka)" "acediasulfone" 44 "6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase" "Unclassified" "A0A113T0T6" "PPPK-DHPS" "A0A113T0T6_PLABE" 4.75 "IC50" "Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei" "CHEMBL" "=" "Plasmodium berghei" "acemetacin" 47 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01582" "INHIBITOR" "Tclin" "Homo sapiens" "acemetacin" 47 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01582" "INHIBITOR" "Tclin" "Homo sapiens" "acemetacin" 47 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.89 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "acenocoumarol" 48 "Vitamin K epoxide reductase complex subunit 1" "Unclassified" "Q6TEK4" "Vkorc1" "VKOR1_RAT" 6.11 "IC50" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "acenocoumarol" 48 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 6.114 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17275317" "https://pubmed.ncbi.nlm.nih.gov/3207986" "INHIBITOR" "Tclin" "Homo sapiens" "acefylline" 49 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.56 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "aceprometazine" 50 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.has-sante.fr/portail/upload/docs/application/pdf/2012-09/mepronizine_ct_8952.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "paracetamol" 52 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.31 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "INHIBITOR" "Tclin" "Homo sapiens" "paracetamol" 52 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL112" "OPENER" "Tclin" "Homo sapiens" "paracetamol" 52 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.21 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.94 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.15 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.04 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.15 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.97 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paracetamol" 52 "Arachidonate 5-lipoxygenase-activating protein" "Cytosolic other" "P20292" "ALOX5AP" "AL5AP_HUMAN" 4.36 "IC50" "Inhibition of FLAP" "CHEMBL" "=" "Tchem" "Homo sapiens" "paracetamol" 52 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.547 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "paracetamol" 52 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.52 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "paracetamol" 52 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.03 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "paracetamol" 52 "Myoglobin" "Unclassified" "P02144" "MB" "MYG_HUMAN" 5.64 "IC50" "Inhibition of myoglobin (unknown origin)-mediated arachidonic acid oxidation using [14C]AA as substrate after 3 hrs by GC/NICI/MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "paracetamol" 52 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23940628" "AGONIST" "Tclin" "Homo sapiens" "acetanilide" 54 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 2, isoform A; LD26647p" "Enzyme" "Q9VTU8" "CAH2" "Q9VTU8_DROME" 7.11 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Drosophila melanogaster" "acetazolamide" 56 "Carbonic anhydrase 1; GH09688p" "Enzyme" "Q9V396" "CAH1" "Q9V396_DROME" 6.97 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Drosophila melanogaster" "acetazolamide" 56 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.48 "Ki" "Inhibitory constant value for Carbonic anhydrase II in human determined in pH-shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.92 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.96 "Ki" "Inhibition of human secreted carbonic anhydrase 4 measured by CO2 hydration reaction assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 8.05 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 catalytic domain expressed in Escherichia coli by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.6 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL20" "INHIBITOR" "Tclin" "Homo sapiens" "acetazolamide" 56 "Aquaporin-1" "Transporter" "P29972" "AQP1" "AQP1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.22 "Ki" "Inhibition of recombinant human mitochondrial isozyme CA VA" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.27 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.6 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 7.7 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "acetazolamide" 56 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 8.51 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.96 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.39 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.77 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "Mus musculus" "acetazolamide" 56 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.15 "Ki" "Compound was evaluated for inhibition against bovine carbonic anhydrase IV" "CHEMBL" "=" "Bos taurus" "acetazolamide" 56 "Carbonic anhydrase 7" "Enzyme" "Q9ERQ8" "Ca7" "CAH7_MOUSE" 7.8 "Ki" "Ki value against mouse carbonic anhydrase VII" "CHEMBL" "=" "Mus musculus" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 7.22 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.92 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" "acetazolamide" 56 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 8.24 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins by CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.14 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 7.09 "Ki" "Inhibition of Saccharomyces cerevisiae beta-carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.4 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "acetazolamide" 56 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 7.92 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 7.96 "Ki" "Inhibition of Candida glabrata carbonic anhydrase by stopped flow CO2 hydration assay" "CHEMBL" "=" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" "acetazolamide" 56 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.8 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "acetazolamide" 56 "Endochitinase" "Enzyme" "P29029" "CTS1" "CHIT_YEAST" 4.68 "Ki" "Inhibition of Saccharomyces cerevisiae CTS1" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 7.13 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "acetazolamide" 56 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 8 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.24 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "Dicentrarchus labrax" "acetazolamide" 56 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 7.29 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "Astrosclera willeyana" "acetazolamide" 56 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.6 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "acetazolamide" 56 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 7.08 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "acetazolamide" 56 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 8.05 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "acetazolamide" 56 "Carbonic anhydrase 2" "Enzyme" "P00921" "CA2" "CAH2_BOVIN" 6.02 "IC50" "Inhibition of bovine erythrocyte carbonic anhydrase 2 using p-nitrophenyl acetate as substrate preincubated for 10 mins before substrate addition measured after 30 mins by spectrophotometric analysis" "CHEMBL" "=" "Bos taurus" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "O43570|P00915|P00918|P07451|P22748|P23280|P35218|P43166|Q16790|Q8N1Q1|Q9ULX7|Q9Y2D0" "CA12|CA1|CA2|CA3|CA4|CA6|CA5A|CA7|CA9|CA13|CA14|CA5B" "CAH12_HUMAN|CAH1_HUMAN|CAH2_HUMAN|CAH3_HUMAN|CAH4_HUMAN|CAH6_HUMAN|CAH5A_HUMAN|CAH7_HUMAN|CAH9_HUMAN|CAH13_HUMAN|CAH14_HUMAN|CAH5B_HUMAN" 9.1 "Ki" "Compound was evaluated for the inhibition of Carbonic anhydrase (Non competitive)" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P00921|P18915|Q3SZX4|Q95323" "CA2|CA6|CA3|CA4" "CAH2_BOVIN|CAH6_BOVIN|CAH3_BOVIN|CAH4_BOVIN" 7.8 "IC50" "In vitro concentration that causes 50% inhibition of carbonic anhydrase carbonate hydro-lyase (EC.4.2.1.1) isolated from bovine erythrocyte" "CHEMBL" "=" "Bos taurus" "acetazolamide" 56 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 8.74 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "P46510" "CAHX_FLABI" 7.57 "Ki" "Inhibition of Flaveria bidentis recombinant CA by CO2 hydration assay" "CHEMBL" "=" "Flaveria bidentis" "acetazolamide" 56 "Carbonic anhydrase 3" "Enzyme" "Q3SZX4" "CA3" "CAH3_BOVIN" 4.08 "Ki" "Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Bos taurus" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 7.56 "Ki" "CHEMBL" "=" "Anopheles gambiae" "acetazolamide" 56 "Carbonic anhydrase" "Enzyme" "Q9HVB9" "Q9HVB9_PSEAE" 7.12 "Ki" "CHEMBL" "=" "Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)" "acetazolamide" 56 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 8.37 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "acetazolamide" 56 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.35 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "acetazolamide" 56 "Carbonic anhydrase-related protein 11" "Enzyme" "O75493" "CA11" "CAH11_HUMAN" 8.24 "Ki" "Inhibition of recombinant human membrane bound carbonic anhydrase 11 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "acetohexamide" 57 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 4.639 "Ki" "displacement of [3H]glyburide binding in HEK-293 cells expressing hSUR1-hKir6.2" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10742287" "https://pubmed.ncbi.nlm.nih.gov/10742287" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "acetohydroxamic acid" 58 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.33 "IC50" "Inhibitory activity against carbonic anhydrase II" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetohydroxamic acid" 58 "Bacterial urease" "Enzyme" "Q03282|Q03283|Q03284" "ureA|ureB|ureC" "URE3_ECOLX|URE2_ECOLX|URE1_ECOLX" "Mechanism of Action; CHEMBL2364683; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL734" "INHIBITOR" "Escherichia coli" "acetohydroxamic acid" 58 "Urease" "Enzyme" "P07374" "UREA_CANEN" 4.76 "IC50" "Inhibition of jack bean urease" "CHEMBL" "=" "Canavalia ensiformis" "acetohydroxamic acid" 58 "Urease subunit beta" "Enzyme" "Q0PXQ5" "ureB" "Q0PXQ5_HELPX" 4.76 "IC50" "Inhibition of Helicobacter pylori urease after 50 mins by indophenol method" "CHEMBL" "=" "Helicobacter pylori" "acetophenazine" 59 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1085" "ANTAGONIST" "Tclin" "Homo sapiens" "acetophenazine" 59 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.1 "Ki" "Displacement of [3H]mibolerone from rat androgen receptor" "CHEMBL" "=" "Rattus norvegicus" "racecadotril" 60 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 6.5 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "racecadotril" 60 "Neprilysin" "Enzyme" "P08473" "MME" "NEP_HUMAN" 9 "IC50" "Inhibition of human NEP-mediated amyloid beta hydrolysis" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D08464" "INHIBITOR" "Tclin" "Homo sapiens" "racecadotril" 60 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.38 "IC50" "CHEMBL" "=" "Oryctolagus cuniculus" "racecadotril" 60 "Neprilysin" "Enzyme" "P07861" "Mme" "NEP_RAT" 8.32 "IC50" "CHEMBL" "=" "Rattus norvegicus" "racecadotril" 60 "Neprilysin" "Enzyme" "P08049" "MME" "NEP_RABIT" 8.4 "IC50" "CHEMBL" "=" "Oryctolagus cuniculus" "racecadotril" 60 "Neprilysin" "Enzyme" "P19621" "MME" "NEP_PIG" 8.21 "IC50" "CHEMBL" "=" "Sus scrofa" "racecadotril" 60 "Endothelin-converting enzyme 1" "Enzyme" "P42892" "ECE1" "ECE1_HUMAN" 8.1 "IC50" "CHEMBL" "=" "Homo sapiens" "racecadotril" 60 "Thermolysin" "Enzyme" "P00800" "npr" "THER_BACTH" 5.02 "IC50" "CHEMBL" "=" "Bacillus thermoproteolyticus" "acetoxolone" 62 "Liver carboxylesterase 1" "Enzyme" "P23141" "CES1" "EST1_HUMAN" 4.3 "IC50" "Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by LC-UV analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "acetoxolone" 62 "Estradiol 17-beta-dehydrogenase 1" "Enzyme" "P14061" "HSD17B1" "DHB1_HUMAN" 4.73 "IC50" "Inhibition of human recombinant 17betaHSD1 expressed in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "acetoxolone" 62 "Estradiol 17-beta-dehydrogenase 2" "Enzyme" "P37059" "HSD17B2" "DHB2_HUMAN" 5.42 "IC50" "Inhibition of human recombinant 17-beta-HSD2 expressed in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "acetoxolone" 62 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P80365" "HSD11B2" "DHI2_HUMAN" 6.7 "IC50" "Inhibition of human recombinant 11-beta-HSD2 expressed in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "acetoxolone" 62 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 6.1 "IC50" "Inhibition of human recombinant 11-beta-HSD1 expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetoxolone" 62 "Cocaine esterase" "Enzyme" "O00748" "CES2" "EST2_HUMAN" 4.39 "IC50" "Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 30 mins by LC-UV analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "acetylcholine" 65 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.11 "EC50" "Activation of M1-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetylcholine" 65 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "acetylcholine" 65 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.66 "EC50" "Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL667" "AGONIST" "Tclin" "Homo sapiens" "acetylcholine" 65 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "acetylcholine" 65 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.1 "EC50" "Activation of M5-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetylcholine" 65 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.1 "Ki" "Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "acetylcholine" 65 "Acetylcholine-binding protein" "Unclassified" "P58154" "ACHP_LYMST" 5.5 "Ki" "Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP" "CHEMBL" "=" "Lymnaea stagnalis" "acetylcholine" 65 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 7.37 "Ki" "Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand" "CHEMBL" "=" "Torpedo californica" "acetylcholine" 65 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 5.45 "Ki" "Displacement of [3H]alpha-bungaro-toxine from nicotinic alpha-7 receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "acetylcholine" 65 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 7.96 "Ki" "Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "acetylcholine" 65 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 7.39 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "acetylcholine" 65 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 6.21 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK292 cells after 3 hrs" "CHEMBL" "=" "Rattus norvegicus" "acetylcholine" 65 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 8.12 "Ki" "Displacement of [3H]-cytisine from Alpha4-beta2 Nicotinic acetylcholine receptor of rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "acetylcholine" 65 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 7.24 "Ki" "Displacement of [3H]epibatidine from rat recombinant alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs by scintillation counting analysis" "CHEMBL" "=" "Rattus norvegicus" "acetylcholine" 65 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 5.8 "EC50" "Partial agonist activity at human 2:3 alpha4beta2 nAChR expressed in Xenopus laevis oocytes after 1 min by two electrode voltage clamp technique" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "acetylcholine" 65 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 7.92 "IC50" "Compound was tested in vitro for its binding affinity to muscarinic acetylcholine receptor from rat cortical homogenates using [3H]OXO-M as radioligand" "CHEMBL" "=" "Rattus norvegicus" "acetylcholine" 65 "Nicotinic acetylcholine receptor alpha8 subunit" "Ion channel" "H6TY12" "H6TY12_PERAM" 4.94 "EC50" "Agonist activity at Periplaneta americana (American cockroach) nAChR in terminal abdominal ganglion assessed as assessed as inward current by tight-seal whole cell patch clamp method" "CHEMBL" "=" "Periplaneta americana" "acetylcysteine" 66 "Cytochrome c" "Enzyme" "P99999" "CYCS" "CYC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "acetylcysteine" 66 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "acetylcysteine" 66 "Superoxide dismutase [Mn], mitochondrial" "Enzyme" "P04179" "SOD2" "SODM_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "acetylcysteine" 66 "Glutathione synthetase" "Enzyme" "P48637" "GSS" "GSHB_HUMAN" "DRUGBANK" "MODULATOR" "Tbio" "Homo sapiens" "acetylcysteine" 66 "Cystine/glutamate transporter" "Transporter" "Q9UPY5" "SLC7A11" "XCT_HUMAN" "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21118657" "MODULATOR" "Tbio" "Homo sapiens" "acetyldigitoxin" 67 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1B1|ATP1A3|ATP1B2|ATP1A2|ATP1B3|FXYD2|ATP1A4" "AT1A1_HUMAN|AT1B1_HUMAN|AT1A3_HUMAN|AT1B2_HUMAN|AT1A2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN|AT1A4_HUMAN" "Mechanism of Action; CHEMBL2095186; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3545057" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "acepromazine" 73 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "DRUGBANK" 1 "DRUGBANK" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL39560" "ANTAGONIST" "Tclin" "Homo sapiens" "acepromazine" 73 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "DRUGBANK" 1 "DRUGBANK" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL39560" "ANTAGONIST" "Tclin" "Homo sapiens" "acepromazine" 73 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.3 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "acetylsalicylic acid" 74 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.12 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "INHIBITOR" "Tclin" "Homo sapiens" "acetylsalicylic acid" 74 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.77 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL25" "INHIBITOR" "Tclin" "Homo sapiens" "acetylsalicylic acid" 74 "Acidic phospholipase A2 3" "Enzyme" "P60045" "PA2A3_NAJSG" 5.2 "Kd" "WOMBAT-PK" "=" "Naja sagittifera" "acetylsalicylic acid" 74 "Gamma-glutamyltranspeptidase 1" "Enzyme" "P19440" "GGT1" "GGT1_HUMAN" 4.44 "IC50" "Inhibition of gamma-glutamyltranspeptidase by colorimetric assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "acetylsalicylic acid" 74 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.52 "IC50" "In vitro inhibitory concentration against COX-1 enzyme" "CHEMBL" "=" "Ovis aries" "acetylsalicylic acid" 74 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.62 "IC50" "In vitro inhibition of ovine prostaglandin G/H synthase 2" "CHEMBL" "=" "Ovis aries" "acetylsalicylic acid" 74 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 6.46 "IC50" "Inhibition of bovine COX-1 by enzyme immuno assay" "CHEMBL" "=" "Bos taurus" "acetylsalicylic acid" 74 "Acid-sensing ion channel 3" "Ion channel" "Q9UHC3" "ASIC3" "ASIC3_HUMAN" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "acetylsalicylic acid" 74 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9.3 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "acipimox" 76 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 5.6 "EC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17705685" "AGONIST" "Tclin" "Homo sapiens" "acitretin" 78 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" "Mechanism of Action" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1131" "AGONIST" "Tclin" "Homo sapiens" "acitretin" 78 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.74 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "acitretin" 78 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1131" "AGONIST" "Tclin" "Homo sapiens" "acitretin" 78 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.71 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aclarubicin" 80 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.152 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "aclarubicin" 80 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5 "IC50" "Concentration inhibiting Clostridium histolyticum collagenase." "CHEMBL" "=" "Tchem" "Homo sapiens" "aclarubicin" 80 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" "Topoisomerase inhibitor" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01911" "INHIBITOR" "Tclin" "Homo sapiens" "aclarubicin" 80 "DNA topoisomerase II" "Enzyme" "P11388|Q02880" "TOP2A|TOP2B" "TOP2A_HUMAN|TOP2B_HUMAN" "Topoisomerase inhibitor" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01911" "INHIBITOR" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "aclatonium" 81 "Muscarinic acetylcholine receptor" "GPCR" "P08172|P08173|P08912|P11229|P20309" "CHRM2|CHRM4|CHRM5|CHRM1|CHRM3" "ACM2_HUMAN|ACM4_HUMAN|ACM5_HUMAN|ACM1_HUMAN|ACM3_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1696381" "https://pubmed.ncbi.nlm.nih.gov/1696381" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "acrivastine" 82 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "acrivastine" 82 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.16 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1224" "ANTAGONIST" "Tclin" "Homo sapiens" "acrivastine" 82 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 5.21 "IC50" "Inhibition of H1 receptor in Cavia porcellus Hartley (guinea pig) ileum assessed as inhibition of histamine-induced spasms incubated 2 min prior histamine-challenge" "CHEMBL" "=" "Cavia porcellus" "acyclovir" 85 "Purine nucleoside phosphorylase" "Enzyme" "P00491" "PNP" "PNPH_HUMAN" 4.04 "Ki" "Inhibition of human PNP" "CHEMBL" "=" "Tclin" "Homo sapiens" "acyclovir" 85 "Thymidine kinase" "Kinase" "P09250" "KITH_VZVD" "WOMBAT-PK" "Varicella-zoster virus (strain Dumas)" "acyclovir" 85 "Purine nucleoside phosphorylase" "Enzyme" "P9WP01" "punA" "PUNA_MYCTU" 4.9 "Kd" "Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "acyclovir" 85 "Purine nucleoside phosphorylase" "Enzyme" "P00491" "PNP" "PNPH_HUMAN" 4.04 "Ki" "Inhibition of human PNP" "CHEMBL" "=" "Tclin" "Homo sapiens" "acyclovir" 85 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/1998/18603s19lbl.pdf" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "acyclovir" 85 "DNA polymerase catalytic subunit" "Enzyme" "P09252" "DPOL_VZVD" "WOMBAT-PK" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/1998/18603s19lbl.pdf" "INHIBITOR" "Varicella-zoster virus (strain Dumas)" "acyclovir" 85 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" "WOMBAT-PK" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/1998/18603s19lbl.pdf" "INHIBITOR" "Human herpesvirus 1" "acyclovir" 85 "Thymidine kinase" "Kinase" "P04407" "TK" "KITH_HHV23" "WOMBAT-PK" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/1998/18603s19lbl.pdf" "INHIBITOR" "Human herpesvirus 2 (strain 333)" "adapalene" 87 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.89 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "adapalene" 87 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 5.96 "Ki" "Binding affinity towards Retinoic acid receptor alpha" "CHEMBL" "=" "Tclin" "Homo sapiens" "adapalene" 87 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 7.47 "Ki" "Binding affinity towards Retinoic acid receptor beta" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "AGONIST" "Tclin" "Homo sapiens" "adapalene" 87 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.89 "Ki" "Binding affinity towards Retinoic acid receptor gamma" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1265" "AGONIST" "Tclin" "Homo sapiens" "adefovir dipivoxil" 88 "Protein P" "Polyprotein" "Q9IF40" "P" "Q9IF40_HBV" "Mechanism of Action; CHEMBL2362994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL922" "INHIBITOR" "Hepatitis B virus" "adefovir dipivoxil" 88 "DNA polymerase subunit gamma-1" "Enzyme" "P54098" "POLG" "DPOG1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "adefovir dipivoxil" 88 "Capsid protein" "Unclassified" "Q03732" "HBcAg" "Q03732_HBV" 7.08 "EC50" "Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by real time PCR analysis" "CHEMBL" "=" "Hepatitis B virus" "adenine" 89 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 4.96 "IC50" "Inhibition of human xanthine oxidase" "CHEMBL" "=" "Tclin" "Homo sapiens" "adenine" 89 "Phosphatidylinositol 4-kinase, PI4K" "Kinase" "P42356|Q8TCG2|Q9BTU6|Q9UBF8" "PI4KA|PI4K2B|PI4K2A|PI4KB" "PI4KA_HUMAN|P4K2B_HUMAN|P4K2A_HUMAN|PI4KB_HUMAN" 4.07 "Ki" "Binding affinity (Ki) against human phosphatidylinositol 4-kinase" "CHEMBL" "=" "Tbio|Tbio|Tchem|Tchem|Tbio|Tbio|Tchem|Tchem|Tbio|Tbio|Tchem|Tchem|Tbio|Tbio|Tchem|Tchem" "Homo sapiens" "adenosine" 90 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.155 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "AGONIST" "Tclin" "Homo sapiens" "adenosine" 90 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.509 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "AGONIST" "Tclin" "Homo sapiens" "adenosine" 90 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.62 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL477" "AGONIST" "Tclin" "Homo sapiens" "adenosine" 90 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.54 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "adenosine" 90 "Adenosine kinase" "Kinase" "P55263" "ADK" "ADK_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "adenosine" 90 "Adenosine deaminase" "Enzyme" "P00813" "ADA" "ADA_HUMAN" 4.602 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "adenosine" 90 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 8.29 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "Rattus norvegicus" "adenosine" 90 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 7.52 "Ki" "Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "adenosine" 90 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 7 "Ki" "Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "adenosine" 90 "Adenosine kinase" "Kinase" "Q9TVW2" "AK" "ADK_TOXGO" 5.05 "Ki" "Binding affinity to purified Toxoplasma gondii adenosine kinase" "CHEMBL" "=" "Toxoplasma gondii" "adenosine" 90 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 5.36 "Kd" "Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine" 90 "Adenosylhomocysteinase" "Enzyme" "P23526" "AHCY" "SAHH_HUMAN" 5.796 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "adenosine" 90 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2b|Adora2a" "AA2BR_RAT|AA2AR_RAT" 8.3 "Ki" "Binding affinity for Adenosine A2 receptor in corpora striata of rats using [3H]NECA" "CHEMBL" "=" "Rattus norvegicus" "adenosine" 90 "Phosphatidylinositol 4-kinase type 2-alpha" "Kinase" "Q9BTU6" "PI4K2A" "P4K2A_HUMAN" 5 "IC50" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "adenosine" 90 "Phosphatidylinositol 4-kinase type 2-beta" "Kinase" "Q8TCG2" "PI4K2B" "P4K2B_HUMAN" 5 "IC50" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "adenosine" 90 "Glyceraldehyde-3-phosphate dehydrogenase liver" "Enzyme" "P04406" "GAPDH" "G3P_HUMAN" 4.46 "IC50" "Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate dehydrogenase (gGAPDH) of human erythrocyte" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine" 90 "cAMP-dependent protein kinase A" "Kinase" "P00515|P00517|P05131|P31322" "PRKAR2A|PRKACA|PRKACB|PRKAR2B" "KAP2_BOVIN|KAPCA_BOVIN|KAPCB_BOVIN|KAP3_BOVIN" 4.82 "Ki" "Inhibitory constant for Protein Kinase A" "CHEMBL" "=" "Bos taurus" "adenosine" 90 "Histone-lysine N-methyltransferase, H3 lysine-79 specific" "Enzyme" "Q8TEK3" "DOT1L" "DOT1L_HUMAN" 4 "IC50" "Inhibition of DOT1L (2 to 416 residues) (unknown origin) using biotinylated nucleosomes as substrate preincubated for 30 mins followed by substrate addition in presence of [3H-Me]SAM by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "P2Y purinoceptor 1" "GPCR" "P49652" "P2RY1" "P2RY1_MELGA" 5.55 "EC50" "Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes" "CHEMBL" "=" "Meleagris gallopavo" "adenosine triphosphate" 91 "P2X purinoceptor 1" "Ion channel" "P51575" "P2RX1" "P2RX1_HUMAN" 7.25 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "P2Y purinoceptor 4" "GPCR" "P51582" "P2RY4" "P2RY4_HUMAN" 6.2 "Ki" "GRAC: human P2Y4 selective antagonist" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.89 "Kd" "Binding affinity to wild type 6XHis-tagged human JAK2 JH2 domain (513 to 827 residues) expressed in baculovirus infected Sf9 cells by MANT-ATP binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "adenosine triphosphate" 91 "P2Y purinoceptor 1" "GPCR" "P47900" "P2RY1" "P2RY1_HUMAN" 6.07 "EC50" "Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 7.1 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "adenosine triphosphate" 91 "P2Y purinoceptor 11" "GPCR" "Q96G91" "P2RY11" "P2Y11_HUMAN" 5.17 "EC50" "Agonist activity at human GFP-tagged P2Y11R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "adenosine triphosphate" 91 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 5.8 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "P2Y purinoceptor 13" "GPCR" "Q9BPV8" "P2RY13" "P2Y13_HUMAN" 5.4 "IC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Endoplasmin" "Membrane other" "P41148" "HSP90B1" "ENPL_CANFA" 5.49 "IC50" "Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from dog Grp94 after 24 hrs by fluorescence polarization assay" "CHEMBL" "=" "Canis familiaris" "adenosine triphosphate" 91 "MAP kinase-activated protein kinase 2" "Kinase" "P49137" "MAPKAPK2" "MAPK2_HUMAN" 5.55 "IC50" "Inhibition of human recombinant phospho-MK2 (36-400) by HTRF assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 5.55 "Kd" "Binding affinity to recombinant human biotinylated N-terminal GST-tagged autophosphorylated TAK1 (1 to 303 residues) fused with TAB1 (437 to 504 residues) expressed in baculovirus infected sf9 cells by SPR assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "P2X purinoceptor 4" "Ion channel" "Q99571" "P2RX4" "P2RX4_HUMAN" 6.3 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q13304" "GPR17" "GPR17_HUMAN" 7.43 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "P2X purinoceptor 3" "Ion channel" "P56373" "P2RX3" "P2RX3_HUMAN" 7.836 "Ki" "PDSP" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Heat shock protein 75 kDa, mitochondrial" "Unclassified" "Q12931" "TRAP1" "TRAP1_HUMAN" 4.5 "IC50" "Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from recombinant human Trap-1 after 24 hrs by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Adenylate kinase 2" "Kinase" "P29410" "Ak2" "KAD2_RAT" 4.05 "Ki" "Inhibitory activity against rat adenylate kinase II was determined in the presence of ATP, non competitive inhibition" "CHEMBL" "=" "Rattus norvegicus" "adenosine triphosphate" 91 "Heat shock cognate 71 kDa protein" "Unclassified" "P11142" "HSPA8" "HSP7C_HUMAN" 4.76 "IC50" "PUBCHEM_BIOASSAY: In Vitro Hsc70 Dose Response Fluorescence Polarization Assay. (Class of assay: confirmatory) [Related pubchem assays: 1072 ]" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Heat shock 70 kDa protein 1A" "Unclassified" "P0DMV8" "HSPA1A" "HS71A_HUMAN" 5.47 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine triphosphate" 91 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q7TN37" "Trpm4" "TRPM4_MOUSE" 6.1 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "adenosine triphosphate" 91 "P2X purinoceptor 2" "Unclassified" "P49653" "P2rx2" "P2RX2_RAT" 5.85 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "adenosine triphosphate" 91 "P2X purinoceptor 4" "Unclassified" "Q9JJX6" "P2rx4" "P2RX4_MOUSE" 6 "EC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "adenosine triphosphate" 91 "P2Y purinoceptor 4" "GPCR" "O35811" "P2ry4" "P2RY4_RAT" 6.3 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "adenosine triphosphate" 91 "P2X purinoceptor 4" "Unclassified" "P51577" "P2rx4" "P2RX4_RAT" 5.3 "EC50" "" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "adenosine triphosphate" 91 "P2X purinoceptor 6" "Unclassified" "P51579" "P2rx6" "P2RX6_RAT" 6 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "adenosine triphosphate" 91 "P2X purinoceptor 5" "Unclassified" "P51578" "P2rx5" "P2RX5_RAT" 6 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "adenosine triphosphate" 91 "P2X purinoceptor 4" "Unclassified" "P51577" "P2rx4" "P2RX4_RAT" 5.3 "EC50" "" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "adenosine triphosphate" 91 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.89 "Kd" "Binding affinity to wild type 6XHis-tagged human JAK2 JH2 domain (513 to 827 residues) expressed in baculovirus infected Sf9 cells by MANT-ATP binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "adenosine phosphate" 92 "Fructose-1,6-bisphosphatase 1" "Enzyme" "P09467" "FBP1" "F16P1_HUMAN" 6.85 "IC50" "Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine phosphate" 92 "Fructose-1,6-bisphosphatase 1" "Enzyme" "P00636" "FBP1" "F16P1_PIG" 5.89 "IC50" "Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry" "CHEMBL" "=" "Sus scrofa" "adenosine phosphate" 92 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 7 "IC50" "Inhibition of p60c-src expressed in chick embryo fibroblast" "CHEMBL" "=" "Tclin" "Homo sapiens" "adenosine phosphate" 92 "Transient receptor potential cation channel subfamily M member 2" "Ion channel" "O94759" "TRPM2" "TRPM2_HUMAN" 4.15 "IC50" "Inhibition of TRPM2 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine phosphate" 92 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 4.7 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Tchem" "Homo sapiens" "adenosine phosphate" 92 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 9.64 "Ki" "Inhibition constant against HIV-1 Protease" "CHEMBL" "=" "Human immunodeficiency virus 1" "adenosine phosphate" 92 "Alcohol dehydrogenase" "Enzyme" "P00327|P00328" "ADH1E_HORSE|ADH1S_HORSE" 4.42 "Ki" "Inhibition constant was evaluated against horse liver alcohol dehydrogenase" "CHEMBL" "=" "Equus caballus" "adenosine phosphate" 92 "L-lactate dehydrogenase A chain" "Enzyme" "P00338" "LDHA" "LDHA_HUMAN" 3.19 "Kd" "Binding affinity to 6-His-tagged human LDHA (2 to 322 amino acid residue) expressed in Escherichia coli BL21 (DE3) cells by NMR analysis in presence of NADH" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine phosphate" 92 "Ketopantoate reductase" "Enzyme" "P0A9J4" "panE" "PANE_ECOLI" 2.2 "Ki" "Inhibition of Escherichia coli KPR" "CHEMBL" "=" "Escherichia coli (strain K12)" "adenosine phosphate" 92 "Adenylate kinase 2" "Kinase" "P29410" "Ak2" "KAD2_RAT" 4.1 "Ki" "Inhibitory activity against rat adenylate kinase II was determined in the presence of AMP" "CHEMBL" "=" "Rattus norvegicus" "adenosine phosphate" 92 "2'-deoxynucleoside 5'-phosphate N-hydrolase 1" "Enzyme" "O43598" "DNPH1" "DNPH1_HUMAN" 4.72 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "adenosine phosphate" 92 "2'-deoxynucleoside 5'-phosphate N-hydrolase 1" "Enzyme" "O35820" "Dnph1" "DNPH1_RAT" 4.4 "Ki" "CHEMBL" "=" "Rattus norvegicus" "adinazolam" 93 "Translocator protein" "Transporter" "P30536" "TSPO" "TSPO_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "adinazolam" 93 "GABA-A receptor" "Ion channel" "O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|Q16445|Q8N1C3|Q99928" "GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRA6|GABRG1|GABRG3" "GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "KEGG DRUG" "https://pubmed.ncbi.nlm.nih.gov/6148400" "http://www.kegg.jp/entry/D02770" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "adiphenine" 94 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 4.77 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "adiphenine" 94 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 7.45 "Kd" "Affinity for the Muscarinic acetylcholine receptor" "CHEMBL" "=" "Rattus norvegicus" "agomelatine" 99 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "agomelatine" 99 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "agomelatine" 99 "Melatonin receptor" "GPCR" "P48039|P49286" "MTNR1A|MTNR1B" "MTR1A_HUMAN|MTR1B_HUMAN" 10 "Ki" "Binding affinity against ovine pars tuberalis melatonin receptor using 2-[125I]- melatonin radioligand binding assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "agomelatine" 99 "Melatonin receptor" "GPCR" "P49285|P49288|P51050" "MTR1A_CHICK|MTR1C_CHICK|MTR1B_CHICK" 9.28 "Ki" "Binding affinity is evaluated for chicken brain melatonin receptor using 2-[125I]iodomelatonin as radioligand" "CHEMBL" "=" "Gallus gallus" "agomelatine" 99 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.2 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000916/WC500038317.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "agomelatine" 99 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 10.22 "Ki" "Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]iodomelatonin as radioligand" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000916/WC500038317.pdf" "AGONIST" "Tclin" "Homo sapiens" "agomelatine" 99 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 10 "Ki" "Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000916/WC500038317.pdf" "AGONIST" "Tclin" "Homo sapiens" "ajmaline" 100 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "DRUGBANK" 1 "DRUGBANK" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105617" "INHIBITOR" "Tclin" "Homo sapiens" "ajmaline" 100 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ajmaline" 100 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 7.58 "IC50" "Activity measured in mammalian cell line" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23832378" "https://pubmed.ncbi.nlm.nih.gov/23832378" "INHIBITOR" "Tclin" "Homo sapiens" "ajmaline" 100 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 7.77 "IC50" "Activity measured in mammalian cell line" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23832378" "https://pubmed.ncbi.nlm.nih.gov/23832378" "INHIBITOR" "Tclin" "Homo sapiens" "alacepril" 101 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/3000389" "INHIBITOR" "Tclin" "Homo sapiens" "alatrofloxacin" 102 "Topoisomerase IV" "Enzyme" "P0AFI2|P20083" "parC|parE" "PARC_ECOLI|PARE_ECOLI" "Mechanism of Action; CHEMBL2363076; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200498" "INHIBITOR" "Escherichia coli (strain K12)" "alatrofloxacin" 102 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200498" "INHIBITOR" "Escherichia coli (strain K12)" "albendazole" 103 "Tubulin alpha chain" "Structural" "P50719" "TBA_HAECO" "WOMBAT-PK" "Haemonchus contortus" "albendazole" 103 "Tubulin" "Structural" "C4PKY4|C4PKZ2|C4PKZ6" "C4PKY4_ECHGR|C4PKZ2_ECHGR|C4PKZ6_ECHGR" "Mechanism of Action; CHEMBL2364704; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1483" "INHIBITOR" "Echinococcus granulosus" "albendazole" 103 "Tubulin" "Structural" "F1L005|F1L4P8|F1L5G6|F1L7U3|F1L7Y0|F1L8A5|F1LCS0" "F1L005_ASCSU|F1L4P8_ASCSU|F1L5G6_ASCSU|F1L7U3_ASCSU|F1L7Y0_ASCSU|F1L8A5_ASCSU|F1LCS0_ASCSU" "Mechanism of Action; CHEMBL2364705; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1483" "INHIBITOR" "Ascaris suum" "albendazole sulfoxide" 104 "Tubulin alpha chain" "Structural" "P50719" "TBA_HAECO" "WOMBAT-PK" "Haemonchus contortus" "salbutamol" 105 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.613 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "salbutamol" 105 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.95 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL714" "AGONIST" "Tclin" "Homo sapiens" "salbutamol" 105 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.94 "Kd" "Binding affinity to adrenergic beta2 receptor in Hartley guinea pig tracheal ring" "CHEMBL" "=" "Cavia porcellus" "salbutamol" 105 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.28 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "alclofenac" 107 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" 1 "DRUGBANK" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL94081" "INHIBITOR" "Tclin" "Homo sapiens" "alclofenac" 107 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "alcuronium" 109 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "alcuronium" 109 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.9 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "alcuronium" 109 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.8 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "alcuronium" 109 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "alcuronium" 109 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" 4.721 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "alcuronium" 109 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.959 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "alcuronium" 109 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 8.7 "EC50" "CHEMBL" "=" "Sus scrofa" "alcuronium" 109 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alcuronium" 109 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" 4.347 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "aldosterone" 111 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 8.42 "EC50" "Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "aldosterone" 111 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.28 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "aldosterone" 111 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 5.32 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "aldosterone" 111 "Mineralocorticoid receptor" "Transcription factor" "P22199" "Nr3c2" "MCR_RAT" 7.37 "IC50" "Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "alendronic acid" 112 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.35 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL870" "INHIBITOR" "Tclin" "Homo sapiens" "alendronic acid" 112 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 7.02 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "Leishmania donovani" "alendronic acid" 112 "Protein farnesyltransferase subunit beta" "Enzyme" "P49356" "FNTB" "FNTB_HUMAN" 7.301 "IC50" "WOMBAT-PK" "=" "Homo sapiens" "alendronic acid" 112 "Farnesyl pyrophosphate synthase" "Enzyme" "P05369" "Fdps" "FPPS_RAT" 5.77 "IC50" "Inhibition of farnesyl diphosphate synthase in Sprague-Dawley rat liver S100 fraction using MVA as substrate preincubated for 10 min followed by MVA addition by HPLC analysis" "CHEMBL" "=" "Rattus norvegicus" "alendronic acid" 112 "Farnesyl pyrophosphate synthase" "Enzyme" "P05369" "Fdps" "FPPS_RAT" 5.77 "IC50" "Inhibition of farnesyl diphosphate synthase in Sprague-Dawley rat liver S100 fraction using MVA as substrate preincubated for 10 min followed by MVA addition by HPLC analysis" "CHEMBL" "=" "Rattus norvegicus" "alexidine" 113 "Toll-like receptor 9" "Membrane receptor" "Q9NR96" "TLR9" "TLR9_HUMAN" 5.21 "IC50" "PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]" "CHEMBL" "=" "Tclin" "Homo sapiens" "alexidine" 113 "Replicase polyprotein 1ab" "Enzyme" "P0C6X7" "rep" "R1AB_CVHSA" 4.75 "IC50" "Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate addition measured after 6 mins by FRET assay in presence of GSH" "CHEMBL" "=" "Human SARS coronavirus" "alexidine" 113 "Beta-lactamase" "Enzyme" "Q932Y6" "bla(tem-2)" "Q932Y6_PSEAI" 5.28 "IC50" "PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]" "CHEMBL" "=" "Pseudomonas aeruginosa" "alexidine" 113 "Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1" "Enzyme" "Q8WUK0" "PTPMT1" "PTPM1_HUMAN" 7.97 "IC50" "Activity measured in the presence of substrate O-MFP in an in vitro assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20167843" "INHIBITOR" "Tbio" "Homo sapiens" "alfentanil" 114 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL634" "AGONIST" "Tclin" "Homo sapiens" "alfentanil" 114 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.951 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "alfentanil" 114 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.09 "Ki" "Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes." "CHEMBL" "=" "Rattus norvegicus" "alfentanil" 114 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 7.82 "IC50" "In vitro binding activity against opioid receptor mu using [3H]DAGO) as radioligand" "CHEMBL" "=" "Cavia porcellus" "alfentanil" 114 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 8.09 "Ki" "In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "alfuzosin" 115 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.09 "Ki" "Binding affinity against Alpha-1A adrenergic receptor from human clone" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "ANTAGONIST" "Tclin" "Homo sapiens" "alfuzosin" 115 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.44 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from human clones." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "ANTAGONIST" "Tclin" "Homo sapiens" "alfuzosin" 115 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.55 "Ki" "Binding affinity against Alpha-1B adrenergic receptor from human clone" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL709" "ANTAGONIST" "Tclin" "Homo sapiens" "alfuzosin" 115 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.75 "IC50" "Inhibition of AChE (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "alfuzosin" 115 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.83 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "alfuzosin" 115 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 8.46 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from rat clones." "CHEMBL" "=" "Rattus norvegicus" "alfuzosin" 115 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.64 "Ki" "Binding affinity against Alpha-1A adrenergic receptor from bovine clone" "CHEMBL" "=" "Bos taurus" "aliskiren" 119 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.61 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aliskiren" 119 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.678 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "aliskiren" 119 "Renin" "Enzyme" "P00797" "REN" "RENI_HUMAN" 9.22 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1639" "INHIBITOR" "Tclin" "Homo sapiens" "aliskiren" 119 "Renin" "Enzyme" "Q9TSZ1" "REN" "RENI_CALJA" 8.7 "IC50" "Inhibition of renin in marmoset plasma" "CHEMBL" "=" "Callithrix jacchus" "aliskiren" 119 "Renin" "Enzyme" "Q6DLS0" "REN" "RENI_MACFA" 8.1 "IC50" "Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA" "CHEMBL" "=" "Macaca fascicularis" "aliskiren" 119 "Renin" "Enzyme" "P08424" "Ren1" "RENI_RAT" 7.1 "IC50" "Inhibition of rat renin" "CHEMBL" "=" "Rattus norvegicus" "aliskiren" 119 "Renin-1" "Enzyme" "P06281" "Ren1" "RENI1_MOUSE" 8.35 "IC50" "Inhibition of mouse renin" "CHEMBL" "=" "Mus musculus" "aliskiren" 119 "Renin" "Enzyme" "Q7M3D2" "Q7M3D2_RABIT" 7.96 "IC50" "Inhibition of rabbit renin" "CHEMBL" "=" "Oryctolagus cuniculus" "aliskiren" 119 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 7.12 "Ki" "Inhibition of HIV1 recombinant protease using Lys-Ala-Arg-Val-Nle-Nph-Glu-Ala-Nle-NH2 as substrate by spectrophotometric analysis" "CHEMBL" "=" "Human immunodeficiency virus 1" "aliskiren" 119 "Renin" "Enzyme" "Q6DLW5" "REN" "RENI_MACMU" 8.92 "IC50" "Inhibition of renin in monkey plasma" "CHEMBL" "=" "Macaca mulatta" "alizapride" 120 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.15 "Ki" "WOMBAT-PK" "=" 1 "DRUGBANK" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL290194" "ANTAGONIST" "Tclin" "Homo sapiens" "alizapride" 120 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "alizapride" 120 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.7 "IC50" "In vitro antagonistic activity against Dopamine receptor D2 was evaluated for the inhibition of [3H]spiperone binding" "CHEMBL" "=" "Rattus norvegicus" "allopurinol" 124 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 5.15 "Ki" "Inhibitory activity against Xanthine Oxidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1467" "INHIBITOR" "Tclin" "Homo sapiens" "allopurinol" 124 "Hypoxanthine-guanine phosphoribosyltransferase" "Enzyme" "P00492" "HPRT1" "HPRT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "allopurinol" 124 "Xanthine dehydrogenase/oxidase" "Enzyme" "P80457" "XDH" "XDH_BOVIN" 6 "Ki" "Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Bos taurus" "allopurinol" 124 "Xanthine dehydrogenase/oxidase" "Enzyme" "P22985" "Xdh" "XDH_RAT" 6.12 "IC50" "Inhibition of rat liver xanthine oxidase by spectrophotometry" "CHEMBL" "=" "Rattus norvegicus" "allopurinol" 124 "Shiga toxin subunit A" "Unclassified" "Q9FBI2" "stxA" "STXA_SHIDY" 4.62 "IC50" "Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit in African green monkey Vero cells assessed as inhibition of Stx-induced cytotoxicity pre-treated with compound for 1 hr followed by Stx exposure for 24 hrs by neutral red uptake assay" "CHEMBL" "=" "Shigella dysenteriae" "almotriptan" 128 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1505" "AGONIST" "Tclin" "Homo sapiens" "almotriptan" 128 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1505" "AGONIST" "Tclin" "Homo sapiens" "almotriptan" 128 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "alosetron" 129 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.64 "IC50" "Inhibition of human ERG expressed in HEK cells by patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "alosetron" 129 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.194 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alosetron" 129 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 9.3 "Ki" "Binding affinity to human HT3A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1110" "ANTAGONIST" "Tclin" "Homo sapiens" "alosetron" 129 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.218 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "alfacalcidol" 130 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alfacalcidol" 130 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "WOMBAT-PK" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01518" "AGONIST" "Tclin" "Homo sapiens" "alfaxalone" 133 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "alfaxalone" 133 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 5.699 "EC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alfaxalone" 133 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 6.52 "IC50" "Inhibition of [35S]TBPS binding to GABA-A receptor in rat cerebral cortex." "CHEMBL" "=" "Rattus norvegicus" "alfaxalone" 133 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRG2|GABRA2|GABRB2" "GBRG2_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN" 5.7 "EC50" "Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expressed in Xenopus oocytes" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alpidem" 134 "Translocator protein" "Transporter" "P30536" "TSPO" "TSPO_HUMAN" 9.3 "Ki" "Inhibition of TSPO (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "alpidem" 134 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.04 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "alpidem" 134 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 9.3 "Ki" "Displacement of [3H]PK 11195 from peripheral-type benzodiazepine receptor in rat kidney mitochondrial membranes" "CHEMBL" "=" "Rattus norvegicus" "alpidem" 134 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 7.59 "IC50" "Displacement of [3H]flunitrazepam from rat brain GABA-A Benzodiazepine receptor" "CHEMBL" "=" "Rattus norvegicus" "alpidem" 134 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.64 "IC50" "CHEMBL" "=" "Rattus norvegicus" "alpidem" 134 "Translocator protein" "Unclassified" "P30536" "TSPO" "TSPO_HUMAN" 9.3 "Ki" "Inhibition of TSPO (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "alpidem" 134 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" "MoA - selective towards GABA-A alpha1 subunit" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22981367" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "alprazolam" 136 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 3.85 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "alprazolam" 136 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 5.457 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "alprazolam" 136 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 4.19 "IC50" "Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas" "CHEMBL" "=" "Rattus norvegicus" "alprazolam" 136 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 5.61 "Kd" "Binding affinity to BRD4-BD1 by isothermal titration calorimetry" "CHEMBL" "=" "Tchem" "Homo sapiens" "alprazolam" 136 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 7.432 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alprazolam" 136 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 7.921 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alprazolam" 136 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" 7.161 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alprazolam" 136 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL661" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alprenolol" 137 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.67 "Ki" "Displacement of [3H]-OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method" "CHEMBL" "=" "Tclin" "Homo sapiens" "alprenolol" 137 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.292 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "alprenolol" 137 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.86 "Kd" "Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "alprenolol" 137 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.93 "Ki" "CHEMBL" "=" "Rattus norvegicus" "alprenolol" 137 "Squalene synthase" "Enzyme" "Q02769" "Fdft1" "FDFT_RAT" 5.38 "IC50" "Inhibition of rat microsomal squalene synthase" "CHEMBL" "=" "Rattus norvegicus" "alprenolol" 137 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 8.53 "IC50" "Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes." "CHEMBL" "=" "Bos taurus" "alprenolol" 137 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.67 "Ki" "Displacement of [3H]-OH-DPAT from human recombinant 5-HT1A receptor measured after 60 mins by scintillation counter method" "CHEMBL" "=" "Tclin" "Homo sapiens" "alprenolol" 137 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.678 "Kd" "radioligand [3H]CGP12177 0.15nM competition binding; human recombinant beta-adrenoreceptors in Sf9 cells" "SCIENTIFIC LITERATURE" "=" 1 "KEGG DRUG" "https://pubmed.ncbi.nlm.nih.gov/12388666" "http://www.kegg.jp/entry/D01182" "ANTAGONIST" "Tclin" "Homo sapiens" "alprenolol" 137 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.658 "Kd" "radioligand [3H]CGP12177 0.15nM competition binding; human recombinant beta-adrenoceptors in Sf9 cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "https://pubmed.ncbi.nlm.nih.gov/12388666" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=563" "ANTAGONIST" "Tclin" "Homo sapiens" "alprostadil" 138 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 6.8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "AGONIST" "Tclin" "Homo sapiens" "alprostadil" 138 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "alprostadil" 138 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "alprostadil" 138 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL495" "AGONIST" "Tclin" "Homo sapiens" "alprostadil" 138 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 8.8 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "alprostadil" 138 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 7.3 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "alprostadil" 138 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 8.22 "Ki" "Affinity for mouse Prostanoid EP1 receptor expressed in CHO cells" "CHEMBL" "=" "Mus musculus" "alprostadil" 138 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 7.66 "Ki" "Affinity for mouse Prostanoid EP2 receptor expressed in CHO cells" "CHEMBL" "=" "Mus musculus" "alprostadil" 138 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 8.3 "Ki" "Binding affinity towards mouse Prostanoid EP3 receptor in CHO cells." "CHEMBL" "=" "Mus musculus" "alprostadil" 138 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P32240" "Ptger4" "PE2R4_MOUSE" 8.51 "Ki" "Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells" "CHEMBL" "=" "Mus musculus" "alprostadil" 138 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "alprostadil" 138 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P43114" "Ptger4" "PE2R4_RAT" 9.2 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "alprostadil" 138 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "alprostadil" 138 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "alprostadil" 138 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "alprostadil" 138 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "alprostadil" 138 "Prostacyclin receptor" "GPCR" "P43252" "Ptgir" "PI2R_MOUSE" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "alprostadil" 138 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P34980" "Ptger3" "PE2R3_RAT" 9.35 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "alprostadil" 138 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P70597" "Ptger1" "PE2R1_RAT" 7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "altretamine" 141 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.398 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "alvimopan" 143 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.398 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL270190" "ANTAGONIST" "Tclin" "Homo sapiens" "alvimopan" 143 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 7 "Ki" "Displacement of [3H]diprenorphine from human cloned kappa opioid receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "alvimopan" 143 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.92 "Ki" "Displacement of [3H]diprenorphine from human cloned delta opioid receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "alvimopan" 143 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 8.3 "Ki" "Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes" "CHEMBL" "=" "Cavia porcellus" "amantadine" 144 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.69 "Ki" "Binding affinity towards sigma receptor in guinea pig brain membrane was determined by using [3H]DTG as the radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "amantadine" 144 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.42 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "amantadine" 144 "Matrix protein 2" "Ion channel" "P63231" "M" "M2_I72A2" 4.8 "IC50" "Inhibition of wild type Influenza A virus (A/udorn/72(H3N2)) M2 channel expressed in Xenopus oocyte plasma membrane incubated for 2 mins measured over 48 to 72 hrs by two-electrode voltage clamp method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "INHIBITOR" "Influenza A virus (strain A/Udorn/307/1972 H3N2)" "amantadine" 144 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN2D|GRIN3B|GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN3A" "NMDE4_HUMAN|NMD3B_HUMAN|NMDZ1_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMD3A_HUMAN" 4.98 "Ki" "The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL660" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "amantadine" 144 "Matrix protein 2" "Unclassified" "Q20MD5" "M2" "Q20MD5_9INFA" 4.8 "IC50" "Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assay" "CHEMBL" "=" "Influenza A virus (A/udorn/1972(H3N2))" "amantadine" 144 "Matrix protein 2" "Unclassified" "P05778" "M" "M2_I000F" 6.5 "Kd" "Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectrophotometry" "CHEMBL" "=" "Influenza A virus" "amantadine" 144 "Matrix protein 2" "Unclassified" "P0DOF8" "M" "M2_I72A8" 6.18 "EC50" "Inhibition of wild type Influenza A virus (A/chicken/Hubei/327/2004(H5N1)) M2 expressed in yeast cells after 46 to 48 hrs" "CHEMBL" "=" "Influenza A virus" "ambenonium" 146 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action; CHEMBL220; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1652" "INHIBITOR" "Tclin" "Homo sapiens" "ambenonium" 146 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 4.34 "Kd" "Binding affinity to mouse AChE by equilibrium binding assay" "CHEMBL" "=" "Mus musculus" "ambenonium" 146 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 9.92 "IC50" "Inhibition of bovine AChE by Ellman's method" "CHEMBL" "=" "Bos taurus" "ambroxol" 147 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.744 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ambroxol" 147 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.254 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ambroxol" 147 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "ambroxol" 147 "Glucosylceramidase" "Enzyme" "P04062" "GBA" "GLCM_HUMAN" 5.39 "IC50" "Inhibition of beta-glucocerebrosidase in human fibroblast lysate using 4-methylumbelliferyl beta-D-glycopyranoside as substrate by fluorimetric analysis" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=10692" "Tclin" "Homo sapiens" "amcinonide" 150 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200732" "AGONIST" "Tclin" "Homo sapiens" "amidefrine" 155 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 4.72 "IC50" "50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "Rattus norvegicus" "amidefrine" 155 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 4.4 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.4 nM) to rat isolated brain membranes by 50% was reported." "CHEMBL" "=" "Rattus norvegicus" "amifostine" 156 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.184 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amifostine" 156 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "amikacin" 157 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 4.201 "Km" "WOMBAT-PK" "=" "Escherichia coli" "amiloride" 158 "Amiloride-sensitive sodium channel subunit alpha" "Ion channel" "P37088" "SCNN1A" "SCNNA_HUMAN" 6.11 "IC50" "Inhibition of dog bronchi prototypical epithelial sodium channel by electrophysiological assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "amiloride" 158 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 5.16 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amiloride" 158 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.48 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiloride" 158 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.408 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiloride" 158 "Sodium/hydrogen exchanger 1" "Transporter" "P19634" "SLC9A1" "SL9A1_HUMAN" 4.22 "IC50" "Inhibition of human wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride prepulse protocol" "CHEMBL" "=" "Tchem" "Homo sapiens" "amiloride" 158 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.24 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "amiloride" 158 "Acid-sensing ion channel 2" "Ion channel" "Q16515" "ASIC2" "ASIC2_HUMAN" 4.6 "IC50" "IUPHAR" "=" "BLOCKER" "Tbio" "Homo sapiens" "amiloride" 158 "Acid-sensing ion channel 1" "Ion channel" "P78348" "ASIC1" "ASIC1_HUMAN" 5 "IC50" "GRAC: human ASIC1 blocker" "CHEMBL" "=" "Tchem" "Homo sapiens" "amiloride" 158 "Membrane primary amine oxidase" "Enzyme" "O08590" "Aoc3" "AOC3_RAT" 5 "Ki" "Inhibitory activity against porcine kidney amine oxidase" "CHEMBL" "=" "Rattus norvegicus" "amiloride" 158 "Acid-sensing ion channel 3" "Ion channel" "Q9UHC3" "ASIC3" "ASIC3_HUMAN" 5.36 "IC50" "Inhibition of ASIC3 assessed as inhibition of peak current by patch clamp electrophysiology" "CHEMBL" "=" "Tchem" "Homo sapiens" "amiloride" 158 "Amiloride-sensitive sodium channel, ENaC" "Ion channel" "P37088|P51168|P51170" "SCNN1A|SCNN1B|SCNN1G" "SCNNA_HUMAN|SCNNB_HUMAN|SCNNG_HUMAN" 6.7 "IC50" "GRAC: human ENaC blocker" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL945" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "amiloride" 158 "Sodium/hydrogen exchanger" "Transporter" "Q9W6Q1" "NHE1" "Q9W6Q1_9SALA" 4.01 "IC50" "Inhibition of Amphiuma tridactylum wild type NHE1 expressed in chinese hamster AP1 cells assessed as intracellular pHi recovery by ammonium chloride prepulse protocol" "CHEMBL" "=" "Amphiuma tridactylum" "amiloride" 158 "Sodium/hydrogen exchanger 5" "Transporter" "Q14940" "SLC9A5" "SL9A5_HUMAN" 4.68 "Ki" "IUPHAR" "=" "INHIBITOR" "Homo sapiens" "amiloride" 158 "Sodium/hydrogen exchanger 1" "Transporter" "P26431" "Slc9a1" "SL9A1_RAT" 6 "Ki" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "amiloride" 158 "Sodium/hydrogen exchanger 2" "Transporter" "P50482" "SLC9A2" "SL9A2_RABIT" 6 "Ki" "Inhibition of rabbit NHE2" "CHEMBL" "=" "Oryctolagus cuniculus" "amiloride" 158 "Urokinase-type plasminogen activator" "Enzyme" "P06869" "Plau" "UROK_MOUSE" 5.64 "Ki" "Inhibition of mouse uPA using Z-Gly-Gly-Arg-AMC as substrate after 15 mins by fluorescence assay" "CHEMBL" "=" "Mus musculus" "amiloride" 158 "Acid-sensing ion channel 1" "Ion channel" "P55926" "Asic1" "ASIC1_RAT" 4.52 "IC50" "Inhibition of ASIC1 in Sprague-Dawley rat articular chondrocytes assessed as decrease in acid-induced intracellular calcium level by Fluo-3AM dye based laser scanning confocal microscopy" "CHEMBL" "=" "Rattus norvegicus" "aminoacridine" 160 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 6.36 "IC50" "Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry" "CHEMBL" "=" "Tchem" "Homo sapiens" "aminoacridine" 160 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.42 "Ki" "The competitive inhibitory activity against trypanothione reductase was evaluated from Lineweaver Burk plots" "CHEMBL" "=" "Trypanosoma cruzi" "aminoacridine" 160 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 6.36 "IC50" "Inhibition of recombinant human NQO2 expressed in Escherichia coli using DCPIP as substrate by spectrophotometry" "CHEMBL" "=" "Tchem" "Homo sapiens" "amineptine" 161 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6 "IC50" "Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "aminocaproic acid" 163 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 4.4 "IC50" "Binding affinity to full length Glu-plasminogen in human plasma assessed as inhibition of interaction with fibrin in presence of tPA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1046" "INHIBITOR" "Tclin" "Homo sapiens" "aminocaproic acid" 163 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1046" "INHIBITOR" "Tclin" "Homo sapiens" "aminoglutethimide" 164 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 5.11 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "INHIBITOR" "Tclin" "Homo sapiens" "aminoglutethimide" 164 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.73 "IC50" "Inhibition of Thromboxane-A synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "aminoglutethimide" 164 "Cholesterol side-chain cleavage enzyme, mitochondrial" "Enzyme" "P05108" "CYP11A1" "CP11A_HUMAN" "Mechanism of Action; CHEMBL2033; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL488" "INHIBITOR" "Tclin" "Homo sapiens" "aminoglutethimide" 164 "Aromatase" "Enzyme" "P22443" "Cyp19a1" "CP19A_RAT" 6.59 "EC50" "In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system." "CHEMBL" "=" "Rattus norvegicus" "aminoglutethimide" 164 "Cytochrome P450 11A1" "Enzyme" "P00189" "CYP11A1" "CP11A_BOVIN" 4.54 "IC50" "Inhibition of bovine adrenal desmolase" "CHEMBL" "=" "Bos taurus" "aminohippuric acid" 165 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 5.22 "Ki" "Inhibition of human Oat1 expressed in Drosophila S2 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "aminohippuric acid" 165 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.03 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "aminophenazone" 171 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "aminophenazone" 171 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "aminophenazone" 171 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "aminopicoline" 172 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 7.4 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "aminoquinuride" 174 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4 "IC50" "Inhibition of human MMP-9 after 60 mins by FRET assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "aminoquinuride" 174 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.51 "IC50" "Inhibition of human MMP-1 after 60 mins by FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "aminoquinuride" 174 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 6.3 "Ki" "Competitive inhibition of Bacillus anthracis lethal factor" "CHEMBL" "=" "Bacillus anthracis" "aminoquinuride" 174 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 5.14 "IC50" "Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assay" "CHEMBL" "=" "Clostridium botulinum" "amiodarone" 176 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "BLOCKER" "Tclin" "Homo sapiens" "amiodarone" 176 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.112 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.34 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.177 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 6.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL633" "BLOCKER" "Tclin" "Homo sapiens" "amiodarone" 176 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.3 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.912 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.647 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.989 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.231 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.674 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.045 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.23 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.387 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.984 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.201 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.743 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.168 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.296 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.968 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.498 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.701 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.004 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.207 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.176 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.549 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.398 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.284 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 4.791 "Ki" "DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Squalene monooxygenase" "Enzyme" "Q14534" "SQLE" "ERG1_HUMAN" 4.92 "IC50" "Inhibitory activity against Trypanosoma cruzi microsomal squalene synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.088 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.039 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Squalene synthase" "Enzyme" "P37268" "FDFT1" "FDFT_HUMAN" 5.1 "IC50" "Inhibitory activity against Trypanosoma cruzi glycosomal squalene synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 5.368 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.191 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.55 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "amiodarone" 176 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 5.46 "IC50" "Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1 dye reduction assay" "CHEMBL" "=" "Bacillus anthracis" "amiodarone" 176 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 5.347 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.407 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "amiodarone" 176 "B2 bradykinin receptor" "GPCR" "P30411" "BDKRB2" "BKRB2_HUMAN" 5.115 "Ki" "DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.879 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.05 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.967 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 4.943 "Ki" "DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amiodarone" 176 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.932 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "amiodarone" 176 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 7.21 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "amiodarone" 176 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.4 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "Trypanosoma cruzi" "amiodarone" 176 "THAP domain-containing protein 1" "Unclassified" "Q9NVV9" "THAP1" "THAP1_HUMAN" 6.19 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "amiodarone" 176 "Sodium channel protein type 5 subunit alpha" "Ion channel" "P15389" "Scn5a" "SCN5A_RAT" 5.7 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "amiodarone" 176 "Lysine-specific demethylase PHF2" "Enzyme" "O75151" "PHF2" "PHF2_HUMAN" 4.08 "IC50" "Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7C (PHD) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "amiodarone" 176 "Lysine-specific demethylase 5A" "Enzyme" "P29375" "KDM5A" "KDM5A_HUMAN" 4 "IC50" "Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from recombinant His6-tagged human KDM5A (PHD3) (1542 to 1660 residues) expressed in Escherichia coli 2(DE3)pLysS Rosetta competent cells preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "amiodarone" 176 "Lysine-specific demethylase 7A" "Enzyme" "Q6ZMT4" "KDM7A" "KDM7A_HUMAN" 4.1 "IC50" "Displacement of C-terminally biotinylated-H3K4me3 (1 to 21 residues) peptide from KDM7A (PHD-JmjC) (unknown origin) preincubated for 15 mins followed by peptide addition measured after 1 hr by luminescence-based AlphaScreen assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "amisulpride" 179 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.953 "Ki" "PDSP" "Tclin" "Homo sapiens" "amisulpride" 179 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.081 "Ki" "PDSP" "Tclin" "Homo sapiens" "amisulpride" 179 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.886 "Ki" "PDSP" "Tclin" "Homo sapiens" "amisulpride" 179 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.382 "Ki" "PDSP" "Tchem" "Homo sapiens" "amisulpride" 179 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.939 "Ki" "PDSP" "Tclin" "Homo sapiens" "amisulpride" 179 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.758 "Ki" "PDSP" "Tclin" "Homo sapiens" "amisulpride" 179 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.873 "Ki" "PDSP" "Tclin" "Homo sapiens" "amisulpride" 179 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.812 "Ki" "PDSP" "Tclin" "Homo sapiens" "amisulpride" 179 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.625 "Ki" "PDSP" "Tchem" "Homo sapiens" "amisulpride" 179 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amisulpride" 179 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.553 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11740949" "ANTAGONIST" "Tclin" "Homo sapiens" "amisulpride" 179 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.495 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11740949" "ANTAGONIST" "Tclin" "Homo sapiens" "amitriptyline" 180 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.8 "IC50" "Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.051 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.708 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.879 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.367 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "INHIBITOR" "Tclin" "Homo sapiens" "amitriptyline" 180 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.456 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL629" "INHIBITOR" "Tclin" "Homo sapiens" "amitriptyline" 180 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.721 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.96 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.05 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amitriptyline" 180 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.9 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.686 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.77 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amitriptyline" 180 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.3 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "amitriptyline" 180 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.14 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amitriptyline" 180 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.83 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "amitriptyline" 180 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.89 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.14 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.585 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "amitriptyline" 180 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.066 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5.51 "IC50" "Inhibition of human NaV1.2 alpha subunit expressed in CHOK1 cells at -65 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 6 "IC50" "Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.21 "Ki" "Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.252 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 4.22 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "amitriptyline" 180 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.77 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "amitriptyline" 180 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.377 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "amitriptyline" 180 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.771 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "amitriptyline" 180 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.7 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "amitriptyline" 180 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.7 "IC50" "CHEMBL" "=" "Rattus norvegicus" "amitriptyline" 180 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.07 "IC50" "In vitro inhibition of [14C]5-HT transporter uptake by rat brain slices" "CHEMBL" "=" "Rattus norvegicus" "amitriptyline" 180 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amitriptyline" 180 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 5.6 "IC50" "Inhibition of the NE [3H]norepinephrine uptake by rat brain slices In vitro" "CHEMBL" "=" "Rattus norvegicus" "amitriptyline" 180 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amitriptyline" 180 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "amitriptyline" 180 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amitriptyline" 180 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 10.7 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "Rattus norvegicus" "amitriptyline" 180 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amitriptyline" 180 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.854 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amitriptyline" 180 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 6.52 "IC50" "Inhibition of radioligand [3H]QNB binding to muscarinic acetylcholine receptor in the rat forebrain in the presence of zinc" "CHEMBL" "=" "Rattus norvegicus" "amitriptyline" 180 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "amitriptylinoxide" 181 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "amlexanox" 182 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6 "IC50" "Inhibition of substrate phosphorylation." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "amlexanox" 182 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6 "IC50" "Inhibition of substrate phosphorylation." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "amlexanox" 182 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.4 "EC50" "Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "amlexanox" 182 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" "Mechanism of Action; CHEMBL2093863; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "amlodipine" 183 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.646 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.871 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amlodipine" 183 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.63 "Ki" "Binding affinity against human Alpha-1a adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.26 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "amlodipine" 183 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.583 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.358 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.27 "Ki" "Binding affinity against human Alpha-1d adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.1 "Ki" "Binding affinity against human Alpha-1b adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "amlodipine" 183 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "BLOCKER" "Tclin" "Homo sapiens" "amlodipine" 183 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "amlodipine" 183 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "P54289" "CACNA2D1" "CA2D1_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1491" "BLOCKER" "Tclin" "Homo sapiens" "amlodipine" 183 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.507 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 6.4 "IC50" "Inhibition of TREK-1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "amlodipine" 183 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 8.7 "Ki" "Binding affinity against rat L-type calcium channel" "CHEMBL" "=" "Rattus norvegicus" "amlodipine" 183 "Potassium channel subfamily K member 2" "Ion channel" "Q8HY88" "Kcnk2" "Q8HY88_BOVIN" 6.37 "IC50" "Activation of bovine TREK1 expressed in AZT cells assessed as reduction in channel currents" "CHEMBL" "=" "Bos taurus" "amodiaquine" 186 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.62 "IC50" "Inhibition of human cloned ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "amodiaquine" 186 "Histamine N-methyltransferase" "Enzyme" "P50135" "HNMT" "HNMT_HUMAN" 7.72 "Ki" "Inhibition of histamine N-methyltransferase by radiochemical assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "amodiaquine" 186 "Heparanase" "Enzyme" "Q9Y251" "HPSE" "HPSE_HUMAN" 4.28 "Kd" "Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "amodiaquine" 186 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 5.4 "IC50" "Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 40 residues) production measured after 24 hrs" "CHEMBL" "=" "Homo sapiens" "amoxapine" 191 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.708 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.796 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.307 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "amoxapine" 191 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.469 "IC50" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "INHIBITOR" "Tclin" "Homo sapiens" "amoxapine" 191 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.886 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1113" "INHIBITOR" "Tclin" "Homo sapiens" "amoxapine" 191 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.66 "Ki" "Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.75 "Ki" "Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.182 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.7 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "amoxapine" 191 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.3 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.593 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.734 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.959 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.542 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.03 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.423 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.616 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.211 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.336 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.365 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.47 "Ki" "Displacement of [3H]-YM09151-2 from human cloned dopamine D4 receptor expressed in insect Sf9 cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "amoxapine" 191 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.842 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.57 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amoxapine" 191 "Sodium- and chloride-dependent glycine transporter 2" "Transporter" "Q9Y345" "SLC6A5" "SC6A5_HUMAN" 4.036 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "amoxapine" 191 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.222 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "amoxapine" 191 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.45 "IC50" "CHEMBL" "=" "Rattus norvegicus" "amoxapine" 191 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amoxapine" 191 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amoxapine" 191 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amoxapine" 191 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "amoxapine" 191 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "amoxicillin" 192 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amoxicillin" 192 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amoxicillin" 192 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amoxicillin" 192 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "amoxicillin" 192 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1082" "INHIBITOR" "Escherichia coli (strain K12)" "amperozide" 193 "Fatty-acid amide hydrolase 1" "Enzyme" "O00519" "FAAH" "FAAH1_HUMAN" 6.34 "IC50" "Inhibition of human FAAH-mediated hydrolysis of [3H]AEA" "CHEMBL" "=" "Tchem" "Homo sapiens" "amperozide" 193 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.796 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "amfetamine" 195 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "amfetamine" 195 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.753 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "amfetamine" 195 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "RELEASING AGENT" "Tclin" "Homo sapiens" "amfetamine" 195 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "amfetamine" 195 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.936 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL405" "RELEASING AGENT" "Tclin" "Homo sapiens" "amfetamine" 195 "Cocaine- and amphetamine-regulated transcript protein" "Transcription factor" "Q16568" "CARTPT" "CART_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "amfetamine" 195 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.02 "IC50" "Inhibition of [3H]dopamine uptake at dopamine transporter expressed in rat striatal homogenate after 5 mins by scintillation counting analysis" "CHEMBL" "=" "Rattus norvegicus" "amfetamine" 195 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.91 "Ki" "Inhibition of MAOA in rat brain mitochondria" "CHEMBL" "=" "Rattus norvegicus" "amfetamine" 195 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6 "IC50" "Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "Mus musculus" "amfetamine" 195 "5-hydroxytryptamine receptor 2B" "GPCR" "P30994" "Htr2b" "5HT2B_RAT" 5.27 "Kd" "Affinity against serotonergic receptor in the isolated rat stomach fundus" "CHEMBL" "=" "Rattus norvegicus" "amfetamine" 195 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 4.35 "IC50" "Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "Mus musculus" "amfetamine" 195 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.7 "IC50" "Inhibition of [3H]norepinephrine uptake at NET expressed in rat hypothalamic homogenate containing synaptosomes after 5 mins by scintillation counting analysis" "CHEMBL" "=" "Rattus norvegicus" "amfetamine" 195 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b" "5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT" 5.27 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "Rattus norvegicus" "amfetamine" 195 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.12 "Ki" "Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "amfetamine" 195 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 4.37 "Ki" "Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand" "CHEMBL" "=" "Rattus norvegicus" "amfetamine" 195 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.222 "EC50" "(S) enantiomer activation of hTAAR1 in RD-HGA16 cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22037049" "AGONIST" "Tclin" "Homo sapiens" "ampicillin" 198 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "ampicillin" 198 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 4.09 "Kd" "Binding affinity to human recombinant Tie2 by SPR assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ampicillin" 198 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 4.72 "IC50" "GRAC: human TRPM4 blocker" "CHEMBL" "=" "Tchem" "Homo sapiens" "ampicillin" 198 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL174" "INHIBITOR" "Escherichia coli (strain K12)" "amprenavir" 200 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "amprenavir" 200 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "amprenavir" 200 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.172 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "amprenavir" 200 "Cathepsin D" "Enzyme" "P07339" "CTSD" "CATD_HUMAN" 4.82 "IC50" "Inhibition of human cathepsin D" "CHEMBL" "=" "Tchem" "Homo sapiens" "amprenavir" 200 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.4 "Ki" "Inhibition of HIV protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL116" "INHIBITOR" "Human immunodeficiency virus 1" "amprenavir" 200 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.44 "Ki" "Inhibition of HIV1 protease" "CHEMBL" "=" "Human immunodeficiency virus 1" "amprenavir" 200 "Protease" "Unclassified" "O90781" "HIV-1 protease" "O90781_9PLVG" 10.52 "Ki" "Inhibition of HIV1 protease I50V, A71V mutant by FRET assay" "CHEMBL" "=" "Human immunodeficiency virus" "amprenavir" 200 "Protease" "Unclassified" "Q9YQ30" "HIV-1 protease" "Q9YQ30_9PLVG" 9.82 "Ki" "Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus" "amrinone" 201 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 4.78 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12856" "INHIBITOR" "Tclin" "Homo sapiens" "amrinone" 201 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 4.09 "Ki" "Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as substrate after 60 to 90 mins in presence of ATP by fluorescence assay based Cheng-Prusoff equation analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "amrinone" 201 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 4.51 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "amrinone" 201 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.39 "IC50" "Inhibition of canine heart Phosphodiesterase 4" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "amsacrine" 203 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.68 "IC50" "Inhibition of human ERG potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "amsacrine" 203 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amsacrine" 203 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 5 "IC50" "Inhibition of human DNA topoisomerase 2-mediated Crithidia fasciculata kDNA decatenation using ethidium bromide staining by agarose gel electrophoresis" "CHEMBL" "=" "Tclin" "Homo sapiens" "amsacrine" 203 "DNA topoisomerase I, mitochondrial" "Enzyme" "Q969P6" "TOP1MT" "TOP1M_HUMAN" 7.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amsacrine" 203 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 7.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "amsacrine" 203 "DNA topoisomerase 2-beta" "Enzyme" "Q02880" "TOP2B" "TOP2B_HUMAN" 4.96 "EC50" "Inhibition of calf thymus DNA/ethidium bromide complex formation." "CHEMBL" "=" "Tchem" "Homo sapiens" "amsacrine" 203 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.3 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "amsacrine" 203 "DNA topoisomerase II" "Enzyme" "P11388|Q02880" "TOP2A|TOP2B" "TOP2A_HUMAN|TOP2B_HUMAN" 6.14 "EC50" "Tested for inhibition of topoisomerase II isolated from HeLa cells by DNA-cleavage assay" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "anagrelide" 209 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 7.27 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL760" "INHIBITOR" "Tclin" "Homo sapiens" "anagrelide" 209 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 4.47 "IC50" "Inhibition of human platelet PDE by inhibiting cyclic Guanosine monophosphate (cGMP) hydrolysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "anastrozole" 210 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.222 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1399" "INHIBITOR" "Tclin" "Homo sapiens" "androisoxazole" 213 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "androstenediol" 214 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.74 "IC50" "Binding affinity at human recombinant ERalpha" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstenediol" 214 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 6.64 "IC50" "Binding affinity at AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstenediol" 214 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8 "IC50" "Binding affinity at human recombinant ERbeta" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstenediol" 214 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "androstenediol" 214 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.17 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "androstenediol" 214 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.86 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "androstenedione" 215 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.7 "Ki" "Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstenedione" 215 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5.76 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "androstenedione" 215 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.46 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "androstenedione" 215 "Testosterone 17-beta-dehydrogenase 3" "Enzyme" "P37058" "HSD17B3" "DHB3_HUMAN" 6.31 "IC50" "Ability to inhibit the Type-3 17-beta- hydroxysteroid dehydrogenase activity transfected in human embryonic kidney (HEK)-293 cells experiment 3" "CHEMBL" "=" "Tchem" "Homo sapiens" "androstenedione" 215 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.89 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "androstenedione" 215 "Testosterone 17-beta-dehydrogenase 3" "Enzyme" "O54939" "Hsd17b3" "DHB3_RAT" 6.77 "IC50" "CHEMBL" "=" "Rattus norvegicus" "anecortave" 217 "Plasminogen activator inhibitor 1" "Secreted" "P05121" "SERPINE1" "PAI1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "anhydrovinblastine" 219 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "anhydrovinblastine" 219 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "anhydrovinblastine" 219 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "anhydrovinblastine" 219 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "anhydrovinblastine" 219 "Tubulin beta-4B chain" "Structural" "P68371" "TUBB4B" "TBB4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "anileridine" 220 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201347" "AGONIST" "Tclin" "Homo sapiens" "anisindione" 222 "Vitamin K-dependent gamma-carboxylase" "Enzyme" "P38435" "GGCX" "VKGC_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL712" "INHIBITOR" "Tclin" "Homo sapiens" "anisindione" 222 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.04 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "Rattus norvegicus" "octatropine methylbromide" 223 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1578" "ANTAGONIST" "Tclin" "Homo sapiens" "octatropine methylbromide" 223 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1578" "ANTAGONIST" "Tclin" "Homo sapiens" "antazoline" 224 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1305" "ANTAGONIST" "Tclin" "Homo sapiens" "antazoline" 224 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.14 "Kd" "Antagonist activity at H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced ileum contraction measured after 15 mins" "CHEMBL" "=" "Cavia porcellus" "dithranol" 226 "Arachidonate 12-lipoxygenase, 12R-type" "Enzyme" "O75342" "ALOX12B" "LX12B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "dithranol" 226 "5-lipoxygenase" "Enzyme" "Q9BEG3" "Q9BEG3_BOVIN" 4.43 "IC50" "Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL)." "CHEMBL" "=" "Bos taurus" "dithranol" 226 "NAD-dependent protein deacylase sirtuin-5, mitochondrial" "Enzyme" "Q9NXA8" "SIRT5" "SIR5_HUMAN" 7 "IC50" "Inhibition of SIRT5 (unknown origin) using GGQSLK[succ]FGKG as substrate after 30 mins" "CHEMBL" "=" "Tbio" "Homo sapiens" "dithranol" 226 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 6.64 "IC50" "High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleavage of the chromogenic peptide. In addition, the NINDS II library of 1040 compounds (MicroSource Discovery) was screened to identify hepsin inhibitors among established drugs and known bioactive molecules. Screens were performed in a 96-well format at a final compound concentration of 2 uM. To minimize false positives, positions 1 and 12 of each row contained DMSO/buffer controls. As a measure of reproducibility, the Z' score for this assay was 0.78 (Zhang et al., 1999 J Biomol Screen 4:67)." "CHEMBL" "=" "Tchem" "Homo sapiens" "dithranol" 226 "Trypsin" "Enzyme" "P00761" "TRYP_PIG" 5.9 "IC50" "High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Chembridge DIVERSet 10,000 compound high-diversity library was screened using an assay based on the cleavage of the chromogenic peptide. In addition, the NINDS II library of 1040 compounds (MicroSource Discovery) was screened to identify hepsin inhibitors among established drugs and known bioactive molecules. Screens were performed in a 96-well format at a final compound concentration of 2 uM. To minimize false positives, positions 1 and 12 of each row contained DMSO/buffer controls. As a measure of reproducibility, the Z' score for this assay was 0.78 (Zhang et al., 1999 J Biomol Screen 4:67)." "CHEMBL" "=" "Sus scrofa" "apomorphine" 228 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.34 "Ki" "Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "apomorphine" 228 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.21 "Ki" "Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53" "AGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.53 "Ki" "Binding affinity was measured on cloned Human 5-hydroxytryptamine 1A receptor which is labeled by [3H]8-OH-DPAT" "CHEMBL" "=" "Tclin" "Homo sapiens" "apomorphine" 228 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.7 "Ki" "PDSP" "Tclin" "Homo sapiens" "apomorphine" 228 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.59 "Ki" "Displacement of [3H]domperidone from human cloned dopamine D3 receptor expressed in mouse CCL1-3 cells by scintillation counting" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "apomorphine" 228 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.53 "Ki" "PDSP" "Tclin" "Homo sapiens" "apomorphine" 228 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.91 "Ki" "PDSP" "Tclin" "Homo sapiens" "apomorphine" 228 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "apomorphine" 228 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.05 "Ki" "Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane" "CHEMBL" "=" "AGONIST" "Tchem" "Homo sapiens" "apomorphine" 228 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.187 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "apomorphine" 228 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.17 "Ki" "PDSP" "Tclin" "Homo sapiens" "apomorphine" 228 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.68 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "apomorphine" 228 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.1 "EC50" "Calcium imaging, patch clamp" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "apomorphine" 228 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.74 "Ki" "Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.53 "Ki" "Ability to displace [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.73 "Ki" "Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]5-HT" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.28 "Ki" "Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 6.7 "Ki" "Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2" "CHEMBL" "=" "Bos taurus" "apomorphine" 228 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.44 "Ki" "Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in SF9 cells" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 8.82 "EC50" "In vitro effective concentration tested on HEK293 cells co-transfected with ferret Dopamine receptor D4 using FLIPR assay" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "D(1A) dopamine receptor" "GPCR" "Q61616" "Drd1" "DRD1_MOUSE" 7 "Ki" "Displacement of [3H]SCH23390 from dopamine D1 receptor in mouse Ltk- fibroblast cells" "CHEMBL" "=" "Mus musculus" "apomorphine" 228 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 5.35 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "apomorphine" 228 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 6.52 "IC50" "Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b" "5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT" 5.35 "IC50" "In vitro inhibitory activity against serotonin receptor from rat frontal cortex using [3H]spiperone as radioligand" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.2 "IC50" "Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD2|DRD1" "DRD2_BOVIN|DRD1_BOVIN" 9 "IC50" "Tested for binding to dopamine receptor using [3H]apomorphine as radioligand in calf caudate nucleus homogenates." "CHEMBL" "=" "Bos taurus" "apomorphine" 228 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 9 "IC50" "Inhibition of [3H]apomorphine binding to calf caudate membrane preparation (p4)" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.11 "IC50" "In vitro inhibitory activity against alpha-1 adrenergic receptor from whole rat brain using [3H]WB-4101 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "apomorphine" 228 "Mannose-6-phosphate isomerase" "Enzyme" "P34949" "MPI" "MPI_HUMAN" 4.84 "IC50" "PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ]" "CHEMBL" "=" "Tchem" "Homo sapiens" "apomorphine" 228 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.77 "EC50" "Inconclusive" "CHEMBL" "=" "Caenorhabditis elegans" "apomorphine" 228 "E3 ubiquitin-protein ligase Mdm2" "Nuclear other" "Q00987" "MDM2" "MDM2_HUMAN" 6.71 "IC50" "Inhibition of biotin-labelled D-p53 binding to D-MDM2 (25 to 109 residues) (unknown origin) by FAM labeled P4 peptide based fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "apraclonidine" 229 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.54 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "AGONIST" "Tclin" "Homo sapiens" "apraclonidine" 229 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.938 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "AGONIST" "Tclin" "Homo sapiens" "apraclonidine" 229 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.52 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2C adrenergic receptor from cloned human C-2 receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL647" "AGONIST" "Tclin" "Homo sapiens" "apraclonidine" 229 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.32 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2B adrenergic receptor from cloned rat RNG receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" "Rattus norvegicus" "apraclonidine" 229 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1D|ADRA1A|ADRA1B" "ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" 6.74 "Ki" "Compound was tested for binding affinity based on dissociation constant of Alpha-1 adrenergic receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "aprepitant" 230 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "aprepitant" 230 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 10.7 "Ki" "GRAC: human NK1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1471" "ANTAGONIST" "Tclin" "Homo sapiens" "aprepitant" 230 "Neuromedin-K receptor" "GPCR" "P29371" "TACR3" "NK3R_HUMAN" 6.34 "Ki" "Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "aprepitant" 230 "Substance-P receptor" "GPCR" "Q5DUB1" "TACR1" "NK1R_MERUN" 10.05 "IC50" "CHEMBL" "=" "Meriones unguiculatus" "aprindine" 231 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "aprindine" 231 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "aprindine" 231 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7.757 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aprindine" 231 "Proteasome subunit alpha type-1" "Enzyme" "P25786" "PSMA1" "PSA1_HUMAN" 5.398 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aprindine" 231 "Sodium/calcium exchanger 1" "Transporter" "P32418" "SLC8A1" "NAC1_HUMAN" 4.301 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "aprindine" 231 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.359 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aprindine" 231 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 4.745 "ID50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6186851" "INHIBITOR" "Tclin|Tclin|Tclin" "Homo sapiens" "aranidipine" 234 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01562" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "arbutamine" 237 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8723169" "https://pubmed.ncbi.nlm.nih.gov/8723169" "AGONIST" "Tclin" "Homo sapiens" "argatroban" 239 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.398 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1166" "INHIBITOR" "Tclin" "Homo sapiens" "argatroban" 239 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 4.28 "Ki" "Inhibition of human factor 10a" "CHEMBL" "=" "Tclin" "Homo sapiens" "argatroban" 239 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" 4.06 "Ki" "Inhibition of human t-PA" "CHEMBL" "=" "Tclin" "Homo sapiens" "argatroban" 239 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 5.54 "Ki" "Inhibition of bovine trypsin" "CHEMBL" "=" "Bos taurus" "argatroban" 239 "Prothrombin" "Enzyme" "P00735" "F2" "THRB_BOVIN" 8.02 "Ki" "Inhibitory activity against thrombin." "CHEMBL" "=" "Bos taurus" "aripiprazole" 242 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.851 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.788 "Ki" "PDSP" "Tclin" "Homo sapiens" "aripiprazole" 242 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.06 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.71 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "aripiprazole" 242 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.131 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.22 "Ki" "Displacement of [3H]dofetilide from human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.11 "IC50" "Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "aripiprazole" 242 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.83 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.68 "Ki" "PDSP" "Tclin" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1112" "ANTAGONIST" "Tclin" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.444 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.36 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.51 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.69 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.244 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.991 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.53 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.681 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "aripiprazole" 242 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.215 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.169 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.455 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.33 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.818 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.633 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.421 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.492 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.202 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.463 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.906 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.097 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "aripiprazole" 242 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7 "Ki" "CHEMBL" "=" "Cavia porcellus" "aripiprazole" 242 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.1 "Ki" "Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "aripiprazole" 242 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.4 "Ki" "Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus homogenate" "CHEMBL" "=" "Rattus norvegicus" "aripiprazole" 242 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.97 "Ki" "Displacement of [3H]-citalopram from SERT in rat cerebral cortex after 1 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "aripiprazole" 242 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.15 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor in Wistar rat cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "aripiprazole" 242 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "aripiprazole" 242 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 9.1 "Ki" "Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "aripiprazole" 242 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.59 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aripiprazole" 242 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.42 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aripiprazole" 242 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "aripiprazole" 242 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "aripiprazole" 242 "Histone H1.0" "Nuclear other" "P07305" "H1F0" "H10_HUMAN" 7.55 "Ki" "Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors." "CHEMBL" "=" "Homo sapiens" "aripiprazole" 242 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "arsenic trioxide" 244 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.824 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "arsenic trioxide" 244 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" "Mechanism of Action; CHEMBL1927; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200978" "INHIBITOR" "Tclin" "Homo sapiens" "astemizole" 249 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.312 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "astemizole" 249 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 4.998 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.218 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.698 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.822 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.741 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.025 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 9.046 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.481 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.05 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.155 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.865 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.359 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.253 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.126 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.027 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.819 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.756 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.83 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.781 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.1 "Ki" "Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.59 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.3 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.75 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.587 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.297 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.219 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.545 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.101 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.784 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "astemizole" 249 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.671 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.004 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.018 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.577 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "astemizole" 249 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.38 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" "astemizole" 249 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.34 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 5.39 "Ki" "Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.218 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.065 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.701 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.546 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.883 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.002 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 6.7 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "astemizole" 249 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.022 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "astemizole" 249 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.201 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "astemizole" 249 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.87 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "astemizole" 249 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.673 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.868 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.733 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "astemizole" 249 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.62 "IC50" "CHEMBL" "=" "Rattus norvegicus" "astemizole" 249 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.12 "IC50" "CHEMBL" "=" "Rattus norvegicus" "astemizole" 249 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.58 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Protein farnesyltransferase" "Enzyme" "P29702|P49355" "FNTA|FNTB" "FNTA_BOVIN|FNTB_BOVIN" 8.7 "IC50" "Inhibit of purified bovine Farnesyl protein transferase." "CHEMBL" "=" "Bos taurus" "astemizole" 249 "Polycomb protein EED" "Unclassified" "O75530" "EED" "EED_HUMAN" 4.03 "IC50" "CHEMBL" "=" "Tbio" "Homo sapiens" "astemizole" 249 "HLA class I histocompatibility antigen, A-3 alpha chain" "Unclassified" "P04439" "HLA-A" "1A03_HUMAN" 5.6 "Kd" "Binding affinity to human biotinylated HLA-A2 by surface plasmon resonance assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "astemizole" 249 "Transmembrane protein 97" "Enzyme" "Q5BJF2" "TMEM97" "TMM97_HUMAN" 7.02 "Ki" "Displacement of [3H]-DTG from the Sigma2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "astemizole" 249 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.58 "A2" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6114717" "ANTAGONIST" "Tclin" "Homo sapiens" "asulacrine" 252 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "atazanavir" 254 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.629 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "atazanavir" 254 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.17 "IC50" "Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "atazanavir" 254 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.921 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "atazanavir" 254 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.921 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "atazanavir" 254 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 8.575 "Ki" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "atazanavir" 254 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 9.62 "Ki" "Inhibition constant for human immunodeficiency virus type 1 protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1163" "INHIBITOR" "Human immunodeficiency virus 1" "atazanavir" 254 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.59 "IC50" "The percent reduction of the reverse transcriptase (RT) activity in HIV-1/MN-infected MT-2 cells." "CHEMBL" "=" "Human immunodeficiency virus 1" "atazanavir" 254 "UDP-glucuronosyltransferase 1-1" "Enzyme" "P22309" "UGT1A1" "UD11_HUMAN" 5.721 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "atazanavir" 254 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 8.4 "IC50" "Inhibition of wild type C-South African Human immunodeficiency virus 1 protease using chromogenic peptide H-1048 as substrate by UV spectrophotometric analysis" "CHEMBL" "=" "Human immunodeficiency virus 1" "atazanavir" 254 "Protease" "Unclassified" "O90781" "HIV-1 protease" "O90781_9PLVG" 10.27 "Ki" "Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus" "atazanavir" 254 "Protease" "Unclassified" "Q9YQ30" "HIV-1 protease" "Q9YQ30_9PLVG" 10.12 "Ki" "Inhibition of HIV1 recombinant protease L10I/I15V/E35D/N37S/R41K/I62V/L63P/A71V/G73S/L90M mutant expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus" "atenolol" 255 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL24" "ANTAGONIST" "Tclin" "Homo sapiens" "atenolol" 255 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.8 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "atenolol" 255 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.75 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "atenolol" 255 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "CHEMBL" "=" "Rattus norvegicus" "atenolol" 255 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.93 "Kd" "In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha" "CHEMBL" "=" "Cavia porcellus" "atenolol" 255 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 7.62 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "Cavia porcellus" "atomoxetine" 256 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.68 "IC50" "Inhibition of human ERG expressed in HEK293 cells by patch-clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "atomoxetine" 256 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.05 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT" "CHEMBL" "=" "Tclin" "Homo sapiens" "atomoxetine" 256 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.69 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL641" "INHIBITOR" "Tclin" "Homo sapiens" "atomoxetine" 256 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.97 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT" "CHEMBL" "=" "Tclin" "Homo sapiens" "atomoxetine" 256 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.77 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "atomoxetine" 256 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48051" "KCNJ6" "KCNJ6_HUMAN" 4.282 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "atomoxetine" 256 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.37 "Ki" "Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "atomoxetine" 256 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.85 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "atomoxetine" 256 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 9.15 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "atomoxetine" 256 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 8.4 "Ki" "Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry" "CHEMBL" "=" "Rattus norvegicus" "atomoxetine" 256 "Kir3.1/Kir3.2" "Ion channel" "P48051|P48549" "KCNJ6|KCNJ3" "KCNJ6_HUMAN|KCNJ3_HUMAN" 4.478 "IC50" "WOMBAT-PK" "=" "Tbio|Tchem|Tbio|Tchem" "Homo sapiens" "atomoxetine" 256 "Kir3.1/Kir3.4" "Ion channel" "P48544|P48549" "KCNJ5|KCNJ3" "KCNJ5_HUMAN|KCNJ3_HUMAN" 4.845 "IC50" "WOMBAT-PK" "=" "Tbio|Tbio|Tbio|Tbio" "Homo sapiens" "atomoxetine" 256 "Krueppel-like factor 10" "Nuclear other" "Q13118" "KLF10" "KLF10_HUMAN" 4 "IC50" "CHEMBL" "=" "Tbio" "Homo sapiens" "atorvastatin" 257 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "atorvastatin" 257 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.29 "IC50" "Inhibition of CYP3A4 in human liver microsome" "CHEMBL" "=" "Tclin" "Homo sapiens" "atorvastatin" 257 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 8 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1487" "INHIBITOR" "Tclin" "Homo sapiens" "atorvastatin" 257 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.65 "IC50" "Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "atorvastatin" 257 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 4.93 "IC50" "Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "atorvastatin" 257 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 4.84 "IC50" "Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "atorvastatin" 257 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.42 "IC50" "Inhibition of rat microsomal HMGCoA reductase" "CHEMBL" "=" "Rattus norvegicus" "atorvastatin" 257 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "Q1W675" "HMGCR" "HMDH_PIG" 4.49 "IC50" "CHEMBL" "=" "Sus scrofa" "atovaquone" 258 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 5.03 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "atovaquone" 258 "Ubiquinol-cytochrome-c reductase complex core protein I, mitochondrial" "Enzyme" "P43264" "QCR1_EUGGR" "WOMBAT-PK" "Euglena gracilis" "atovaquone" 258 "Cytochrome b" "Enzyme" "Q02768" "MT-CYB" "CYB_PLAFA" "Mechanism of Action; CHEMBL1777; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1450" "INHIBITOR" "Plasmodium falciparum" "atovaquone" 258 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q63707" "Dhodh" "PYRD_RAT" 6.15 "IC50" "Inhibition of rat purified recombinant DHODH" "CHEMBL" "=" "Rattus norvegicus" "atovaquone" 258 "Dihydroorotate dehydrogenase" "Enzyme" "Q54A96" "dhod" "Q54A96_PLAFA" 4.57 "Ki" "Inhibition of plasmodium falciparum DHODH assessed as inhibition of [14C]bicarbonate incorporation into pyrimidine nucleotide by HPLC analysis" "CHEMBL" "=" "Plasmodium falciparum" "atracurium" 259 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "atracurium" 259 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 8.25 "IC50" "Antagonism of ACh activation of human &alpha7 nACh receptors expressed in Xenopus oocytes, at different ACh concentrations." "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "atracurium" 259 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "P70605" "Kcnn3" "KCNN3_RAT" 5.23 "Ki" "Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "atracurium" 259 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.77 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1360" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "atracurium" 259 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 9.05 "IC50" "Antagonism of ACh activation of human &alpha3&beta2 or &alpha3&beta4 nACh receptors expressed in Xenopus oocytes, at different ACh concentrations." "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "atracurium" 259 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P43681" "CHRNA4" "ACHA4_HUMAN" 8.1 "IC50" "Antagonism of ACh activation of human &alpha4&beta2 nACh receptors expressed in Xenopus oocytes, at different ACh concentrations." "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "atropine" 260 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 4.85 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "atropine" 260 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.155 "Ki" "PDSP" "Tclin" "Homo sapiens" "atropine" 260 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.276 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "atropine" 260 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.907 "Ki" "PDSP" "Tclin" "Homo sapiens" "atropine" 260 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.31 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "ANTAGONIST" "Tclin" "Homo sapiens" "atropine" 260 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.97 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "ANTAGONIST" "Tclin" "Homo sapiens" "atropine" 260 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517712" "ANTAGONIST" "Tclin" "Homo sapiens" "atropine" 260 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.39 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "atropine" 260 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.29 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "atropine" 260 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.177 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "atropine" 260 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.91 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "atropine" 260 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 9.15 "Ki" "Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium" "CHEMBL" "=" "Rattus norvegicus" "atropine" 260 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.59 "Ki" "Ability to displace [3H]pirenzepine (PZ) from M1 receptor in rat cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "atropine" 260 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 9.46 "Ki" "Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue." "CHEMBL" "=" "Mus musculus" "atropine" 260 "Muscarinic acetylcholine receptor M2" "GPCR" "Q9ERZ4" "Chrm2" "ACM2_MOUSE" 9.46 "Ki" "Ability to displace [3H]oxotremorine ([3H]-OXO-M) from mouse cerebral cortex" "CHEMBL" "=" "Mus musculus" "atropine" 260 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.92 "Ki" "Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate" "CHEMBL" "=" "Rattus norvegicus" "atropine" 260 "Muscarinic receptor M1" "GPCR" "Q8WMX0" "Q8WMX0_BOVIN" 9.7 "Ki" "Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum" "CHEMBL" "=" "Bos taurus" "atropine" 260 "Muscarinic acetylcholine receptor M5" "GPCR" "P08911" "Chrm5" "ACM5_RAT" 9.07 "Ki" "Displacement of [3H]NMS from rat recombinant muscarinic M5 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "atropine" 260 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 9.28 "Ki" "Displacement of [3H]NMS from rat recombinant muscarinic M4 receptor expressed in CHO cells after 2 hrs by microplate scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "atropine" 260 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 8.99 "Kd" "Antagonist activity at muscarinic M3 receptor in guinea-pig ileum assessed as inhibition of carbachol-induced contractions after 15 mins" "CHEMBL" "=" "Cavia porcellus" "atropine" 260 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 4.49 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "Musca domestica" "atropine" 260 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 9.52 "Ki" "The compound was tested for inhibition of [3H]NMS binding against muscarinic acetylcholine receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "atropine" 260 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 8.99 "Kd" "Antagonist activity at muscarinic M3 receptor in guinea-pig ileum assessed as inhibition of carbachol-induced contractions after 15 mins" "CHEMBL" "=" "Cavia porcellus" "azapetine" 265 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.89 "IC50" "Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alpha-2 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "azapetine" 265 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.69 "IC50" "Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "azapropazone" 266 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "azapropazone" 266 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "azasetron" 267 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 9.268 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19967488" "https://pubmed.ncbi.nlm.nih.gov/19967488" "ANTAGONIST" "Tclin" "Homo sapiens" "azatadine" 268 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL946" "ANTAGONIST" "Tclin" "Homo sapiens" "azatadine" 268 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.41 "Ki" "Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "azathioprine" 269 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "azathioprine" 269 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "azathioprine" 269 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "azathioprine" 269 "Ras-related C3 botulinum toxin substrate 1" "Enzyme" "P63000" "RAC1" "RAC1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "azathioprine" 269 "Thiopurine S-methyltransferase" "Enzyme" "P51580" "TPMT" "TPMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "azelaic acid" 270 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "azelastine" 271 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7 "IC50" "Displacement of labeled dofetilide human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "azelastine" 271 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "azelastine" 271 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.7 "Ki" "Displacement of [3H]mesulergine from recombinant human 5-ht2B expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "azelastine" 271 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.3 "Ki" "Displacement of [3H]mesulergine from recombinant human 5-ht2C expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "azelastine" 271 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.3 "Ki" "Binding affinity to human adrenergic alpha1A receptor expressed in rat intact fibroblasts" "CHEMBL" "=" "Tclin" "Homo sapiens" "azelastine" 271 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.168 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL639" "ANTAGONIST" "Tclin" "Homo sapiens" "azelastine" 271 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.2 "IC50" "Displacement of [3H]AF-DX 384 from recombinant human M1 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "azelastine" 271 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.3 "Ki" "Binding affinity to human adrenergic Alpha-1B receptor expressed in rat intact fibroblasts" "CHEMBL" "=" "Tclin" "Homo sapiens" "azelastine" 271 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 6.83 "Ki" "Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "azelastine" 271 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.3 "Ki" "Displacement of [3H]prazosin from rat salivary gland adrenergic alpha1a receptor" "CHEMBL" "=" "Rattus norvegicus" "azelnidipine" 272 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01145" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "azimilide" 274 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.4 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "azimilide" 274 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "O08703" "KCNH2" "KCNH2_CAVPO" 6.74 "IC50" "Inhibition of ERG in guinea pig ventricular myocytes assessed as blockade of rapid delayed rectifier potassium current by whole cell patch-clamp technique" "CHEMBL" "=" "Cavia porcellus" "azimilide" 274 "Potassium voltage-gated channel subfamily KQT member 1" "Ion channel" "O70344" "KCNQ1" "KCNQ1_CAVPO" 6.62 "IC50" "Inhibition of KVLQT1/minK in guinea pig ventricular myocytes assessed as blockade of slow delayed rectifier potassium current by whole cell patch-clamp technique" "CHEMBL" "=" "Cavia porcellus" "azimilide" 274 "Potassium voltage-gated channel subfamily KQT member 1" "Ion channel" "P97414" "Kcnq1" "KCNQ1_MOUSE" 5.3 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "azithromycin" 276 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 3.39 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "azithromycin" 276 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.7 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "azithromycin" 276 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 4.16 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "azithromycin" 276 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 5.5 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "azlocillin" 277 "Penicillin-binding protein" "Enzyme" "Q07806|Q51504|Q51505|Q9X6V3|Q9X6V7|Q9X6W0" "mrcA|pbpB|pbpC|pbpA|dacA|ponB" "PBPA_PSEAE|Q51504_PSEAI|Q51505_PSEAI|Q9X6V3_PSEAI|Q9X6V7_PSEAI|Q9X6W0_PSEAI" "Mechanism of Action; CHEMBL2363020; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1537" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "aztreonam" 279 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 5.736 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "INHIBITOR" "Escherichia coli (strain K12)" "aztreonam" 279 "Penicillin-binding protein 1A" "Enzyme" "Q07806" "mrcA" "PBPA_PSEAE" 5.48 "IC50" "Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia coli BL21 (Gold cells)" "CHEMBL" "=" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "aztreonam" 279 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 5.317 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "INHIBITOR" "Escherichia coli (strain K12)" "aztreonam" 279 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 4.317 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL158" "INHIBITOR" "Escherichia coli (strain K12)" "aztreonam" 279 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 5.7 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "Citrobacter freundii" "aztreonam" 279 "Beta-lactamase" "Enzyme" "A4ZYU9" "blaACC-4" "A4ZYU9_ECOLX" 7.49 "IC50" "Inhibition of Escherichia coli beta-lactamase ACC4" "CHEMBL" "=" "Escherichia coli" "aztreonam" 279 "AmpC" "Unclassified" "Q83TT7" "ampC" "Q83TT7_ECOLX" 7.22 "IC50" "Inhibition of Escherichia coli ATCC 25922 AmpC" "CHEMBL" "=" "Escherichia coli" "aztreonam" 279 "Efflux transporter; SugE" "Transporter" "Q3S5C3" "sugE" "Q3S5C3_SALNE" 8.22 "IC50" "Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "Salmonella newport" "aztreonam" 279 "Beta-lactamase" "Enzyme" "Q48435" "bla LAT-2" "Q48435_KLEPN" 8.22 "IC50" "Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "Klebsiella pneumoniae" "aztreonam" 279 "Beta-lactamase" "Enzyme" "B2ZTR6" "B2ZTR6_ACIBA" 8.15 "Ki" "Activity of Acinetobacter baumannii ADC-33 beta-lactamase" "CHEMBL" "=" "Acinetobacter baumannii" "aztreonam" 279 "Beta-lactamase" "Enzyme" "D6NSM8" "ampC" "D6NSM8_ACIBA" 5.52 "Ki" "Activity of Acinetobacter baumannii ADC-11 beta-lactamase" "CHEMBL" "=" "Acinetobacter baumannii" "bacampicillin" 280 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1583" "INHIBITOR" "Escherichia coli (strain K12)" "bacitracin" 281 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.269 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bacitracin" 281 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.716 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bacitracin" 281 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.868 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "bacitracin" 281 "Undecaprenyl-diphosphatase" "Unclassified" "P60932" "uppP" "UPPP_ECOLI" 5.25 "IC50" "Inhibition of Escherichia coli UPPP expressed in Escherichia coli C41(DE3) using FPP as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by malachite green assay" "CHEMBL" "=" "Escherichia coli" "baclofen" 282 "GABA B receptor" "GPCR" "O88871|Q9Z0U4" "Gabbr2|Gabbr1" "GABR2_RAT|GABR1_RAT" 7.52 "IC50" "In vitro displacement of [3H]GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "baclofen" 282 "GABA-B receptor" "GPCR" "O75899|Q9UBS5" "GABBR2|GABBR1" "GABR2_HUMAN|GABR1_HUMAN" 7.46 "IC50" "Inhibition of [3H]-baclofen binding to Gamma-aminobutyric acid type B receptor of cat cerebellum" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL701" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "baclofen" 282 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.3 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "baclofen" 282 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 7.52 "IC50" "Displacement of [3H]GABA from Gamma-aminobutyric acid A (GABA-A) receptor in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "balsalazide" 284 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201346" "INHIBITOR" "Tclin" "Homo sapiens" "balsalazide" 284 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201346" "INHIBITOR" "Tclin" "Homo sapiens" "balsalazide" 284 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "Mechanism of Action; CHEMBL215; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201346" "INHIBITOR" "Tclin" "Homo sapiens" "balsalazide" 284 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" "Mechanism of Action; CHEMBL235; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201346" "AGONIST" "Tclin" "Homo sapiens" "bambuterol" 285 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bambuterol" 285 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bambuterol" 285 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 3.25 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bambuterol" 285 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 8.5 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "bambuterol" 285 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.92 "IC50" "Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after 5 mins by Ellman's method" "CHEMBL" "=" "Equus caballus" "bamipine" 288 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07197" "ANTAGONIST" "Tclin" "Homo sapiens" "barnidipine" 290 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07494" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "beclometasone dipropionate" 294 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.427 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200500" "AGONIST" "Tclin" "Homo sapiens" "beclometasone dipropionate" 294 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 4.57 "IC50" "Inhibition of interleukin-5" "CHEMBL" "=" "Tclin" "Homo sapiens" "beclometasone dipropionate" 294 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 8.32 "EC50" "Induction of nuclear translocation of human recombinant ProLabel-tagged mineralocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence method" "CHEMBL" "=" "Tclin" "Homo sapiens" "beclometasone dipropionate" 294 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 7.55 "IC50" "Displacement of fluormone labelled PL Red from human recombinant progesterone receptor after 1 to 6 hrs ligand by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "beclometasone dipropionate" 294 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.7 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "CHEMBL" "=" "Tchem" "Homo sapiens" "beclometasone dipropionate" 294 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.96 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "CHEMBL" "=" "Rattus norvegicus" "beclometasone dipropionate" 294 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.57 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "CHEMBL" "=" "Bos taurus" "beclometasone dipropionate" 294 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.54 "IC50" "Steroid binding against the rat thymus glucocorticoid receptor" "CHEMBL" "=" "Rattus norvegicus" "beclometasone dipropionate" 294 "Probable G-protein coupled receptor 97" "GPCR" "Q86Y34" "ADGRG3" "AGRG3_HUMAN" 8.5 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "beclometasone dipropionate" 294 "Interleukin-5" "Unclassified" "P04401" "Il5" "IL5_MOUSE" 4.58 "IC50" "Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay" "CHEMBL" "=" "Mus musculus" "beclometasone dipropionate" 294 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 7.55 "IC50" "Displacement of fluormone labelled PL Red from human recombinant progesterone receptor after 1 to 6 hrs ligand by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "belotecan" 296 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 6.561 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9875499" "https://pubmed.ncbi.nlm.nih.gov/9875499" "INHIBITOR" "Tclin" "Homo sapiens" "benazepril" 299 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 6.51 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL838" "INHIBITOR" "Tclin" "Homo sapiens" "benazepril" 299 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.7 "IC50" "Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)" "CHEMBL" "=" "Oryctolagus cuniculus" "benazepril" 299 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 8.77 "IC50" "In vitro inhibitory activity against Angiotensin I converting enzyme" "CHEMBL" "=" "Rattus norvegicus" "bendamustine" 302 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 8.05 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "bendamustine" 302 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 7.77 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "bendamustine" 302 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 7.6 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "bendamustine" 302 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 8.22 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "bendamustine" 302 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 6.97 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "bendamustine" 302 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.14 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "bendroflumethiazide" 305 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bendroflumethiazide" 305 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 8.3 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1684" "INHIBITOR" "Tclin" "Homo sapiens" "bendroflumethiazide" 305 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bendroflumethiazide" 305 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bendroflumethiazide" 305 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benoxaprofen" 311 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D03080" "INHIBITOR" "Tclin" "Homo sapiens" "benoxaprofen" 311 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4 "IC50" "CHEMBL" "=" "Rattus norvegicus" "benperidol" 312 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 10.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "benperidol" 312 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.94 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "benperidol" 312 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.47 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "benperidol" 312 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "benperidol" 312 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 10.18 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "benperidol" 312 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "diphenidol" 313 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.96 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.967 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.131 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.105 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.108 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL936" "ANTAGONIST" "Tclin" "Homo sapiens" "diphenidol" 313 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.562 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.284 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.42 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.068 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.486 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenidol" 313 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.579 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "diphenidol" 313 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.47 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "benserazide" 314 "Aromatic-L-amino-acid decarboxylase" "Enzyme" "P20711" "DDC" "DDC_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benserazide" 314 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.52 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "benserazide" 314 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 6.95 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "benserazide" 314 "SUMO-activating enzyme" "Enzyme" "Q9UBE0|Q9UBT2" "SAE1|UBA2" "SAE1_HUMAN|SAE2_HUMAN" 4.63 "IC50" "PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2011, AID2018, AID2069, AID2614, AID2658]" "CHEMBL" "=" "Tbio|Tbio|Tbio|Tbio" "Homo sapiens" "benserazide" 314 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.43 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "benserazide" 314 "Genome polyprotein [Cleaved into: P1; Capsid protein VP0" "Unclassified" "P03313" "" "POLG_CXB3N" 5.62 "IC50" "Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-EALFQGPPVK-DNP-rrr-NH2 as substrate measured every 10 mins for 2 hrs by FRET-based enzyme assay" "CHEMBL" "=" "Coxsackievirus B3" "benserazide" 314 "Hexokinase-2" "Kinase" "P52789" "HK2" "HXK2_HUMAN" 5.26 "IC50" "Inhibition of HK2 (unknown origin) using glucose-6-phosphate dehydrogenase as substrate preincubated for 10 mins followed by substrate addition" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzarone" 317 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 5.55 "IC50" "Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "benzarone" 317 "Eyes absent homolog 3" "Enzyme" "Q99504" "EYA3" "EYA3_HUMAN" 4.77 "IC50" "Inhibition of poly-histidine and GST-tagged full length human Eya3 isoform 2 (127 to 573 residues) using para-nitrophenol phosphate substrate incubated for 30 mins" "CHEMBL" "=" "Tbio" "Homo sapiens" "benzbromarone" 318 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.94 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzbromarone" 318 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.53 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "benzbromarone" 318 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 6.72 "Ki" "Inhibition of human MRP1 expressed in Spodoptera frugiperda Sf9 cells assessed as inhibition of NEM-GS-induced vanadate-sensitive ATPase activity measured by generation of inorganic phosphate by spectrophotometry in presence of glutathione" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzbromarone" 318 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.796 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "benzbromarone" 318 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 7.32 "IC50" "Inhibition of 20-alpha HSD" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzbromarone" 318 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.27 "IC50" "Inhibition of PTP1B (unknown origin) by p-nitrophenylphosphate assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzbromarone" 318 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.976 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzbromarone" 318 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.908 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "benzbromarone" 318 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.711 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "benzbromarone" 318 "M1-family alanyl aminopeptidase" "Enzyme" "Q8IEK1" "Q8IEK1_PLAF7" 4.2 "IC50" "Active" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "benzbromarone" 318 "Envelope glycoprotein gp160" "Viral envelope protein" "Q75760" "env" "Q75760_9HIV1" 4.89 "IC50" "Active" "CHEMBL" "=" "Human immunodeficiency virus 1" "benzbromarone" 318 "Polymerase acidic protein" "Enzyme" "P03433" "PA" "PA_I34A1" 4.32 "Kd" "Binding affinity to PA cavity of recombinant Influenza A virus A/PR/8/34(H1N1) PA (239 to 716 residues) measured after 2 mins by SPR analysis" "CHEMBL" "=" "Tclin" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "benzbromarone" 318 "Eyes absent homolog 2" "Enzyme" "O00167" "EYA2" "EYA2_HUMAN" 4.99 "IC50" "Inhibition of human Eya2 catalytic domain by p-nitrophenylphosphate assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "benzbromarone" 318 "Eyes absent homolog 3" "Enzyme" "Q99504" "EYA3" "EYA3_HUMAN" 5.08 "IC50" "Inhibition of poly-histidine and GST-tagged full length human Eya3 isoform 2 (127 to 573 residues) using para-nitrophenol phosphate substrate incubated for 30 mins" "CHEMBL" "=" "Tbio" "Homo sapiens" "benzbromarone" 318 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 7.59 "IC50" "Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation counting" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/16135657" "INHIBITOR" "Tclin" "Homo sapiens" "benziodarone" 321 "Baculoviral IAP repeat-containing protein 5" "Unclassified" "O15392" "BIRC5" "BIRC5_HUMAN" 5.1 "Kd" "Binding affinity to human survivin expressed in Escherichia coli BL21 cells after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "benziodarone" 321 "Eyes absent homolog 3" "Enzyme" "Q99504" "EYA3" "EYA3_HUMAN" 5.47 "IC50" "Inhibition of poly-histidine and GST-tagged full length human Eya3 isoform 2 (127 to 573 residues) using para-nitrophenol phosphate substrate incubated for 30 mins" "CHEMBL" "=" "Tbio" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 11 subunit alpha" "Ion channel" "Q9UI33" "SCN11A" "SCNBA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 7 subunit alpha" "Ion channel" "Q01118" "SCN7A" "SCN7A_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzocaine" 323 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 3.495 "ED50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19661462" "https://pubmed.ncbi.nlm.nih.gov/12173241" "BLOCKER" "Tclin" "Homo sapiens" "benzonatate" 326 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benzphetamine" 329 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benzphetamine" 329 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3545985" "RELEASING AGENT" "Tclin" "Homo sapiens" "benzphetamine" 329 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benzphetamine" 329 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "Mechanism of Action; CHEMBL1893; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3545985" "INHIBITOR" "Tclin" "Homo sapiens" "benzquinamide" 331 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.32 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "benzquinamide" 331 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201250" "AGONIST" "Tclin" "Homo sapiens" "benzquinamide" 331 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.445 "Ki" "PDSP" "Tclin" "Homo sapiens" "benzquinamide" 331 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.241 "Ki" "PDSP" "Tchem" "Homo sapiens" "benzquinamide" 331 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.865 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22711801" "Tclin" "Homo sapiens" "benzquinamide" 331 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.161 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22711801" "Tclin" "Homo sapiens" "benzquinamide" 331 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.264 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22711801" "Tclin" "Homo sapiens" "benzthiazide" 332 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benzthiazide" 332 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 8.17 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201039" "INHIBITOR" "Tclin" "Homo sapiens" "benzthiazide" 332 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benzthiazide" 332 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benzthiazide" 332 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "benzatropine" 333 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.69 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.229 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.62 "IC50" "Binding affinity of [3H]citalopram for serotonin transporter in monkey" "CHEMBL" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.86 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.157 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.896 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.495 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.888 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "benzatropine" 333 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.523 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.654 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.926 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.636 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201203" "ANTAGONIST" "Tclin" "Homo sapiens" "benzatropine" 333 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.854 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "benzatropine" 333 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.959 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "benzatropine" 333 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.959 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "benzatropine" 333 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.553 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "benzatropine" 333 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.244 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.253 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.585 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzatropine" 333 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.387 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "benzatropine" 333 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.951 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "benzatropine" 333 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.85 "IC50" "CHEMBL" "=" "Rattus norvegicus" "benzatropine" 333 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.59 "Ki" "Affinity for rat M1 acetylcholine receptor using [3H]-AF DX 384 displacement." "CHEMBL" "=" "Rattus norvegicus" "benzatropine" 333 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.23 "Ki" "Displacement of [3H]pirenzepine binding at Muscarinic acetylcholine receptor M1 in rat brain P2 membranes." "CHEMBL" "=" "Rattus norvegicus" "benzatropine" 333 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.29 "Ki" "Binding affinity against serotonin transporter using [125]RTI-55" "CHEMBL" "=" "Rattus norvegicus" "benzatropine" 333 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.93 "Ki" "Displacement of [3H]WIN-35428 binding to the dopamine transporter in rat caudate putamen tissue." "CHEMBL" "=" "Rattus norvegicus" "benzatropine" 333 "Sodium-dependent neutral amino acid transporter B(0)AT1" "Transporter" "Q695T7" "SLC6A19" "S6A19_HUMAN" 4.36 "IC50" "IUPHAR" "=" "INHIBITOR" "Homo sapiens" "benzyl benzoate" 335 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.05 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "benzyl benzoate" 335 "Hormone-sensitive lipase" "Enzyme" "P15304" "Lipe" "LIPS_RAT" 5.96 "IC50" "Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay" "CHEMBL" "=" "Rattus norvegicus" "bepotastine" 341 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201758" "ANTAGONIST" "Tclin" "Homo sapiens" "bepridil" 342 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bepridil" 342 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.26 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bepridil" 342 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "O00555" "CACNA1A" "CAC1A_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tchem" "Homo sapiens" "bepridil" 342 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.149 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1008" "BLOCKER" "Tclin" "Homo sapiens" "bepridil" 342 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 5.32 "IC50" "Protection against Bacillus anthracis lethal toxin-mediated cytotoxicity in mouse RAW264.7 cells assessed as change in viability after 24 hrs by WST1 dye reduction assay" "CHEMBL" "=" "Bacillus anthracis" "bepridil" 342 "Potassium voltage-gated channel subfamily KQT member 4" "Ion channel" "P56696" "KCNQ4" "KCNQ4_HUMAN" 5 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "bepridil" 342 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 5.31 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bepridil" 342 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 4.66 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle." "CHEMBL" "=" "Oryctolagus cuniculus" "bepridil" 342 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.08 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "bepridil" 342 "Potassium channel subfamily T member 1" "Ion channel" "Q9Z258" "Kcnt1" "KCNT1_RAT" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "bepridil" 342 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1281221" "https://pubmed.ncbi.nlm.nih.gov/1281221" "BLOCKER" "Tclin" "Homo sapiens" "bepridil" 342 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1281221" "https://pubmed.ncbi.nlm.nih.gov/1281221" "BLOCKER" "Tclin" "Homo sapiens" "beraprost" 343 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.17 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "beraprost" 343 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.14 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "beraprost" 343 "Prostacyclin receptor" "GPCR" "P43252" "Ptgir" "PI2R_MOUSE" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "beraprost" 343 "Prostacyclin receptor" "GPCR" "P43253" "Ptgir" "PI2R_RAT" 7.72 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "beraprost" 343 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 8.37 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/Orphan_designation/2009/10/WC500005871.pdf" "AGONIST" "Tclin" "Homo sapiens" "betacarotene" 345 "Core protein" "Unclassified" "Q2Q167" "Q2Q167_9HEPC" 4.53 "IC50" "Not Active" "CHEMBL" "=" "Hepatitis C virus" "betahistine" 346 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 5.69 "Ki" "Binding affinity to rat histamine H3 receptor" "CHEMBL" "=" "Rattus norvegicus" "betahistine" 346 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 9.523 "EC50" "[125I]Iodoproxyfan binding to H3 receptors in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20530654" "https://pubmed.ncbi.nlm.nih.gov/20530654" "INVERSE AGONIST" "Tclin" "Homo sapiens" "betamethasone" 348 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.07 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL632" "AGONIST" "Tclin" "Homo sapiens" "betamethasone" 348 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "betamethasone acetate" 349 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200538" "AGONIST" "Tclin" "Homo sapiens" "betamethasone benzoate" 351 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200376" "AGONIST" "Tclin" "Homo sapiens" "betamethasone dipropionate" 353 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200384" "AGONIST" "Tclin" "Homo sapiens" "betamethasone dipropionate" 353 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.28 "IC50" "Competitive displacement of [3H]dexamethasone from glucocorticoid receptor of rat liver cytosol" "CHEMBL" "=" "Rattus norvegicus" "betamethasone valerate" 354 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1497" "AGONIST" "Tclin" "Homo sapiens" "betamipron" 355 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 4.62 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "betamipron" 355 "Solute carrier family 22 member 8" "Transporter" "Q8TCC7" "SLC22A8" "S22A8_HUMAN" 4.32 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "betaxolol" 356 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.8 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL423" "ANTAGONIST" "Tclin" "Homo sapiens" "betaxolol" 356 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.2 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "betaxolol" 356 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 6.98 "Kd" "In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tracheal chains contracted with PGF2-alpha" "CHEMBL" "=" "Cavia porcellus" "betaxolol" 356 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.18 "IC50" "Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes." "CHEMBL" "=" "Bos taurus" "betaxolol" 356 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 8.53 "Kd" "Antagonist activity at rat beta1 adrenoceptor" "CHEMBL" "=" "Rattus norvegicus" "betaxolol" 356 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 8.76 "Kd" "In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea pig atrial preparations" "CHEMBL" "=" "Cavia porcellus" "betazole" 357 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200949" "AGONIST" "Tclin" "Homo sapiens" "bethanechol" 358 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "bethanechol" 358 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1482" "AGONIST" "Tclin" "Homo sapiens" "bethanechol" 358 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 4.2 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1482" "AGONIST" "Tclin" "Homo sapiens" "bethanechol" 358 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "bethanechol" 358 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 4.9 "Kd" "Binding affinity to muscarinic M3 receptor in guinea-pig ileum" "CHEMBL" "=" "Cavia porcellus" "bethanechol" 358 "Muscarinic receptor 2" "GPCR" "Q8VH27" "GPM2" "Q8VH27_CAVPO" 6 "EC50" "Agonist activity at muscarinic M3 receptor in albino guinea pig ileum assessed as stimulation of electrically-induced response" "CHEMBL" "=" "Cavia porcellus" "betanidine" 359 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201260" "SUBSTRATE" "Tclin" "Homo sapiens" "bevantolol" 360 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2858236" "ANTAGONIST" "Tclin" "Homo sapiens" "bexarotene" 361 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.74 "Ki" "Selective activity towards retinoic acid receptor-alpha" "CHEMBL" "=" "Tclin" "Homo sapiens" "bexarotene" 361 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.52 "IC50" "Measured using a TR-FRET competitive displacement assay." "IUPHAR" "~" "ANTAGONIST" "Tclin" "Homo sapiens" "bexarotene" 361 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 7.85 "Kd" "Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RXR alpha" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "AGONIST" "Tclin" "Homo sapiens" "bexarotene" 361 "Retinoic acid receptor RXR-beta" "Nuclear hormone receptor" "P28702" "RXRB" "RXRB_HUMAN" 8.23 "Ki" "Selective activity towards retinoid X receptor-beta" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "AGONIST" "Tclin" "Homo sapiens" "bexarotene" 361 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" 8.08 "Ki" "Selective activity towards retinoid X receptor-gamma" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1023" "AGONIST" "Tclin" "Homo sapiens" "bexarotene" 361 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 7.3 "Ki" "Selective activity towards retinoic acid receptor-beta" "CHEMBL" "=" "Tclin" "Homo sapiens" "bexarotene" 361 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.89 "Ki" "Selective activity towards retinoic acid receptor-gamma" "CHEMBL" "=" "Tclin" "Homo sapiens" "bexarotene" 361 "Retinoic acid receptor RXR-beta" "Transcription factor" "P28704" "Rxrb" "RXRB_MOUSE" 7.68 "Kd" "Binding affinity to Retinoic acid receptor RXR-beta was determined in a competitive binding assay." "CHEMBL" "=" "Mus musculus" "bexarotene" 361 "Retinoic acid receptor RXR-gamma" "Transcription factor" "P28705" "Rxrg" "RXRG_MOUSE" 7.54 "Kd" "Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competitive binding assay." "CHEMBL" "=" "Mus musculus" "bexarotene" 361 "Retinoic acid receptor RXR-alpha" "Transcription factor" "P28700" "Rxra" "RXRA_MOUSE" 7.4 "EC50" "Transactivation of Gal4-LBD fused mouse RXRalpha (218 to 467) transfected in african green monkey CV1 cells assessed as luciferase activity at after 6 hrs by Dual-light chemiluminescent assay" "CHEMBL" "=" "Mus musculus" "bexarotene" 361 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "Q05343" "Rxra" "RXRA_RAT" 7.4 "EC50" "Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay" "CHEMBL" "=" "Rattus norvegicus" "bexarotene" 361 "Cytochrome P450 26A1" "Enzyme" "O43174" "CYP26A1" "CP26A_HUMAN" 4.87 "IC50" "Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addition measured after 1 min by HPLC analysis in presence of rat P450 reductase" "CHEMBL" "=" "Homo sapiens" "bexarotene" 361 "Cytochrome P450 26B1" "Enzyme" "Q9NR63" "CYP26B1" "CP26B_HUMAN" 5.23 "IC50" "Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addition measured after 5 mins by HPLC analysis in presence of rat P450 reductase" "CHEMBL" "=" "Homo sapiens" "bexarotene" 361 "Oxysterols receptor LXR-beta" "Nuclear other" "P55055" "NR1H2" "NR1H2_HUMAN" 6.36 "EC50" "Partial agonist activity at recombinant human GAL4-DBD-fused LXRbeta-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bexarotene" 361 "Oxysterols receptor LXR-alpha" "Nuclear other" "Q13133" "NR1H3" "NR1H3_HUMAN" 6.71 "EC50" "Partial agonist activity at recombinant human GAL4-DBD-fused LXRalpha-LBD expressed in HEK293T cells measured after 12 to 14 hrs by dual-glo luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bezafibrate" 362 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "bezafibrate" 362 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.3 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2668" "AGONIST" "Tclin" "Homo sapiens" "bezafibrate" 362 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.178 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bezafibrate" 362 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.45 "EC50" "Agonist activity at human PPARdelta expressed in HEK293 cells cotransfected with PPREx4-TK-luc assessed as activation of luciferase activity measured after 48 hrs by transactivation assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bezafibrate" 362 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 4.48 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "Tchem" "Homo sapiens" "bezafibrate" 362 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.35 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP low binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "Rattus norvegicus" "bezafibrate" 362 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2907502" "https://pubmed.ncbi.nlm.nih.gov/2907502" "INHIBITOR" "Tclin" "Homo sapiens" "biapenem" 365 "Penicillin-binding protein 2" "Enzyme" "Q9X6V3" "pbpA" "Q9X6V3_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" "biapenem" 365 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" "WOMBAT-PK" "Staphylococcus aureus" "biapenem" 365 "D-ala-D-ala-carboxypeptidase; D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase family protein; Penicillin-binding protein 5" "Enzyme" "Q9X6V7" "dacA" "Q9X6V7_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" "biapenem" 365 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" "biapenem" 365 "D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6" "Enzyme" "Q7CHG0" "dacC" "Q7CHG0_YERPE" "WOMBAT-PK" "Yersinia pestis" "bicalutamide" 367 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.72 "Ki" "Inhibition of human AR" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL409" "ANTAGONIST" "Tclin" "Homo sapiens" "bicalutamide" 367 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "bicalutamide" 367 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.85 "Ki" "Inhibition of rat AR" "CHEMBL" "=" "Rattus norvegicus" "bicalutamide" 367 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 6.17 "IC50" "Antiandrogen activity against androgen receptor in androgen-dependent mouse SC3 cells assessed as inhibition of testosterone-induced cell proliferation by WST1 assay" "CHEMBL" "=" "Mus musculus" "bicalutamide" 367 "Progesterone receptor" "Transcription factor" "P06186" "PGR" "PRGR_RABIT" 5.25 "IC50" "Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting" "CHEMBL" "=" "Oryctolagus cuniculus" "bicalutamide" 367 "Progesterone receptor" "Transcription factor" "Q63449" "Pgr" "PRGR_RAT" 5.14 "Ki" "Inhibition of rat PR" "CHEMBL" "=" "Rattus norvegicus" "bifemelane" 369 "Lethal(3)malignant brain tumor-like protein 1" "Unclassified" "Q9Y468" "L3MBTL1" "LMBL1_HUMAN" 4.04 "IC50" "Inhibition of L3MBTL1 by alpha-screening" "CHEMBL" "=" "Tchem" "Homo sapiens" "bifonazole" 370 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.1 "IC50" "In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute to the elimination of ATRA by catalyzing its 4-hydroxylation in the mammalian liver and skin, including that of humans as well as swine. Applicant evaluated the potential RAMBA activity of several azoles using pig liver microsomes, a rich source of CYP activity, comprising many different CYP 450 isoforms. Therefore, this approach, while a reasonable way to assess CYP inhibitors with broad activities may or may not be the best way to discover RAMBAs with selectivity for the skin, which has a much more narrow complement of CYP expression. As understanding in this area has progressed, a more specific CYP inhibition assay can be used to provide better predictivity of activity in human skin. Nevertheless, this assay may still be used as a general predictor of overall CYP activity." "CHEMBL" "=" "Tclin" "Homo sapiens" "bifonazole" 370 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 7.25 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "Tclin" "Homo sapiens" "bifonazole" 370 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 6.47 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bifonazole" 370 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.64 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "bimatoprost" 371 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 5.3 "IC50" "Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90) (" "CHEMBL" "=" "Tchem" "Homo sapiens" "bimatoprost" 371 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200963" "AGONIST" "Tclin" "Homo sapiens" "biotin" 373 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 5.6 "EC50" "PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442]" "CHEMBL" "=" "Tchem" "Homo sapiens" "biperiden" 374 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.32 "Kd" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1101" "ANTAGONIST" "Tclin" "Homo sapiens" "biperiden" 374 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.2 "Kd" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "biperiden" 374 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.41 "Kd" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "biperiden" 374 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.62 "Kd" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "biperiden" 374 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.201 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "biperiden" 374 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "bisacodyl" 375 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.756 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bisacodyl" 375 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.011 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bisacodyl" 375 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bisantrene" 376 "NAD(P)H dehydrogenase [quinone] 1" "Enzyme" "P15559" "NQO1" "NQO1_HUMAN" 4.6 "IC50" "Inhibition of human recombinant NQO1" "CHEMBL" "=" "Tchem" "Homo sapiens" "bisoprolol" 380 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.65 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL645" "ANTAGONIST" "Tclin" "Homo sapiens" "bisoprolol" 380 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.94 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bisoprolol" 380 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.04 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bisoprolol" 380 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 8.28 "Ki" "Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes" "CHEMBL" "=" "Mus musculus" "bisoprolol" 380 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 8.28 "Ki" "Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes" "CHEMBL" "=" "Mus musculus" "bisulepine" 383 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07532" "ANTAGONIST" "Tclin" "Homo sapiens" "bitolterol" 384 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "Mechanism of Action; CHEMBL210; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201295" "AGONIST" "Tclin" "Homo sapiens" "bivalirudin" 385 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 8.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103749" "INHIBITOR" "Tclin" "Homo sapiens" "blonanserin" 388 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.54 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "blonanserin" 388 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.25 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "blonanserin" 388 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.854 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15686911" "https://pubmed.ncbi.nlm.nih.gov/15686911" "ANTAGONIST" "Tclin" "Homo sapiens" "blonanserin" 388 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.092 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15686911" "https://pubmed.ncbi.nlm.nih.gov/15686911" "ANTAGONIST" "Tclin" "Homo sapiens" "bopindolol" 389 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.815 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bopindolol" 389 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.345 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bopindolol" 389 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.014 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bopindolol" 389 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.463 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bopindolol" 389 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.262 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bopindolol" 389 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.57 "IC50" "CHEMBL" "=" "Rattus norvegicus" "bopindolol" 389 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.51 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11314603" "ANTAGONIST" "Tclin" "Homo sapiens" "bopindolol" 389 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.65 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11314603" "ANTAGONIST" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.94 "Ki" "Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.89 "Ki" "Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.19 "Ki" "Inhibition of human CA4 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.47 "Ki" "Inhibition of human CA9 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.23 "Ki" "Inhibition of human CA12 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.89 "Ki" "Inhibitory activity against thrombin" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.16 "Ki" "Inhibition of human CA5A by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.17 "Ki" "Inhibition of human CA5B by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.16 "Ki" "Inhibition of human CA7 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 4.745 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "bortezomib" 391 "26S proteasome non-ATPase regulatory subunit 1" "Cytosolic other" "Q99460" "PSMD1" "PSMD1_HUMAN" 7.745 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "bortezomib" 391 "Proteasome subunit alpha type-1" "Enzyme" "P25786" "PSMA1" "PSA1_HUMAN" 9.208 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" "bortezomib" 391 "Neutrophil elastase" "Enzyme" "P08246" "ELANE" "ELNE_HUMAN" 5.64 "Ki" "Inhibitory activity against human leukocyte elastase" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.34 "Ki" "Inhibition of human CA3 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.36 "Ki" "Inhibition of human CA6 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Cathepsin G" "Enzyme" "P08311" "CTSG" "CATG_HUMAN" 6.2 "Ki" "Inhibitory activity against human cathepsin G" "CHEMBL" "=" "Tchem" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.48 "Ki" "Inhibition of human CA14 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Chymase" "Enzyme" "P23946" "CMA1" "CMA1_HUMAN" 5.92 "IC50" "Inhibition of human chymase" "CHEMBL" "=" "Tchem" "Homo sapiens" "bortezomib" 391 "Chymotrypsinogen B" "Enzyme" "P17538" "CTRB1" "CTRB1_HUMAN" 6.49 "Ki" "Inhibitory activity against human Chymotrypsinogen" "CHEMBL" "=" "Tchem" "Homo sapiens" "bortezomib" 391 "Proteasome subunit beta type-8" "Enzyme" "P28062" "PSMB8" "PSB8_HUMAN" 8.09 "IC50" "Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" "bortezomib" 391 "Lysosomal protective protein" "Enzyme" "P10619" "CTSA" "PPGB_HUMAN" 5.04 "IC50" "Inhibition of recombinant cathepsin A (unknown origin) using Mca-Arg-Pro-Pro-Gly-Phe-Ser-Ala-Phe-Lys(Dnp)-OH as substrate incubated with enzyme for 5 mins prior to substrate challenge for 2 hrs by spectrofluorometer analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.07 "Ki" "Inhibition of human CA13 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bortezomib" 391 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.57 "Ki" "Inhibition of mouse CA15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "bortezomib" 391 "Proteasome subunit beta type-1" "Enzyme" "P20618" "PSMB1" "PSB1_HUMAN" 7.28 "IC50" "Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta1 after 30 mins by fluorogenic assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" "bortezomib" 391 "Proteasome subunit beta type-2" "Enzyme" "P49721" "PSMB2" "PSB2_HUMAN" 6.23 "IC50" "Reversible inhibition of human erythrocyte derived 20S proteasome subunit beta2 after 30 mins by fluorogenic assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" "bortezomib" 391 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 9.26 "Ki" "Inhibition of 20S proteasome beta5 subunit (unknown origin) assessed as formation of reversible adduct with N-terminal threonine" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL325041" "INHIBITOR" "Tclin" "Homo sapiens" "bortezomib" 391 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.14 "Ki" "Inhibition of Mycobacterium tuberculosis beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "bortezomib" 391 "PH and SEC7 domain-containing protein 1" "Unclassified" "A5PKW4" "PSD" "PSD1_HUMAN" 7.745 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "bortezomib" 391 "Nuclear factor NF-kappa-B complex" "Transcription factor" "P19838|Q00653|Q04206" "NFKB1|NFKB2|RELA" "NFKB1_HUMAN|NFKB2_HUMAN|TF65_HUMAN" 8.01 "IC50" "Inhibition of NFkappaB in HEK293 cells incubated for 1 hr prior to TNF-alpha challenge measured after 3 hrs by luciferase reporter gene assay relative to control" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem" "Homo sapiens" "bortezomib" 391 "Alpha-chymotrypsin" "Enzyme" "P00766" "CTRA_BOVIN" 5.62 "Ki" "Inhibition of bovine pancreatic alpha-chymotrypsin using Suc-Leu-Leu-Val-Tyr-AMC as substrate by fluorescence assay" "CHEMBL" "=" "Bos taurus" "bortezomib" 391 "Proteasome subunit beta" "Enzyme" "Q8IJT1" "PF3D7_1011400" "Q8IJT1_PLAF7" 7.51 "IC50" "Parasite growth inhibition assay" "IUPHAR" "=" "Plasmodium falciparum (isolate 3D7)" "bortezomib" 391 "Proteasome subunit beta type-8" "Enzyme" "P28063" "Psmb8" "PSB8_MOUSE" 7.78 "IC50" "Inhibition of chymotrypsin like activity of mouse spleen 20S proteasome beta5i subunit using Suc-Leu-Leu-Val-Tyr-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 2 hrs by fluorescence-based assay" "CHEMBL" "=" "Mus musculus" "bortezomib" 391 "Proteasome subunit beta type-9" "Enzyme" "P28065" "PSMB9" "PSB9_HUMAN" 8.52 "IC50" "Inhibition of human peripheral blood derived 20s immunoproteasome beta1 caspase-like activity using Suc-PAL-AMC as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bortezomib" 391 "Proteasome subunit beta type-10" "Enzyme" "P40306" "PSMB10" "PSB10_HUMAN" 6.03 "IC50" "Inhibition of 20S proteasome beta 2i (unknown origin) after 1 hr by fluorescence based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosentan" 392 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "bosentan" 392 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.42 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosentan" 392 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 8.19 "Ki" "Ability to displace endothelin ([125I]ET1) from human Endothelin A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "ANTAGONIST" "Tclin" "Homo sapiens" "bosentan" 392 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 7.1 "Ki" "Inhibitory activity against human endothelin B receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL957" "ANTAGONIST" "Tclin" "Homo sapiens" "bosentan" 392 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 8.19 "Ki" "Binding affinity towards Endothelin A receptor" "CHEMBL" "=" "Rattus norvegicus" "bosentan" 392 "Endothelin-1 receptor" "GPCR" "Q29010" "EDNRA" "EDNRA_PIG" 8.12 "IC50" "In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane." "CHEMBL" "=" "Sus scrofa" "bosentan" 392 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.51 "IC50" "CHEMBL" "=" "Rattus norvegicus" "bosentan" 392 "Endothelin B receptor" "GPCR" "P21451" "Ednrb" "EDNRB_RAT" 7.02 "IC50" "CHEMBL" "=" "Rattus norvegicus" "bretylium" 394 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bretylium" 394 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bretylium" 394 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1199080" "SUBSTRATE" "Tclin" "Homo sapiens" "brimonidine" 395 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.387 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "AGONIST" "Tclin" "Homo sapiens" "brimonidine" 395 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.836 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "brimonidine" 395 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.55 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "brimonidine" 395 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.26 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "AGONIST" "Tclin" "Homo sapiens" "brimonidine" 395 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.469 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL844" "AGONIST" "Tclin" "Homo sapiens" "brimonidine" 395 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.073 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "brimonidine" 395 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.27 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "brimonidine" 395 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 7.28 "Ki" "Displacement of rauwolscine from rat Alpha-2B adrenergic receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "brimonidine" 395 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.59 "IC50" "CHEMBL" "=" "Rattus norvegicus" "brimonidine" 395 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 5.95 "EC50" "Agonist activity at bovine recombinant alpha-1A receptor expressed in HEK293 cells coexpressing Gag-pol assessed as increase in intracellular calcium measured after 60 mins by fluo-4 dye based FLIPR assay" "CHEMBL" "=" "Bos taurus" "brimonidine" 395 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.52 "Ki" "Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "brimonidine" 395 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.13 "Ki" "Binding affinity against alpha-1 adrenergic receptor in rat using [3H]prazosin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "brimonidine" 395 "Alpha-1B adrenergic receptor" "GPCR" "G3HDX1" "" "G3HDX1_CRIGR" 6.03 "EC50" "Agonist activity at hamster recombinant alpha-1B receptor expressed in HEK293 cells coexpressing Gag-pol assessed as increase in intracellular calcium measured after 60 mins by fluo-4 dye based FLIPR assay" "CHEMBL" "=" "Cricetulus griseus" "brinzolamide" 396 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 9.9 "Ki" "Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220491" "INHIBITOR" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 8.52 "Ki" "Compound was evaluated for binding affinity against human carbonic anhydrase II (hCA -II)" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.4 "Ki" "Inhibition of human full length carbonic anhydrase 4 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.44 "Ki" "Inhibition of human carbonic anhydrase9 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.52 "Ki" "Inhibitory activity against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.3 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.52 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.55 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.68 "Ki" "Inhibition of Helicobacter pylori recombinant carbonic anhydrase by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "brinzolamide" 396 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 9.05 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.62 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 8 "Ki" "Inhibition of mouse full length carbonic anhydrase 13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "brinzolamide" 396 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.35 "Ki" "Inhibitory activity against Carbonic anhydrase IV isolated from bovine lung" "CHEMBL" "=" "Bos taurus" "brinzolamide" 396 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.96 "Ki" "Inhibition of human carbonic anhydrase13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "brinzolamide" 396 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.21 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.94 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8.52 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "brinzolamide" 396 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.7 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.36 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" "brinzolamide" 396 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.32 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.77 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "brinzolamide" 396 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 7.06 "Ki" "Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "brinzolamide" 396 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.56 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "Astrosclera willeyana" "brinzolamide" 396 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.08 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "brinzolamide" 396 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.93 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "brinzolamide" 396 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.9 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "brinzolamide" 396 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 7.5 "Ki" "CHEMBL" "=" "Anopheles gambiae" "brinzolamide" 396 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 8.38 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "brinzolamide" 396 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 7.91 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "brivudine" 397 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" 6.62 "Ki" "Inhibition of Herpes simplex virus 1 recombinant thymidine kinase" "CHEMBL" "=" "Human herpesvirus 1" "brivudine" 397 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 7 "Ki" "Binding affinity constant against HSV-1 thymidine kinase" "CHEMBL" "=" "Tchem" "Homo sapiens" "brivudine" 397 "Thymidine kinase" "Kinase" "P06479" "TK" "KITH_HHV1S" 6.52 "IC50" "Binding affinity towards HSV-1 thymidine kinase" "CHEMBL" "=" "Human herpesvirus 1 (strain SC16)" "brivudine" 397 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 4.49 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "Cercopithecine herpesvirus 1" "brodimoprim" 398 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 7.77 "IC50" "Inhibition of Toxoplasma gondii Dihydrofolate Reductase" "CHEMBL" "=" "Toxoplasma gondii" "brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 7.51 "IC50" "Inhibition of Pneumocystis carinii Dihydrofolate Reductase" "CHEMBL" "=" "Pneumocystis carinii" "brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 7.82 "IC50" "Inhibition of rat liver Dihydrofolate Reductase" "CHEMBL" "=" "Rattus norvegicus" "brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 8.18 "Ki" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 7.95 "Ki" "Inhibition constant of compound against Lactobacillus casei dihydrofolate reductase" "CHEMBL" "=" "Lactobacillus casei" "brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "P00378" "DHFR" "DYR_CHICK" 4.54 "Ki" "Inhibitory activity against chicken liver dihydrofolate reductase" "CHEMBL" "=" "Gallus gallus" "brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.53 "IC50" "CHEMBL" "=" "Escherichia coli" "brodimoprim" 398 "Dihydrofolate reductase" "Enzyme" "Q8Z9J9" "folA" "Q8Z9J9_SALTI" 8.18 "Ki" "CHEMBL" "=" "Salmonella typhi" "bromazepam" 399 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "bromfenac" 401 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077" "INHIBITOR" "Tclin" "Homo sapiens" "bromfenac" 401 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.29 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077" "INHIBITOR" "Tclin" "Homo sapiens" "bromfenac" 401 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 7.1 "IC50" "Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles." "CHEMBL" "=" "Bos taurus" "bromhexine" 402 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.602 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bromhexine" 402 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.954 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bromhexine" 402 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.708 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bromhexine" 402 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.444 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "bromocriptine" 403 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.858 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.13 "Ki" "PDSP" "Tclin" "Homo sapiens" "bromocriptine" 403 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "bromocriptine" 403 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL493" "AGONIST" "Tclin" "Homo sapiens" "bromocriptine" 403 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "bromocriptine" 403 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.38 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "bromocriptine" 403 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.3 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "bromocriptine" 403 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "bromocriptine" 403 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.55 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bromocriptine" 403 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.86 "Ki" "PDSP" "Tclin" "Homo sapiens" "bromocriptine" 403 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.818 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "bromocriptine" 403 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.708 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "bromocriptine" 403 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.328 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "bromocriptine" 403 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.16 "IC50" "CHEMBL" "=" "Rattus norvegicus" "bromocriptine" 403 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.4 "Kd" "In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes." "CHEMBL" "=" "Rattus norvegicus" "bromocriptine" 403 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.25 "IC50" "CHEMBL" "=" "Rattus norvegicus" "bromocriptine" 403 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "bromocriptine" 403 "Vesicular glutamate transporter 3" "Transporter" "Q7TSF2" "Slc17a8" "VGLU3_RAT" 4.66 "IC50" "CHEMBL" "=" "Rattus norvegicus" "bromocriptine" 403 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "bromocriptine" 403 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 6.29 "IC50" "Alpha-2 adrenergic receptor activity assessed in vitro for displacement of [3H]clonidine from specific binding sites on rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "bromocriptine" 403 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 7.55 "IC50" "In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "bromocriptine" 403 "Cerebral cortex alpha adrenergic receptor" "GPCR" "P18130|Q28838" "ADRA1A|ADRA2A" "ADA1A_BOVIN|ADA2A_BOVIN" 6.29 "IC50" "In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex" "CHEMBL" "=" "Bos taurus" "bromazine" 404 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.886 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200967" "ANTAGONIST" "Tclin" "Homo sapiens" "bromopride" 406 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.85 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromopride" 406 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.17 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.43 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01101" "ANTAGONIST" "Tclin" "Homo sapiens" "bromperidol" 407 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9.02 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.155 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.119 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.745 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.146 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.77 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "bromperidol" 407 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "brompheniramine" 408 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.05 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "brompheniramine" 408 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.218 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL811" "ANTAGONIST" "Tclin" "Homo sapiens" "brompheniramine" 408 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.96 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "brotizolam" 409 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 6.52 "IC50" "In vitro for platelet activating factor receptor antagonist activity in a binding assay using washed whole dog platelets." "CHEMBL" "=" "Tchem" "Homo sapiens" "broxyquinoline" 412 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.39 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "buclizine" 416 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201271" "ANTAGONIST" "Tclin" "Homo sapiens" "budesonide" 419 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "budesonide" 419 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 10.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370" "AGONIST" "Tclin" "Homo sapiens" "budesonide" 419 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 9.92 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "budesonide" 419 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" 9.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "budesonide" 419 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7.85 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "budesonide" 419 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 7.55 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "budesonide" 419 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.701 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "budesonide" 419 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.963 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "budesonide" 419 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.569 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "budesonide" 419 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.54 "IC50" "Steroid binding against the rat thymus glucocorticoid receptor" "CHEMBL" "=" "Rattus norvegicus" "budesonide" 419 "Interleukin-5" "Unclassified" "P04401" "Il5" "IL5_MOUSE" 4.58 "IC50" "Inhibition of IL5-mediated proliferation of mouse Y16 cells by WST1 assay" "CHEMBL" "=" "Mus musculus" "budipine" 420 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.07 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "budipine" 420 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN2D|GRIN3B|GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN3A" "NMDE4_HUMAN|NMD3B_HUMAN|NMDZ1_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMD3A_HUMAN" 4.93 "Ki" "The compound was tested for its ability to block PCP N-methyl-D-aspartate glutamate receptor at the PCP (phencyclidine) binding site in postmortem human frontal cortex." "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "buflomedil" 422 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "buflomedil" 422 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.89 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "buflomedil" 422 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.22 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "Tchem" "Homo sapiens" "buflomedil" 422 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "buflomedil" 422 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "buflomedil" 422 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "buflomedil" 422 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "buflomedil" 422 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "buflomedil" 422 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.15 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "bufuralol" 424 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bufuralol" 424 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bufuralol" 424 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "bufuralol" 424 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.59 "Ks" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bumetanide" 427 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1072" "INHIBITOR" "Tclin" "Homo sapiens" "bumetanide" 427 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" 7.52 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bumetanide" 427 "Solute carrier family 12 member 2" "Transporter" "P55011" "SLC12A2" "S12A2_HUMAN" 5.6 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "bumetanide" 427 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.54 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "bunazosin" 429 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01887" "ANTAGONIST" "Tclin" "Homo sapiens" "bunazosin" 429 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bunazosin" 429 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01887" "ANTAGONIST" "Tclin" "Homo sapiens" "bunazosin" 429 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "levobunolol" 431 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.399 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201177" "ANTAGONIST" "Tclin" "Homo sapiens" "levobunolol" 431 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.263 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201177" "ANTAGONIST" "Tclin" "Homo sapiens" "levobunolol" 431 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.488 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levobunolol" 431 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.585 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levobunolol" 431 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.78 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levobunolol" 431 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.593 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "levobunolol" 431 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.54 "IC50" "CHEMBL" "=" "Rattus norvegicus" "levobunolol" 431 "Beta-3 adrenergic receptor" "GPCR" "P25962" "Adrb3" "ADRB3_MOUSE" 6.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "levobunolol" 431 "Beta-3 adrenergic receptor" "GPCR" "P26255" "Adrb3" "ADRB3_RAT" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "bupivacaine" 432 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.66 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "bupivacaine" 432 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.66 "IC50" "Inhibition of wild-type human ERG channel expressed in CHO cells by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "bupivacaine" 432 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 5.293 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bupivacaine" 432 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 6 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1098" "BLOCKER" "Tclin" "Homo sapiens" "bupivacaine" 432 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.514 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bupivacaine" 432 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.398 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bupivacaine" 432 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.233 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bupivacaine" 432 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 4.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bupivacaine" 432 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 5.4 "Kd" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "bupivacaine" 432 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 4.39 "IC50" "Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bupivacaine" 432 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9Z0V1" "Kcnd3" "KCND3_MOUSE" 4.5 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "bupivacaine" 432 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 4.39 "IC50" "Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bupranolol" 433 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=550" "ANTAGONIST" "Tclin" "Homo sapiens" "bupranolol" 433 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.1 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=550" "ANTAGONIST" "Tclin" "Homo sapiens" "bupranolol" 433 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "buprenorphine" 434 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.29 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "buprenorphine" 434 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.1 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "buprenorphine" 434 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.01 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL511142" "ANTAGONIST" "Tclin" "Homo sapiens" "buprenorphine" 434 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.07 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "buprenorphine" 434 "Nociceptin receptor" "GPCR" "P41146" "OPRL1" "OPRX_HUMAN" 7.11 "Ki" "Displacement of [3H]-N/OFQ from human nociceptin opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "buprenorphine" 434 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.89 "Ki" "Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cells" "CHEMBL" "=" "Rattus norvegicus" "buprenorphine" 434 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.4 "Ki" "Displacement of [3H]DAMGO from MOR in Hartley guinea pig membrane" "CHEMBL" "=" "Cavia porcellus" "buprenorphine" 434 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 9.32 "Ki" "Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cells" "CHEMBL" "=" "Rattus norvegicus" "buprenorphine" 434 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 9.3 "Ki" "Displacement of [3H]U69593 from KOR in Hartley guinea pig membrane" "CHEMBL" "=" "Cavia porcellus" "bupropion" 435 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.04 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "bupropion" 435 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.16 "Ki" "Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201735" "INHIBITOR" "Tclin" "Homo sapiens" "bupropion" 435 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 4.796 "Ki" "PDSP" "Tclin" "Homo sapiens" "bupropion" 435 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.28 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201735" "INHIBITOR" "Tclin" "Homo sapiens" "bupropion" 435 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "bupropion" 435 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 4.3 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7" "CHEMBL" "=" "Tchem" "Homo sapiens" "bupropion" 435 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bupropion" 435 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.846 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "bupropion" 435 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.91 "IC50" "Compound was tested for its ability to inhibit the neurotransmitter dopamine-DA reuptake system using [3H]dopamine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "bupropion" 435 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNB4|CHRNA3" "ACHB4_HUMAN|ACHA3_HUMAN" 5.74 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta4" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "bupropion" 435 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P17787|P32297" "CHRNB2|CHRNA3" "ACHB2_HUMAN|ACHA3_HUMAN" 6 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "buserelin" 436 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" 8.569 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buserelin" 436 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 10.52 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3860" "AGONIST" "Tclin" "Homo sapiens" "buserelin" 436 "Gonadotropin-releasing hormone receptor" "GPCR" "Q01776" "Gnrhr" "GNRHR_MOUSE" 10.05 "EC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "buspirone" 437 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buspirone" 437 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.319 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buspirone" 437 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.4 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "buspirone" 437 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.13 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buspirone" 437 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.25 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL49" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "buspirone" 437 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buspirone" 437 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.41 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buspirone" 437 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.04 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buspirone" 437 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.435 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "buspirone" 437 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.18 "Ki" "Inhibition of [3H]spiperone binding to Dopamine receptor D3 in bovine cortex" "CHEMBL" "=" "Tclin" "Homo sapiens" "buspirone" 437 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "buspirone" 437 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.277 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "buspirone" 437 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.77 "Ki" "Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.471 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "buspirone" 437 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.92 "Ki" "In vitro ability to inhibit [3H]spiperone binding to dopamine receptor D2 of rat limbic structures" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.42 "Ki" "Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 6.32 "Ki" "Compound was evaluated for binding affinity against 5-hydroxytryptamine 2A receptor using [3H]ketanserin as a radioligand" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.32 "Ki" "Inhibition of [3H]DTG binding to sigma receptor in rat hippocampus" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "buspirone" 437 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "buspirone" 437 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 5.21 "Ki" "Inhibition of [3H]SCH-23390 binding to Dopamine receptor D1 of bovine striatum" "CHEMBL" "=" "Bos taurus" "buspirone" 437 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.36 "Ki" "Inhibition of [3H]raclopride binding to Dopamine receptor D2 of bovine striatum" "CHEMBL" "=" "Bos taurus" "buspirone" 437 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6 "IC50" "In vitro binding affinity towards the 5-hydroxytryptamine 1C receptor at 10 e-6 M" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 4.8 "IC50" "Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex" "CHEMBL" "=" "Bos taurus" "buspirone" 437 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 5 "IC50" "Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex" "CHEMBL" "=" "Bos taurus" "buspirone" 437 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 6.75 "Ki" "Binding affinity against 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Bos taurus" "buspirone" 437 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.92 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "buspirone" 437 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.77 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "buspirone" 437 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.34 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "buspirone" 437 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7.02 "IC50" "Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5 "IC50" "Binding affinity against Alpha-2 adrenergic receptor in rat brain membrane using [3H]yohimbine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 6.92 "IC50" "Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.86 "Ki" "The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "buspirone" 437 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 6.76 "Ki" "The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "busulfan" 438 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.283 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "secbutabarbital" 439 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200982" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "butalbital" 441 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL454" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "butenafine" 444 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.864 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "butenafine" 444 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.779 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "butenafine" 444 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.125 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "butenafine" 444 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.411 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "butenafine" 444 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.523 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "butenafine" 444 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.161 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "butenafine" 444 "Squalene epoxidase" "Enzyme" "Q4JEY0" "Q4JEY0_TRIRU" "Mechanism of Action; CHEMBL2364679; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL990" "INHIBITOR" "Trichophyton rubrum" "butenafine" 444 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.805 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "butenafine" 444 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.12 "IC50" "Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay" "CHEMBL" "=" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" "butenafine" 444 "Squalene monooxygenase" "Enzyme" "Q92206" "ERG1" "ERG1_CANAL" 7.347 "IC50" "WOMBAT-PK" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "butoconazole" 450 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1295" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "butorphanol" 454 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.92 "Ki" "Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33986" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "butorphanol" 454 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.92 "Ki" "Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33986" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "butorphanol" 454 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.92 "Ki" "Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane" "CHEMBL" "=" "Tclin" "Homo sapiens" "butriptyline" 455 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.866 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "butriptyline" 455 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.292 "Ki" "PDSP" "Tclin" "Homo sapiens" "butriptyline" 455 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.405 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "scopolamine butylbromide" 458 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "cabergoline" 460 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.2 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201087" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.85 "Ki" "Displacement of [125I](+/-)DOI from human 5-HT2B receptor transfected in CHO cell membrane after 60 mins by scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "cabergoline" 460 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "cabergoline" 460 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.3 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cabergoline" 460 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.3 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "cabergoline" 460 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.78 "Ki" "PDSP" "Tclin" "Homo sapiens" "cabergoline" 460 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.22 "Ki" "PDSP" "Tclin" "Homo sapiens" "cadralazine" 461 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "cadralazine" 461 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.301 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "caffeine" 463 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.61 "Ki" "Competitive binding affinity to human adenosine A2A receptor expressed in HEK293 cells after 60 mins by fluorescence polarization assay in presence of MRS5346" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "ANTAGONIST" "Tclin" "Homo sapiens" "caffeine" 463 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.31 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "caffeine" 463 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.97 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "ANTAGONIST" "Tclin" "Homo sapiens" "caffeine" 463 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.77 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL113" "ANTAGONIST" "Tclin" "Homo sapiens" "caffeine" 463 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "caffeine" 463 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.14 "IC50" "Inhibition of human AChE using acetylthiocholine iodide as substrate treated 5 mins before substrate addition measured up to 4 mins by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "caffeine" 463 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.12 "IC50" "Inhibition of PI3Kdelta (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "caffeine" 463 "Glycogen phosphorylase, muscle form" "Enzyme" "P00489" "PYGM" "PYGM_RABIT" 4.13 "IC50" "Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins" "CHEMBL" "=" "Oryctolagus cuniculus" "caffeine" 463 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.77 "Ki" "Displacement of [3H]CHA from adenosine A1 receptor in rat brain cortical membrane" "CHEMBL" "=" "Rattus norvegicus" "caffeine" 463 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.03 "Ki" "Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane" "CHEMBL" "=" "Rattus norvegicus" "caffeine" 463 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 4.54 "Ki" "Affinity to A1 adenosine receptor was measured by the displacement of [3H]PIA in bovine brain cortical membrane" "CHEMBL" "=" "Bos taurus" "caffeine" 463 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 4 "Ki" "Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand" "CHEMBL" "=" "Cavia porcellus" "caffeine" 463 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2b|Adora2a" "AA2BR_RAT|AA2AR_RAT" 4.57 "Ki" "Binding affinity against adenosine A2 receptor in rat striatal membranes using N-[3H]-ethyladenosin-5''-uronamide as radioligand in the presence of 50 nM cyclopentyladenosine" "CHEMBL" "=" "Rattus norvegicus" "caffeine" 463 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora3|Adora2b|Adora2a" "AA1R_RAT|AA3R_RAT|AA2BR_RAT|AA2AR_RAT" 4.22 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "Rattus norvegicus" "caffeine" 463 "Guanine deaminase" "Enzyme" "Q9Y2T3" "GDA" "GUAD_HUMAN" 4.99 "Ki" "Inhibition of GDA by colorimetric assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "caffeine" 463 "Adenosine A2a receptor" "GPCR" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.1 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "Cavia porcellus" "caffeine" 463 "Adenosine receptor A2b" "GPCR" "Q60614" "Adora2b" "AA2BR_MOUSE" 4.89 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "calcifediol" 464 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "Mechanism of Action; CHEMBL1977; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3544909" "AGONIST" "Tclin" "Homo sapiens" "calcipotriene" 465 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 9.51 "Kd" "Binding affinity to VDR receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200666" "AGONIST" "Tclin" "Homo sapiens" "calcitriol" 466 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O15528" "CYP27B1" "CP27B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "calcitriol" 466 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 8.4 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL846" "AGONIST" "Tclin" "Homo sapiens" "calcitriol" 466 "Vitamin D 25-hydroxylase" "Enzyme" "Q6VVX0" "CYP2R1" "CP2R1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "calcitriol" 466 "Vitamin D-binding protein" "Secreted" "P02774" "GC" "VTDB_HUMAN" 7.62 "Kd" "Binding affinity to human vitamin D binding protein" "CHEMBL" "=" "Tchem" "Homo sapiens" "calcitriol" 466 "Vitamin D3 receptor" "Transcription factor" "P13053" "Vdr" "VDR_RAT" 10.3 "Ki" "Displacement of [3H]1-alpha,25-(OH)2D3 from rat recombinant full length VDR" "CHEMBL" "=" "Rattus norvegicus" "calcitriol" 466 "Vitamin D3 receptor" "Transcription factor" "O42392" "VDR" "VDR_CHICK" 10.6 "Ki" "Displacement from vitamin D receptor in chick intestine: 50% displacement" "CHEMBL" "=" "Gallus gallus" "calcitriol" 466 "Vitamin D3 receptor" "Transcription factor" "Q28037" "VDR" "VDR_BOVIN" 10.3 "EC50" "Displacement of [3H]1,25-(OH)2D3 from bovine thymus vitamin D receptor" "CHEMBL" "=" "Bos taurus" "calcitriol" 466 "Vitamin D3 receptor" "Nuclear hormone receptor" "A3RGC1" "VDR" "VDR_PIG" 10.15 "Kd" "Displacement of [3H]1-alpha,25-(OH)2D3 from VDR in pig intestinal mucosa" "CHEMBL" "=" "Sus scrofa" "calcitriol" 466 "Vitamin D3 receptor A" "Nuclear hormone receptor" "Q9PTN2" "vdra" "VDRA_DANRE" 8.26 "EC50" "Agonist activity at zebrafish gal4-VDR LBD expressed in human MCF7 cells by luciferase reporter gene based transactivation assay" "CHEMBL" "=" "Danio rerio" "camphor" 470 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.3 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylthiocholine iodide substrate by Ellman method based colorimetry" "CHEMBL" "=" "Electrophorus electricus" "camphor" 470 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 4.2 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "camostat" 471 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.5 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Phe-Pip-Arg-pNA) thrombin in vitro." "CHEMBL" "=" "Tclin" "Homo sapiens" "camostat" 471 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 7.3 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (Boc-Phe-Ser-Arg-AMC) for trypsin in vitro." "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6432" "INHIBITOR" "Tclin" "Homo sapiens" "camostat" 471 "Kallikrein-1" "Enzyme" "P06870" "KLK1" "KLK1_HUMAN" 5.83 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Pro-Phe-Arg-pNA) for plasma kallikrein in vitro." "CHEMBL" "=" "Tchem" "Homo sapiens" "camostat" 471 "Plasminogen" "Enzyme" "Q01177" "Plg" "PLMN_RAT" 5.58 "IC50" "Concentration required to inhibit enzymatic cleavage of the chromogenic substrate (H-D-Val-Leu-Lys-pNA) for plasmin in vitro." "CHEMBL" "=" "Rattus norvegicus" "camostat" 471 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.78 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "camostat" 471 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.54 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "camostat" 471 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.9 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "camostat" 471 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 7.54 "IC50" "Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Boc-QRR-AMC as substrate after 15 mins by automated fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "camostat" 471 "Hepatocyte growth factor activator" "Enzyme" "Q04756" "HGFAC" "HGFA_HUMAN" 4.49 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "camostat" 471 "Transmembrane protease serine 2" "Enzyme" "O15393" "TMPRSS2" "TMPS2_HUMAN" 6 "IC50" "Inhibition of TMPRSS2-dependent MERS-S-mediated membrane fusion in an in vitro reporter assay." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "camylofin" 472 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.04 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "candesartan cilexetil" 475 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.51 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "CHEMBL" "=" "Tchem" "Homo sapiens" "candesartan cilexetil" 475 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 6.96 "IC50" "CHEMBL" "=" "Bos taurus" "candesartan cilexetil" 475 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.38 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "Trypanosoma cruzi" "candesartan cilexetil" 475 "Type-1 angiotensin II receptor" "GPCR" "P34976" "AGTR1" "AGTR1_RABIT" 9.19 "Ki" "CHEMBL" "=" "Oryctolagus cuniculus" "candesartan cilexetil" 475 "DNULL polymerase kappa" "Enzyme" "Q9UBT6" "POLK" "POLK_HUMAN" 5.25 "IC50" "Inhibition of human DNA polymerase kappa (19 to 526 residues)-mediated TLS past acrolein derived ring-opened reduced form of gamma-HOPdG lesions preincubated for 15 mins followed by DNA substrate addition measured after 30 mins in presence of dCTP and dGTP by radioactive gel-based primer extension assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "candesartan cilexetil" 475 "DNULL polymerase iota" "Enzyme" "Q9UNA4" "POLI" "POLI_HUMAN" 5.21 "IC50" "Inhibition of human DNA polymerase iota preincubated for 15 mins followed by replicating non-damaged DNA substrate addition measured after 30 mins in presence of dCTP and dGTP by radioactive gel-based primer extension assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "candesartan cilexetil" 475 "DNULL polymerase eta" "Enzyme" "Q9Y253" "POLH" "POLH_HUMAN" 4.95 "IC50" "Inhibition of human DNA polymerase eta (1 to 437 residues) preincubated for 15 mins followed by replicating non-damaged DNA substrate addition measured after 30 mins in presence of dCTP and dGTP by radioactive gel-based primer extension assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "candesartan cilexetil" 475 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.05 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "candesartan cilexetil" 475 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.52 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "CHEMBL" "=" "Tclin" "Homo sapiens" "candesartan cilexetil" 475 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.76 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "candesartan cilexetil" 475 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.49 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "CHEMBL" "=" "Tclin" "Homo sapiens" "candesartan cilexetil" 475 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.16 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "CHEMBL" "=" "Tchem" "Homo sapiens" "candesartan cilexetil" 475 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.52 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "candesartan cilexetil" 475 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.16 "IC50" "Displacement of [3H]-Angiotensin 2 from human AT1 receptor transfected in CHOK1 cells preincubated for 30 mins with bovine serum albumin followed by radioligand addition by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1014" "ANTAGONIST" "Tclin" "Homo sapiens" "candesartan cilexetil" 475 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.48 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "Tclin" "Homo sapiens" "candesartan cilexetil" 475 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.23 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "Tclin" "Homo sapiens" "canrenone" 478 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.523 "IC50" "inhibitION the aldosterone-induced MR activity" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15716462" "https://pubmed.ncbi.nlm.nih.gov/21771637" "ANTAGONIST" "Tclin" "Homo sapiens" "capecitabine" 480 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1773" "INHIBITOR" "Tclin" "Homo sapiens" "captopril" 484 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.92 "Ki" "Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "captopril" 484 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.77 "Ki" "Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "captopril" 484 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1560" "INHIBITOR" "Tclin" "Homo sapiens" "captopril" 484 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.32 "Ki" "Inhibitory activity against thrombin" "CHEMBL" "=" "Tclin" "Homo sapiens" "captopril" 484 "Renin" "Enzyme" "P00797" "REN" "RENI_HUMAN" 8.77 "Ki" "Antihypertensive activity against human renin" "CHEMBL" "=" "Tclin" "Homo sapiens" "captopril" 484 "Leukotriene A-4 hydrolase" "Enzyme" "P09960" "LTA4H" "LKHA4_HUMAN" 7.15 "IC50" "Inhibitory activity against Leukotriene A4 hydrolase from human leukocytes" "CHEMBL" "=" "Tchem" "Homo sapiens" "captopril" 484 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.77 "Ki" "Inhibitory activity against rabbit lung angiotensin-1 converting enzyme" "CHEMBL" "=" "Oryctolagus cuniculus" "captopril" 484 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 8.7 "Ki" "Inhibition of Angiotensin I converting enzyme (ACE)" "CHEMBL" "=" "Rattus norvegicus" "captopril" 484 "Succinyl-diaminopimelate desuccinylase" "Enzyme" "P44514" "dapE" "DAPE_HAEIN" 5.74 "Ki" "Inhibition of Haemophilus influenzae recombinant DapE by competitive binding assay" "CHEMBL" "=" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" "captopril" 484 "Beta-lactamase" "Enzyme" "Q79MP6" "blaIMP-1" "Q79MP6_PSEAI" 5.62 "Ki" "Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis" "CHEMBL" "=" "Pseudomonas aeruginosa" "captopril" 484 "Beta-lactamase II" "Enzyme" "Q93T40" "bla2" "Q93T40_BACAN" 4.75 "Ki" "Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis" "CHEMBL" "=" "Bacillus anthracis" "captopril" 484 "Beta-lactamase class B VIM-2" "Unclassified" "Q9K2N0" "blaVIM-2" "Q9K2N0_PSEAI" 6.22 "Kd" "CHEMBL" "=" "Pseudomonas aeruginosa" "captopril" 484 "Beta-lactamase NDM-1" "Enzyme" "C7C422" "blaNDM-1" "BLAN1_KLEPN" 4.85 "Kd" "Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay" "CHEMBL" "=" "Klebsiella pneumoniae" "caramiphen" 486 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.81 "Ki" "Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "caramiphen" 486 "Lysosomal Pro-X carboxypeptidase" "Enzyme" "P42785" "PRCP" "PCP_HUMAN" 7.59 "Ki" "Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "Tchem" "Homo sapiens" "caramiphen" 486 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.5 "Ki" "Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates" "CHEMBL" "=" "Rattus norvegicus" "caramiphen" 486 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.92 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates" "CHEMBL" "=" "Rattus norvegicus" "caramiphen" 486 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.29 "Ki" "Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain" "CHEMBL" "=" "Rattus norvegicus" "carazolol" 487 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.94 "Ki" "Displacement of [3H]DHA from human beta2 adrenoceptor by liquid scintillation counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "carazolol" 487 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "carazolol" 487 "Beta-3 adrenergic receptor" "GPCR" "P25962" "Adrb3" "ADRB3_MOUSE" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "carazolol" 487 "Beta-3 adrenergic receptor" "GPCR" "P26255" "Adrb3" "ADRB3_RAT" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "carazolol" 487 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 10.05 "Ki" "Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assay" "CHEMBL" "=" "Mus musculus" "carazolol" 487 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 10.05 "Ki" "Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed in HEK293T cells after 60 mins by radioligand competition binding assay" "CHEMBL" "=" "Mus musculus" "carbachol" 488 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.523 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbachol" 488 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.921 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbachol" 488 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.699 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14" "AGONIST" "Tclin" "Homo sapiens" "carbachol" 488 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.577 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbachol" 488 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.097 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbachol" 488 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 4.18 "Ki" "Binding affinity to alpha7 nAChR (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "carbachol" 488 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.4 "Ki" "Binding affinity at [3H]CD radiolabeled muscarinic M2 receptor in rat cortex." "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 7.51 "Ki" "Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)" "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 6.35 "Ki" "Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand" "CHEMBL" "=" "Torpedo californica" "carbachol" 488 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 8.1 "Ki" "Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue." "CHEMBL" "=" "Mus musculus" "carbachol" 488 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 7.7 "Ki" "Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-S" "CHEMBL" "=" "Mus musculus" "carbachol" 488 "Muscarinic acetylcholine receptor M2" "GPCR" "Q9ERZ4" "Chrm2" "ACM2_MOUSE" 8.1 "Ki" "Ability to displace [3H]oxotremorine ([3H]OXO-M) from mouse cerebral cortex" "CHEMBL" "=" "Mus musculus" "carbachol" 488 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 5.59 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 4.74 "Kd" "Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum" "CHEMBL" "=" "Cavia porcellus" "carbachol" 488 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.12 "IC50" "Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs" "CHEMBL" "=" "Torpedo californica" "carbachol" 488 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 6.68 "Ki" "Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 5.96 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 5.32 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 6.23 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 5.89 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "carbachol" 488 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 6.12 "Ki" "Binding affinity to alpha4beta2 nAChR (unknown origin)" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "carbachol" 488 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 8.89 "Ki" "In vitro binding affinity for muscarinic receptor by displacing [3H]oxotremorine-M binding on rat brain homogenate." "CHEMBL" "=" "Rattus norvegicus" "carbamazepine" 489 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "BLOCKER" "Tclin" "Homo sapiens" "carbamazepine" 489 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.495 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbamazepine" 489 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 4.125 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbamazepine" 489 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.28 "Ki" "Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "BLOCKER" "Tclin" "Homo sapiens" "carbamazepine" 489 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.66 "IC50" "Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL108" "BLOCKER" "Tclin" "Homo sapiens" "carbamazepine" 489 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "carbamazepine" 489 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "carbamazepine" 489 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNB4|CHRNA2" "ACHB4_HUMAN|ACHA2_HUMAN" 4.31 "IC50" "WOMBAT-PK" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "carbamazepine" 489 "Frizzled-8" "GPCR" "Q9H461" "FZD8" "FZD8_HUMAN" 4.77 "Kd" "Binding affinity for FZD8 cysteine-rich domain (CRD) by SPR analysis." "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tbio" "Homo sapiens" "carbenicillin" 492 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.37 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbenicillin" 492 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "carbenicillin" 492 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "carbenicillin" 492 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1214" "INHIBITOR" "Escherichia coli (strain K12)" "carbenoxolone" 493 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 7.08 "IC50" "Ability to convert [3H]cortisol to the tritium labeled cortisone in the presence of human 11 beta hydroxysteroid dehydrogenase type 2" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01899" "INHIBITOR" "Tclin" "Homo sapiens" "carbenoxolone" 493 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 6.97 "IC50" "In vitro inhibitory activity against mouse 11 beta hydroxysteroid dehydrogenase type 1 using scintillation proximity assay (SPA)." "CHEMBL" "=" "Mus musculus" "carbenoxolone" 493 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P51661" "Hsd11b2" "DHI2_MOUSE" 7.09 "IC50" "Inhibition of mouse microsomal 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "Mus musculus" "pentoxyverine" 494 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.71 "Ki" "Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentoxyverine" 494 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.12 "Ki" "Binding affinity towards muscarinic m1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentoxyverine" 494 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.78 "Ki" "Binding affinity towards muscarinic m2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentoxyverine" 494 "Lysosomal Pro-X carboxypeptidase" "Enzyme" "P42785" "PRCP" "PCP_HUMAN" 7.49 "IC50" "Inhibition of [3H]- (+) - pentazocine binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentoxyverine" 494 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.81 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentoxyverine" 494 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.51 "Ki" "Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain" "CHEMBL" "=" "Rattus norvegicus" "pentoxyverine" 494 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.96 "Ki" "Tested for its binding affinity towards sigma-1 site in presence of [3H]- -(+)3 PPP" "CHEMBL" "=" "Rattus norvegicus" "carbetocin" 495 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 7.39 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "carbetocin" 495 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 5.232 "Ki" "vasopressin V2 receptors expressed in COS-7 cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15740719" "Tclin" "Homo sapiens" "carbetocin" 495 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 8.149 "Ki" "oxytocin receptors expressed in COS-7 cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/15740719" "https://www.ebs.tga.gov.au/ebs/picmi/picmirepository.nsf/pdf?OpenAgent&id=CP-2015-PI-01665-1" "AGONIST" "Tclin" "Homo sapiens" "carbidopa" 496 "Aromatic-L-amino-acid decarboxylase" "Enzyme" "P20711" "DDC" "DDC_HUMAN" "Mechanism of Action; CHEMBL1843; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200748" "INHIBITOR" "Tclin" "Homo sapiens" "carbidopa" 496 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.168 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carbidopa" 496 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.428 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carbidopa" 496 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.7 "Ki" "Uncompetitive inhibition of JMJD2E relative to alpha-ketoglutarate" "CHEMBL" "=" "Tchem" "Homo sapiens" "carbimazole" 497 "Lactoperoxidase" "Enzyme" "P22079" "LPO" "PERL_HUMAN" 4.98 "IC50" "Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC" "CHEMBL" "=" "Tbio" "Homo sapiens" "carbimazole" 497 "Thyroid peroxidase" "Enzyme" "P07202" "TPO" "PERT_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1278093" "INHIBITOR" "Tclin" "Homo sapiens" "carbinoxamine" 499 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL864" "ANTAGONIST" "Tclin" "Homo sapiens" "carboprost" 502 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" "Mechanism of Action; CHEMBL1987; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237122" "AGONIST" "Tclin" "Homo sapiens" "carbutamide" 505 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 4.602 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2445740" "https://pubmed.ncbi.nlm.nih.gov/2445740" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "carindacillin" 508 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1596" "INHIBITOR" "Escherichia coli (strain K12)" "carubicin" 510 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "carmofur" 511 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.301 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carmofur" 511 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.213 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "carmofur" 511 "Acid ceramidase" "Enzyme" "Q6P7S1" "Asah1" "ASAH1_RAT" 7.54 "IC50" "Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by LC/MS analysis" "CHEMBL" "=" "Rattus norvegicus" "carmofur" 511 "Acid ceramidase" "Enzyme" "Q13510" "ASAH1" "ASAH1_HUMAN" 7.68 "IC50" "Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorogenic assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "carmofur" 511 "Sulfide:quinone oxidoreductase, mitochondrial" "Unclassified" "Q9Y6N5" "SQRDL" "SQRD_HUMAN" 4.7 "IC50" "Inhibition of SQOR (unknown origin) using sodium sulfide, sodium sulfite and coenzyme Q1 by UV absorbance method" "CHEMBL" "=" "Tbio" "Homo sapiens" "carmustine" 512 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 5.09 "IC50" "Inhibition of human recombinant glutathione reductase using glutathione as substrate preincubated for 30 mins by colorimetric assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL513" "INHIBITOR" "Tclin" "Homo sapiens" "levocarnitine" 513 "Carnitine O-palmitoyltransferase 1, liver isoform" "Enzyme" "P50416" "CPT1A" "CPT1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "levocarnitine" 513 "Carnitine O-palmitoyltransferase 1, muscle isoform" "Enzyme" "Q63704" "Cpt1b" "CPT1B_RAT" 4 "Ki" "Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 1" "CHEMBL" "=" "Rattus norvegicus" "levocarnitine" 513 "Carnitine palmitoyltransferase 2" "Enzyme" "P18886" "Cpt2" "CPT2_RAT" 4 "Ki" "Tested against neonatal rat cardiac myocyte carnitine palmitoyltransferase 2" "CHEMBL" "=" "Rattus norvegicus" "carperitide" 515 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" 10 "EC50" "Agonist activity at human NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 30 mins by radioimmunoassay" "CHEMBL" "=" "Tclin" "Homo sapiens" "carperitide" 515 "Atrial natriuretic peptide receptor 1" "Enzyme" "P18910" "Npr1" "ANPRA_RAT" 9 "EC50" "Agonist activity at rat NPR-A expressed in CHO cells assessed as increase in cGMP accumulation after 15 mins by fluorescent assay" "CHEMBL" "=" "Rattus norvegicus" "carfenazine" 516 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201328" "ANTAGONIST" "Tclin" "Homo sapiens" "carfenazine" 516 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "Mechanism of Action; CHEMBL224; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201328" "ANTAGONIST" "Tclin" "Homo sapiens" "carpipramine" 517 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.06 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "carpipramine" 517 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.824 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "carprofen" 518 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7 "IC50" "Inhibition of human recombinant COX2 after 5 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1316" "INHIBITOR" "Tclin" "Homo sapiens" "carprofen" 518 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.88 "IC50" "Inhibitory activity against cell-free canine COX-1" "CHEMBL" "=" "Tclin" "Homo sapiens" "carprofen" 518 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.89 "IC50" "Inhibition of ovine COX1 after 5 mins" "CHEMBL" "=" "Ovis aries" "carprofen" 518 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 4.1 "IC50" "Inhibition of FAAH in rat brain homogenates pre-incubated for 10 mins before addition of [3H]anandamide and [3H]AEA substrates for 30 mins by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "carprofen" 518 "Complement C5" "Secreted" "P01031" "C5" "CO5_HUMAN" 6.24 "Kd" "Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "carprofen" 518 "Complement C5" "Unclassified" "P01031" "C5" "CO5_HUMAN" 6.24 "Kd" "Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "carteolol" 520 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL839" "ANTAGONIST" "Tclin" "Homo sapiens" "carteolol" 520 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL839" "ANTAGONIST" "Tclin" "Homo sapiens" "carumonam" 521 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "carvedilol" 522 "Ryanodine receptor 2" "Ion channel" "Q92736" "RYR2" "RYR2_HUMAN" 4.8 "IC50" "Inhibition of R4496C mutant RyR2 (expressed in HEK293 cells)-mediated store-overload induced calcium release after 8 to 10 mins using a fura-2/AM dye-based fluorescence assay." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "carvedilol" 522 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.742 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "carvedilol" 522 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.5 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "ANTAGONIST" "Tclin" "Homo sapiens" "carvedilol" 522 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL723" "ANTAGONIST" "Tclin" "Homo sapiens" "carvedilol" 522 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.126 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.31 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.398 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.46 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.928 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.273 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.476 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.932 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.824 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.222 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.152 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "carvedilol" 522 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.66 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "carvedilol" 522 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.367 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.708 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 9.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "carvedilol" 522 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.886 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.173 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.054 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "carvedilol" 522 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 5.8 "IC50" "Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.47 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "carvedilol" 522 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" 5.12 "IC50" "Inhibition of of TREK2 (unknown origin) expressed in HEK293 cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "carvedilol" 522 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.706 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "carvedilol" 522 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.23 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "carvedilol" 522 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.11 "IC50" "CHEMBL" "=" "Rattus norvegicus" "carvedilol" 522 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.5 "Ki" "CHEMBL" "=" "Rattus norvegicus" "carvedilol" 522 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 9.09 "Ki" "Displacement of [3H]CGP12177 from beta-1 adrenergic receptor in rat cerebral cortex by liquid scintillation method" "CHEMBL" "=" "Rattus norvegicus" "carvedilol" 522 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.12 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "carvedilol" 522 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.03 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "carvedilol" 522 "Toll-like receptor 4" "Membrane receptor" "O00206" "TLR4" "TLR4_HUMAN" 4.49 "IC50" "Antagonist activity at human TLR4 expressed in HEK blue cells coexpressing MD-2/CD14 assessed as inhibition of LPS-induced NF-kappaB activation-mediated SEAP production after 24 hrs" "CHEMBL" "=" "Tchem" "Homo sapiens" "carvedilol" 522 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 4.52 "IC50" "CHEMBL" "=" "Homo sapiens" "cefacetrile" 524 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefaclor" 525 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefaclor" 525 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.33 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "cefaclor" 525 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL680" "INHIBITOR" "Escherichia coli (strain K12)" "cefadroxil" 526 "Solute carrier family 15 member 1" "Transporter" "P46059" "SLC15A1" "S15A1_HUMAN" 2.14 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefadroxil" 526 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1644" "INHIBITOR" "Escherichia coli (strain K12)" "cefamandole" 527 "Solute carrier family 15 member 1" "Transporter" "P46059" "SLC15A1" "S15A1_HUMAN" 2.09 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefamandole nafate" 528 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1618" "INHIBITOR" "Escherichia coli (strain K12)" "cefazolin" 530 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefazolin" 530 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1435" "INHIBITOR" "Escherichia coli (strain K12)" "cefdinir" 533 "Pencillin binding protein 2a; Penicillin binding protein 2'; Penicillin binding protein, PBP2; Penicillin-binding protein 2; Penicillin-binding protein 2'; Peptidase" "Enzyme" "O54286" "mecA" "O54286_STAAU" "WOMBAT-PK" "Staphylococcus aureus" "cefdinir" 533 "Penicillin-binding protein 3" "Enzyme" "Q14TG6" "pbp3" "Q14TG6_HAEIF" "WOMBAT-PK" "Haemophilus influenzae" "cefdinir" 533 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.48 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "cefdinir" 533 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL927" "INHIBITOR" "Escherichia coli (strain K12)" "cefdinir" 533 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.3 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "cefditoren pivoxil" 534 "Penicillin-binding protein 3" "Enzyme" "Q14TG6" "pbp3" "Q14TG6_HAEIF" "WOMBAT-PK" "Haemophilus influenzae" "cefditoren pivoxil" 534 "Penicillin-binding protein" "Enzyme" "Q54906" "dacA" "Q54906_STRPY" "WOMBAT-PK" "Streptococcus pyogenes" "cefditoren pivoxil" 534 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL454446" "INHIBITOR" "Escherichia coli (strain K12)" "cefepime" 535 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL186" "INHIBITOR" "Escherichia coli (strain K12)" "cefetamet pivoxil" 536 "Penicillin-binding protein 3" "Enzyme" "P42971" "pbpC" "PBPC_BACSU" "WOMBAT-PK" "Bacillus subtilis (strain 168)" "cefetamet pivoxil" 536 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" "cefixime" 537 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefixime" 537 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 7.22 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "cefixime" 537 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1541" "INHIBITOR" "Escherichia coli (strain K12)" "cefixime" 537 "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1" "Enzyme" "P19174" "PLCG1" "PLCG1_HUMAN" 5.92 "IC50" "PubChem BioAssay. Counterscreen for inhibitors of phospholipase C isozymes (PLC-B3): Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of phospholipase C isozymes (PLC-gamma1). (Class of assay: confirmatory) " "CHEMBL" "=" "Tchem" "Homo sapiens" "cefmenoxime" 538 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201224" "INHIBITOR" "Escherichia coli (strain K12)" "cefmetazole" 539 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefmetazole" 539 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201195" "INHIBITOR" "Escherichia coli (strain K12)" "cefmetazole" 539 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 5.16 "IC50" "Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "cefmetazole" 539 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 5.16 "IC50" "Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cells using ATTO 655- Cys-Lys-Leu-Val-Phe-Phe-Ala-Glu-Asp-Trp as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "cefonicid" 542 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.48 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefonicid" 542 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefonicid" 542 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.04 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefonicid" 542 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 4.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefonicid" 542 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1601" "INHIBITOR" "Escherichia coli (strain K12)" "cefoperazone" 543 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefoperazone" 543 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200482" "INHIBITOR" "Escherichia coli (strain K12)" "ceforanide" 544 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "ceforanide" 544 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201046" "INHIBITOR" "Escherichia coli (strain K12)" "cefotaxime" 546 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 6.244 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" "cefotaxime" 546 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.512 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" "cefotaxime" 546 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.659 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" "cefotaxime" 546 "Beta-lactamase" "Enzyme" "B2ZTR6" "B2ZTR6_ACIBA" 6.3 "Ki" "Activity of Acinetobacter baumannii ADC-33 beta-lactamase" "CHEMBL" "=" "Acinetobacter baumannii" "cefotaxime" 546 "Beta-lactamase" "Enzyme" "D6NSM8" "ampC" "D6NSM8_ACIBA" 5.6 "Ki" "Activity of Acinetobacter baumannii ADC-11 beta-lactamase" "CHEMBL" "=" "Acinetobacter baumannii" "cefotaxime" 546 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 4.617 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1010" "INHIBITOR" "Escherichia coli (strain K12)" "cefotetan" 547 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.05 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefotetan" 547 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefotetan" 547 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 4.49 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefotetan" 547 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 4.85 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefotetan" 547 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.72 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefotetan" 547 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.89 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefotetan" 547 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL474579" "INHIBITOR" "Escherichia coli (strain K12)" "cefotiam" 548 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefotiam" 548 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.46 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefotiam" 548 "Vasoactive intestinal polypeptide receptor 1" "GPCR" "P32241" "VIPR1" "VIPR1_HUMAN" 4.47 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "cefotiam" 548 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1296" "INHIBITOR" "Escherichia coli (strain K12)" "cefoxitin" 550 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefoxitin" 550 "Beta-lactamase" "Enzyme" "P00808" "penP" "BLAC_BACLI" "WOMBAT-PK" "Bacillus licheniformis" "cefoxitin" 550 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 6.85 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "Citrobacter freundii" "cefoxitin" 550 "Beta-lactamase" "Enzyme" "B2ZTR6" "B2ZTR6_ACIBA" 7 "Ki" "Activity of Acinetobacter baumannii ADC-33 beta-lactamase" "CHEMBL" "=" "Acinetobacter baumannii" "cefoxitin" 550 "Beta-lactamase" "Enzyme" "D6NSM8" "ampC" "D6NSM8_ACIBA" 6.3 "Ki" "Activity of Acinetobacter baumannii ADC-11 beta-lactamase" "CHEMBL" "=" "Acinetobacter baumannii" "cefoxitin" 550 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 5.48 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "cefoxitin" 550 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL996" "INHIBITOR" "Escherichia coli (strain K12)" "cefpiramide" 552 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201204" "INHIBITOR" "Escherichia coli (strain K12)" "cefprozil" 556 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefsulodin" 558 "Beta-adrenergic receptor kinase 1" "Kinase" "P25098" "GRK2" "ARBK1_HUMAN" 7.15 "EC50" "PUBCHEM_BIOASSAY: Dose Response of inhibitors of GRK2 binding with RNA aptamer, Cherry Pick 1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488855]" "CHEMBL" "=" "Tbio" "Homo sapiens" "cefsulodin" 558 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.522 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "cefsulodin" 558 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.328 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "cefsulodin" 558 "Tyrosine-protein phosphatase non-receptor type 11" "Enzyme" "Q06124" "PTPN11" "PTN11_HUMAN" 4.77 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "cefsulodin" 558 "Lethal(3)malignant brain tumor-like protein 1" "Unclassified" "Q9Y468" "L3MBTL1" "LMBL1_HUMAN" 7.01 "IC50" "Inhibition of L3MBTL1 (unknown origin) by AlphaScreen assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "cefsulodin" 558 "Protein-tyrosine phosphatase 1C" "Enzyme" "P29350" "PTPN6" "PTN6_HUMAN" 4.68 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "cefsulodin" 558 "tRNA 2'-phosphotransferase" "Unclassified" "Q5A7N4" "TPT1" "Q5A7N4_CANAL" 5.77 "IC50" "Active" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "ceftazidime" 559 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 6.261 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44354" "INHIBITOR" "Escherichia coli (strain K12)" "ceftazidime" 559 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.534 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44354" "INHIBITOR" "Escherichia coli (strain K12)" "ceftazidime" 559 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 4.96 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44354" "INHIBITOR" "Escherichia coli (strain K12)" "ceftibuten" 562 "Penicillin-binding protein" "Enzyme" "Q1J5W5" "Q1J5W5_STRPF" "WOMBAT-PK" "Streptococcus pyogenes serotype M4 (strain MGAS10750)" "ceftibuten" 562 "Penicillin-binding protein 3" "Enzyme" "Q60FU1" "pbp3" "Q60FU1_HAEIF" "WOMBAT-PK" "Haemophilus influenzae" "ceftibuten" 562 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1605" "INHIBITOR" "Escherichia coli (strain K12)" "ceftizoxime" 563 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "ceftizoxime" 563 "Beta-lactamase" "Enzyme" "P00808" "penP" "BLAC_BACLI" "WOMBAT-PK" "Bacillus licheniformis" "ceftizoxime" 563 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL528" "INHIBITOR" "Escherichia coli (strain K12)" "ceftriaxone" 564 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 6.142 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" "ceftriaxone" 564 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.513 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" "ceftriaxone" 564 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.744 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" "ceftriaxone" 564 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 6.213 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL161" "INHIBITOR" "Escherichia coli (strain K12)" "ceftriaxone" 564 "D-amino-acid oxidase" "Enzyme" "P14920" "DAO" "OXDA_HUMAN" 5 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "cefuroxime" 565 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefuroxime" 565 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.92 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefuroxime" 565 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 4.37 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefuroxime" 565 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefuroxime" 565 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1436" "INHIBITOR" "Escherichia coli (strain K12)" "cefuroxime axetil" 566 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095930" "INHIBITOR" "Escherichia coli (strain K12)" "celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.24 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL118" "INHIBITOR" "Tclin" "Homo sapiens" "celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.3 "IC50" "Inhibition of COX-1 in U-937 (human lymphoma) cell microsomes." "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.854 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.477 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.14 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.16 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.917 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.18 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.856 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.3 "Ki" "Inhibitory activity against human carbonic anhydrase I (hCAI)" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.06 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.8 "Ki" "Inhibitory activity against human carbonic anhydrase IX at 0.09 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.74 "Ki" "Inhibitory activity against cloned human CA12" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.1 "Ki" "Inhibition of human recombinant carbonic anhydrase 5a after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.03 "Ki" "Inhibition of human recombinant carbonic anhydrase 5b after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.66 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 4.44 "IC50" "Fluorescence Polarization Assay: PDE activity was measured using the IMAP fluorescence polarization assay (Molecular Devices) in which binding of hydrolyzed cyclic nucleotide substrate to immobilized metal coordination complexes increases fluorescence polarization (FP). Tetramethylrhodamine (TAMRA)-cGMP and fluorescein-cAMP were used as substrates, each at final concentration of 50 nmol/L. The PDE assay was done according to the manufacturer's specifications using either whole cell lysates or recombinant enzymes. FP was measured at excitation, emission wavelengths of either 530,590 nm for TAMRA-cGMP or 485,530 nm for fluorescein-cAMP using a Synergy4 (Biotek) microplate reader." "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.033 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 5.93 "IC50" "Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 6.19 "IC50" "Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells using Boc-Lys-(Ac)-AMC as substrate preincubated for 15 mins followed by substrate addition measured after 60 mins by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.13 "Ki" "Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.03 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.16 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.09 "IC50" "Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score=-12.4 kcal/mol" "CHEMBL" "=" "Tchem" "Homo sapiens" "celecoxib" 568 "Cytochrome c oxidase subunit 2" "Enzyme" "P00403" "MT-CO2" "COX2_HUMAN" 6.27 "IC50" "Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "celecoxib" 568 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 4.32 "IC50" "Inhibition of recombinant PDK1 using RPRAATF as substrate by scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "celecoxib" 568 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.627 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 9.29 "IC50" "Inhibition of LPS-induced COX2 activity in C57BL/6J mouse peritoneal macrophages by RIA" "CHEMBL" "=" "Mus musculus" "celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 9.15 "IC50" "Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages" "CHEMBL" "=" "Mus musculus" "celecoxib" 568 "Cyclooxygenase 2; Prostaglandin G/H synthase-2; Uncharacterized protein" "Enzyme" "Q8SPQ9" "PTGS2" "Q8SPQ9_CANFA" 6.05 "IC50" "In vitro inhibitory activity against canine prostaglandin G/H synthase 2." "CHEMBL" "=" "Canis familiaris" "celecoxib" 568 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 6.54 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)" "CHEMBL" "=" "Bos taurus" "celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 8.43 "IC50" "Inhibition of COX1" "CHEMBL" "=" "Ovis aries" "celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "O62698" "PTGS2" "PGH2_BOVIN" 7.24 "IC50" "In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)" "CHEMBL" "=" "Bos taurus" "celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "P35355" "Ptgs2" "PGH2_RAT" 5.96 "IC50" "In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2" "CHEMBL" "=" "Rattus norvegicus" "celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 4.85 "IC50" "In vitro inhibitory concentration against rat prostaglandin G/H synthase 1" "CHEMBL" "=" "Rattus norvegicus" "celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "Q8HZR1" "PTGS1" "PGH1_CANFA" 5.25 "IC50" "In vitro inhibitory activity against canine prostaglandin G/H synthase 1." "CHEMBL" "=" "Canis familiaris" "celecoxib" 568 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 7.4 "IC50" "Inhibition of ovine COX2" "CHEMBL" "=" "Ovis aries" "celecoxib" 568 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.85 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "celecoxib" 568 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.41 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" "celecoxib" 568 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.01 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 after 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "celecoxib" 568 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.35 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "celecoxib" 568 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 5.11 "IC50" "Inhibition of bovine COX1 by enzyme immunoassay" "CHEMBL" "=" "Bos taurus" "celecoxib" 568 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.97 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "celecoxib" 568 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.68 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "celecoxib" 568 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.11 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "celecoxib" 568 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.94 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" "celecoxib" 568 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.47 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "celecoxib" 568 "Cytochrome c oxidase subunit 2" "Enzyme" "O78750" "MT-CO2" "COX2_SHEEP" 7.22 "IC50" "Inhibition of sheep COX2" "CHEMBL" "=" "Ovis aries" "celecoxib" 568 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.16 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "celecoxib" 568 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 5.51 "Ki" "Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "celecoxib" 568 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.14 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "Astrosclera willeyana" "celecoxib" 568 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.99 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "celecoxib" 568 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.58 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "celecoxib" 568 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.15 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "celecoxib" 568 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 6.37 "IC50" "Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "celecoxib" 568 "Cytochrome c oxidase subunit 1" "Enzyme" "O78749" "MT-CO1" "COX1_SHEEP" 4.61 "IC50" "Inhibition of sheep COX1" "CHEMBL" "=" "Ovis aries" "celecoxib" 568 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.76 "Ki" "CHEMBL" "=" "Anopheles gambiae" "celecoxib" 568 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.01 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "celecoxib" 568 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.16 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "celiprolol" 569 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.8 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "celiprolol" 569 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.05 "Ki" "CHEMBL" "=" "Rattus norvegicus" "celiprolol" 569 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9205952" "ANTAGONIST" "Tclin" "Homo sapiens" "cefalexin" 571 "Penicillin-binding protein 3" "Enzyme" "P42971" "pbpC" "PBPC_BACSU" "WOMBAT-PK" "Bacillus subtilis (strain 168)" "cefalexin" 571 "Solute carrier family 15 member 2" "Transporter" "Q16348" "SLC15A2" "S15A2_HUMAN" 4.38 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "cefalexin" 571 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1727" "INHIBITOR" "Escherichia coli (strain K12)" "cefaloglycin" 572 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200971" "INHIBITOR" "Escherichia coli (strain K12)" "cefalotin" 574 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefalotin" 574 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefalotin" 574 "Solute carrier family 22 member 8" "Transporter" "Q8TCC7" "SLC22A8" "S22A8_HUMAN" 7.59 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "cefalotin" 574 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.66 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefalotin" 574 "Solute carrier family 22 member 11" "Transporter" "Q9NSA0" "SLC22A11" "S22AB_HUMAN" 6.7 "Ki" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "cefalotin" 574 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 4.4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefalotin" 574 "Tyrosine-protein phosphatase non-receptor type 7" "Enzyme" "P35236" "PTPN7" "PTN7_HUMAN" 6.04 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefalotin" 574 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL617" "INHIBITOR" "Escherichia coli (strain K12)" "cefapirin" 575 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.07 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.66 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.21 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.31 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.48 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 4.82 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 4.59 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefapirin" 575 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 4.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.84 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.01 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefapirin" 575 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.06 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 4.89 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 4.85 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 4.85 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefapirin" 575 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 5.11 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 5.17 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefapirin" 575 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1599" "INHIBITOR" "Escherichia coli (strain K12)" "cefradine" 576 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cefradine" 576 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.4 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cefradine" 576 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cefradine" 576 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1604" "INHIBITOR" "Escherichia coli (strain K12)" "cerivastatin" 577 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "cerivastatin" 577 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 8 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1477" "INHIBITOR" "Tclin" "Homo sapiens" "cerivastatin" 577 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.55 "IC50" "Inhibition of rat microsomal HMG-CoA reductase assessed as inhibition of cholesterol synthesis after 30 mins" "CHEMBL" "=" "Rattus norvegicus" "cerulenin" 578 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.24 "IC50" "Inhibition of human FAS assessed as synthesis of long chain fatty acids from malonyl CoA after 60 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "cerulenin" 578 "Coagulation factor XIII A chain" "Enzyme" "P00488" "F13A1" "F13A_HUMAN" 5.4 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "cerulenin" 578 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 5.6 "IC50" "The compound was tested for its affinity against HIV-1 protease in vitro" "CHEMBL" "=" "Human immunodeficiency virus 1" "ceruletide" 579 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201355" "AGONIST" "Tclin" "Homo sapiens" "cetirizine" 581 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.52 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "cetirizine" 581 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.91 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1000" "ANTAGONIST" "Tclin" "Homo sapiens" "cetirizine" 581 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 4.05 "Kd" "Binding affinity to human recombinant Tie2 by SPR assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cetrorelix" 583 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "cetrorelix" 583 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8.8 "Ki" "GRAC: human GnRH1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200490" "ANTAGONIST" "Tclin" "Homo sapiens" "cevimeline" 584 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.638 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL168815" "AGONIST" "Tclin" "Homo sapiens" "cevimeline" 584 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.983 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cevimeline" 584 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.319 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL168815" "AGONIST" "Tclin" "Homo sapiens" "cevimeline" 584 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.883 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cevimeline" 584 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.201 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorambucil" 588 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorambucil" 588 "Cathepsin D" "Enzyme" "P07339" "CTSD" "CATD_HUMAN" 8.93 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chlorambucil" 588 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.026 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "chlorambucil" 588 "Cathepsin E" "Enzyme" "P14091" "CTSE" "CATE_HUMAN" 8.78 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chlorambucil" 588 "Disintegrin and metalloproteinase domain-containing protein 9" "Enzyme" "Q13443" "ADAM9" "ADAM9_HUMAN" 7.25 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chloramphenicol" 589 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chloramphenicol" 589 "Chloramphenicol acetyltransferase" "Enzyme" "P62580" "cat" "CAT_SALTI" 4.89 "Kd" "WOMBAT-PK" "=" "Salmonella typhi" "chloramphenicol" 589 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.01 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "chloramphenicol" 589 "Probable HTH-type transcriptional regulator TtgR" "Unclassified" "Q88N29" "ttgR" "TTGR_PSEPK" 4.88 "Kd" "WOMBAT-PK" "=" "Pseudomonas putida (strain KT2440)" "chlorcyclizine" 593 "Apoptosis regulator Bcl-2" "Cytosolic other" "P10415" "BCL2" "BCL2_HUMAN" 4.22 "Kd" "Binding affinity to Bcl-2 by NMR titration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlordiazepoxide" 594 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.682 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlordiazepoxide" 594 "Thyrotropin-releasing hormone receptor" "GPCR" "P34981" "TRHR" "TRFR_HUMAN" 6.538 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlordiazepoxide" 594 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.3 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "Electrophorus electricus" "chlordiazepoxide" 594 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 6.36 "Ki" "Binding affinity against rat benzodiazepine (BZD) receptor" "CHEMBL" "=" "Rattus norvegicus" "chlordiazepoxide" 594 "Thyrotropin-releasing hormone receptor" "GPCR" "Q01717" "Trhr" "TRFR_RAT" 4.82 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "chlordiazepoxide" 594 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.52 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "Equus caballus" "chlordiazepoxide" 594 "Thyrotropin-releasing hormone receptor" "GPCR" "P21761" "Trhr" "TRFR_MOUSE" 4.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "chlordiazepoxide" 594 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 6.252 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlordiazepoxide" 594 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 6.337 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlordiazepoxide" 594 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" 6.561 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlordiazepoxide" 594 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 6.495 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL451" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlordiazepoxide" 594 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 6.25 "Ki" "Inhibition of [3H]Ro-151788 binding to human GABA A receptor (alpha-1-beta-3-gamma-2) stably expressed in L(tk-) cells." "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlordiazepoxide" 594 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 6.7 "IC50" "Inhibitory concentration against specific binding of [3H]diazepam to Benzodiazepine receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "chlordiazepoxide" 594 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRB1|GABRA2|GABRA3|GABRA4|GABRG2" "GBRA1_BOVIN|GBRB1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRG2_BOVIN" 6.1 "IC50" "Inhibition of [3H]flunitrazepam binding to benzodiazepine receptor in bovine brain membrane" "CHEMBL" "=" "Bos taurus" "chlordiazepoxide" 594 "Cholecystokinin receptor" "GPCR" "P32238|P32239" "CCKAR|CCKBR" "CCKAR_HUMAN|GASR_HUMAN" 4 "IC50" "Binding affinity towards cholecystokinin receptor by displacement of [125I]CCK-33 from guinea pig brain tissue" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlordiazepoxide" 594 "Cholecystokinin receptor" "GPCR" "P30551|P30553" "Cckar|Cckbr" "CCKAR_RAT|GASR_RAT" 4 "IC50" "Binding affinity towards cholecystokinin receptor by the displacement of [125I]CCK-33 in rat pancreatic tissue" "CHEMBL" "=" "Rattus norvegicus" "chlorhexidine" 597 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.12 "IC50" "Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorhexidine" 597 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.12 "IC50" "Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorhexidine" 597 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 6.68 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorhexidine" 597 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 5.7 "Ki" "Inhibitory constant against recombinant Trypanosoma cruzi trypanothione reductase was determined photometrically at 25 degree C in TR assay buffer (40 mM Hepes, 1 mM EDTA, pH 7.5)" "CHEMBL" "=" "Trypanosoma cruzi" "chlorhexidine" 597 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 6.4 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorhexidine" 597 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.15 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorhexidine" 597 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.3 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorhexidine" 597 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 6.39 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorhexidine" 597 "CAAX prenyl protease 2" "Enzyme" "Q03530" "RCE1" "RCE1_YEAST" 5.24 "AC50" "Active" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "chlorhexidine" 597 "Synaptojanin-2" "Enzyme" "O15056" "SYNJ2" "SYNJ2_HUMAN" 5 "IC50" "Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cells assessed as reduction in 5'-phosphatase activity incubated for 8 mins using fluorescently-labeled PI(3,4)P2 probe and Tapp1 PH-domain as detector protein by fluorescence polarization competitive assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "chlormadinone" 600 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.34 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "chlormadinone" 600 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.764 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlormadinone" 600 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.523 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "chlormadinone" 600 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.68 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "chlormadinone" 600 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.163 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "clomethiazole" 602 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chloroprocaine" 605 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179047" "BLOCKER" "Tclin" "Homo sapiens" "chloropyramine" 606 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.24 "Kd" "Binding affinity to biotinylated human FAK FAT domain by biolayer interoferometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.36 "Ki" "Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.1 "Ki" "Displacement of [3H]-pentazocin from the Sigma1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 4.5 "Ki" "Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.04 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.33 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.48 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.24 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 4.66 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5 "Ki" "Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroquine" 607 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 5.82 "IC50" "Inhibition of human recombinant NQO2" "CHEMBL" "=" "Tchem" "Homo sapiens" "chloroquine" 607 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 5.16 "IC50" "Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed as reduction in amyloid beta (1 to 40) level after 24 hrs by ELISA method" "CHEMBL" "=" "Tchem" "Homo sapiens" "chloroquine" 607 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.4 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "chloroquine" 607 "Histidine-rich protein PFHRP-II" "Cytosolic other" "P05227" "HRP1_PLAFA" 6.4 "IC50" "Inhibition of beta-hematin polymerization" "CHEMBL" "=" "Plasmodium falciparum" "chloroquine" 607 "Riboflavin-binding protein" "Unclassified" "P02752" "RBP_CHICK" 5.68 "Kd" "Binding affinity to chicken riboflavin binding protein assessed as dissociation constant at pH 7.4 in phosphate buffer by isothermal titration calorimetric assay" "CHEMBL" "=" "Gallus gallus" "chloroquine" 607 "Dihydrofolate reductase" "Enzyme" "P00376" "DHFR" "DYR_BOVIN" 7.52 "IC50" "Inhibition of bovine liver DHFR" "CHEMBL" "=" "Bos taurus" "chloroquine" 607 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 5.16 "IC50" "Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhibition of amyloid beta (1 to 40 residues) production measured after 24 hrs" "CHEMBL" "=" "Homo sapiens" "chloroquine" 607 "Transmembrane protein 97" "Enzyme" "Q5BJF2" "TMEM97" "TMM97_HUMAN" 6.3 "Ki" "Displacement of [3H]-DTG from the Sigma2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "chloroquine" 607 "Cysteine proteinase falcipain 2a" "Enzyme" "Q9N6S8" "" "Q9N6S8_PLAFA" 7.7 "IC50" "Inhibition of falcipain-2 in chloroquine sensitive Plasmodium falciparum MRC-02 schizont stage infected in human erythrocytes assessed as reduction in bacterial growth after 24 hrs by Giemsa staining based assay" "CHEMBL" "=" "Plasmodium falciparum" "chlorothiazide" 609 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "chlorothiazide" 609 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 5.43 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL842" "INHIBITOR" "Tclin" "Homo sapiens" "chlorotrianisene" 610 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "chlorotrianisene" 610 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" "Mechanism of Action; CHEMBL242; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200761" "MODULATOR" "Tclin" "Homo sapiens" "chloroxine" 611 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 5.44 "IC50" "Inhibition of human 5-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "chloroxine" 611 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 5.62 "IC50" "Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "chloroxine" 611 "Arachidonate 12-lipoxygenase, 12S-type" "Enzyme" "P18054" "ALOX12" "LOX12_HUMAN" 5.72 "IC50" "Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "chloroxine" 611 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 4.94 "IC50" "Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay" "CHEMBL" "=" "Clostridium botulinum" "chloroxine" 611 "Arachidonate 15-lipoxygenase, type II" "Enzyme" "O15296" "ALOX15B" "LX15B_HUMAN" 4.55 "IC50" "Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-2 assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorphenamine" 616 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.96 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorphenamine" 616 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.818 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorphenamine" 616 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.167 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorphenamine" 616 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL505" "ANTAGONIST" "Tclin" "Homo sapiens" "chlorphenamine" 616 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.67 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chlorphenamine" 616 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.967 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorphenamine" 616 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.06 "IC50" "Inhibition of [3H]mepyramine binding to the Histamine H1 receptor in guinea pig cortex" "CHEMBL" "=" "Cavia porcellus" "chlorphenamine" 616 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.7 "Ki" "Ability to displace [3H]pyrilamine from histamine H1 receptor in male Sprague-Dawley rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "chlorphenamine" 616 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlorphenamine" 616 "Lethal(3)malignant brain tumor-like protein 1" "Unclassified" "Q9Y468" "L3MBTL1" "LMBL1_HUMAN" 4.39 "IC50" "Inhibition of L3MBTL1 by alpha-screening" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorphenamine" 616 "Lethal(3)malignant brain tumor-like protein 3" "Unclassified" "Q96JM7" "L3MBTL3" "LMBL3_HUMAN" 4.38 "IC50" "Inhibition of L3MBTL3 by alpha-screening" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorphenamine" 616 "MBT domain-containing protein 1" "Unclassified" "Q05BQ5" "MBTD1" "MBTD1_HUMAN" 4.47 "IC50" "Inhibition of MBTD1 by alpha-screening" "CHEMBL" "=" "Tdark" "Homo sapiens" "chlorphenamine" 616 "Chloroquine resistance transporter" "Transporter" "Q9N623" "CRT" "CRT_PLAFA" 4.27 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-chloroquine transportation after 1 to 2 hrs" "CHEMBL" "=" "Plasmodium falciparum" "chlorphenamine" 616 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.842 "Kd" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9537821" "Tclin" "Homo sapiens" "chlorphenamine" 616 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.975 "Kd" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9537821" "Tclin" "Homo sapiens" "chlorphentermine" 618 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.471 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201269" "SUBSTRATE" "Tclin" "Homo sapiens" "chlorphentermine" 618 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.404 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorproethazine" 619 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.979 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorproethazine" 619 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.987 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorproethazine" 619 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.638 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.233 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.19 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL71" "ANTAGONIST" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.724 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.83 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.22 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.92 "IC50" "Binding affinity to SERT (unknown origin) by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.721 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.17 "Ki" "Compound was evaluated for the binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.28 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.44 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.41 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 9.553 "Ki" "PDSP" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.54 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "chlorpromazine" 621 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.93 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.759 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.87 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.602 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.746 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.251 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.398 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.377 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.244 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.827 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.345 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.678 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.155 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.69 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.708 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.01 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.092 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.353 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 5.91 "Kd" "Binding affinity to human calmodulin expressed in Escherichia coli using M124C-mBBr fluorescent biosensor by spectrofluorometer analysis" "CHEMBL" "=" "Tclin|Tclin|Tclin" "Homo sapiens" "chlorpromazine" 621 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.133 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.928 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.463 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.54 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 5.57 "IC50" "Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.061 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.713 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Ryanodine receptor 1" "Ion channel" "P21817" "RYR1" "RYR1_HUMAN" 3.569 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.7 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.57 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.043 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 5.49 "Ki" "Inhibition of Trypanosoma cruzi recombinant trypanothione reductase" "CHEMBL" "=" "Trypanosoma cruzi" "chlorpromazine" 621 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.797 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "chlorpromazine" 621 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.305 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "chlorpromazine" 621 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.736 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "chlorpromazine" 621 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.835 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorpromazine" 621 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.146 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.673 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.777 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "chlorpromazine" 621 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.07 "IC50" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.3 "Ki" "CHEMBL" "=" "Cavia porcellus" "chlorpromazine" 621 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.92 "Ki" "Compound was tested for inhibitory activity against the binding of [3H]spiperone to Dopamine receptor D2 in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.75 "Ki" "The compound was tested for its binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 radioligand in rat hippocampus" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.68 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 5.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "chlorpromazine" 621 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.46 "Ki" "In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.1 "IC50" "Competition in vitro with the dopamine receptor D2 antagonist [3H]spiperone, for binding sites on calf caudate membranes." "CHEMBL" "=" "Bos taurus" "chlorpromazine" 621 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "O35433" "Trpv1" "TRPV1_RAT" 5.89 "Ki" "Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "chlorpromazine" 621 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.35 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "chlorpromazine" 621 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.854 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.89 "IC50" "Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method" "CHEMBL" "=" "Torpedo californica" "chlorpromazine" 621 "Glutamate [NMDA] receptor" "Ion channel" "O15399|O60391|Q05586|Q12879|Q13224|Q14957|Q8TCU5" "GRIN2D|GRIN3B|GRIN1|GRIN2A|GRIN2B|GRIN2C|GRIN3A" "NMDE4_HUMAN|NMD3B_HUMAN|NMDZ1_HUMAN|NMDE1_HUMAN|NMDE2_HUMAN|NMDE3_HUMAN|NMD3A_HUMAN" 6.22 "IC50" "Inhibition of [3H]1 binding to dextromethorpin binding site of guinea pig microsomal pellet P3 N-methyl-D-aspartate glutamate receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlorpromazine" 621 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3b|Grin3a" "NMDZ1_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMD3B_RAT|NMD3A_RAT" 5.89 "IC50" "Binding affinity against dextromethorpin binding site of N-methyl-D-aspartate glutamate receptor from rat brain using [3H]1" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 7.22 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD2|DRD1" "DRD2_BOVIN|DRD1_BOVIN" 7.6 "IC50" "compound was tested for its ability to displace [3H]- spiroperidol from dopamine receptor." "CHEMBL" "=" "Bos taurus" "chlorpromazine" 621 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 7.85 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.37 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlorpromazine" 621 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.15 "Ki" "Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy3|Adcy2|Adcy4|Adcy8|Adcy6|Adcy5" "D4A3N4_RAT|ADCY3_RAT|ADCY2_RAT|ADCY4_RAT|ADCY8_RAT|ADCY6_RAT|ADCY5_RAT|Q8CFM9_RAT" 6.93 "Ki" "Inhibitory activity against Dopamine sensitive adenylate cyclase in rats" "CHEMBL" "=" "Rattus norvegicus" "chlorpromazine" 621 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.99 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorpromazine" 621 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 5.6 "IC50" "Displacement of [3H]W-7 from bovine brain CaM" "CHEMBL" "=" "Bos taurus" "chlorpromazine" 621 "Major prion protein" "Unclassified" "P04925" "Prnp" "PRIO_MOUSE" 5.7 "EC50" "Activity at mouse prion protein expressed in Escherichia coli" "CHEMBL" "=" "Mus musculus" "chlorpromazine" 621 "Sphingomyelin phosphodiesterase" "Enzyme" "P17405" "SMPD1" "ASM_HUMAN" 4.96 "IC50" "Inhibition of mmLDL-stimulated acid sphingomyelinase in human PBMC lysates using 3H-sphingomyelin as substrate preincubated for 30 mins followed by mmLDL stimulation measured after 2 hrs by HPLC method" "CHEMBL" "=" "Tbio" "Homo sapiens" "chlorpropamide" 622 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 4.4 "Ki" "Inhibition of rat Oat1 expressed in Xenopus oocytes" "CHEMBL" "=" "Rattus norvegicus" "chlorpropamide" 622 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 5.046 "Kd" "[86]Rb+ efflux in RINm5F insulinoma cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2445740" "https://pubmed.ncbi.nlm.nih.gov/2445740" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "chlorprothixene" 623 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.74 "Ki" "Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorprothixene" 623 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.53 "Ki" "Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL908" "ANTAGONIST" "Tclin" "Homo sapiens" "chlorprothixene" 623 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.367 "Ki" "PDSP" "Tclin" "Homo sapiens" "chlorprothixene" 623 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.52 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorprothixene" 623 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.34 "Ki" "Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells" "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "chlorprothixene" 623 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 8.05 "Ki" "Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorprothixene" 623 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.43 "Ki" "Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorprothixene" 623 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.959 "Ki" "PDSP" "Tclin" "Homo sapiens" "chlorprothixene" 623 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.553 "Ki" "PDSP" "Tclin" "Homo sapiens" "chlorprothixene" 623 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.658 "Ki" "PDSP" "Tclin" "Homo sapiens" "chlorprothixene" 623 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.745 "Ki" "PDSP" "Tclin" "Homo sapiens" "chlorprothixene" 623 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.602 "Ki" "PDSP" "Tclin" "Homo sapiens" "chlorprothixene" 623 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.194 "Ki" "PDSP" "Tchem" "Homo sapiens" "chlorprothixene" 623 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.11 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorprothixene" 623 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.25 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "chlorprothixene" 623 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.97 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "chlorprothixene" 623 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.29 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "chlortetracycline" 624 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 4 "IC50" "Inhibition of PAD4 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortetracycline" 624 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "chlortetracycline" 624 "Protein-arginine deiminase type-4" "Enzyme" "Q9UM07" "PADI4" "PADI4_HUMAN" 4 "IC50" "Inhibition of PAD4 by ABPP-based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.56 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" "Mechanism of Action; CHEMBL1876; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1055" "INHIBITOR" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.46 "Ki" "Inhibition of human recombinant full length CA1 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.71 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.64 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.35 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.04 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 8.05 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.55 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.96 "Ki" "Inhibition of human recombinant full length CA3 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.87 "Ki" "Inhibition of human recombinant full length CA6 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.38 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlortalidone" 625 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.82 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "chlorzoxazone" 626 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 4 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "chlorzoxazone" 626 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 4.85 "IC50" "Inhibitory activity against Inducible nitric oxide synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorzoxazone" 626 "Nitric oxide synthase, brain" "Enzyme" "P29475" "NOS1" "NOS1_HUMAN" 4.3 "IC50" "Inhibitory activity against Neuronal nitric oxide synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorzoxazone" 626 "Nitric oxide synthase, endothelial" "Enzyme" "P29474" "NOS3" "NOS3_HUMAN" 5.06 "IC50" "Inhibitory activity against Endothelial nitric oxide synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "chlorzoxazone" 626 "Nitric oxide synthase, brain" "Enzyme" "P29476" "Nos1" "NOS1_RAT" 5.554 "IC50" "DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine)" "DRUG MATRIX" "=" "Rattus norvegicus" "chlorzoxazone" 626 "Small conductance calcium-activated potassium channel protein 2" "Ion channel" "P70604" "Kcnn2" "KCNN2_RAT" 4.1 "EC50" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" "chlorzoxazone" 626 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" 4.523 "EC50" "Chlorzoxazone-stimulated activity of BK(Ca) channels in neuroblastoma IMR-32 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12480161" "https://pubmed.ncbi.nlm.nih.gov/12480161" "OPENER" "Tclin" "Homo sapiens" "cianidanol" 629 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.03 "IC50" "Inhibition of COX2" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.44 "IC50" "Inhibition of COX1" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.74 "Ki" "Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.62 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.31 "Ki" "Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.3 "Ki" "Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.33 "Ki" "Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.31 "Kd" "Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 4.8 "IC50" "Inhibition of N-terminal GST-His-tagged c-KIT (544 to 976 amino acids) D816V mutant (unknown origin) expressed in Sf9 insect cells using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and subsequent inhibition for 2 hrs by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.38 "Ki" "Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.4 "Ki" "Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.35 "Ki" "Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.45 "Ki" "Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.31 "Ki" "Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.94 "Ki" "Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 4.52 "IC50" "Inhibition of human Beta-secretase 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "cianidanol" 629 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.39 "Kd" "Binding affinity to COX1 in sheep seminal vesicle" "CHEMBL" "=" "Ovis aries" "cianidanol" 629 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.07 "Ki" "Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry based Dixon plot analysis" "CHEMBL" "=" "Agaricus bisporus" "cianidanol" 629 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 4.98 "Ki" "Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cianidanol" 629 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.11 "Ki" "CHEMBL" "=" "Mus musculus" "cianidanol" 629 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.1 "IC50" "Inhibition of bovine seminal vesicle microsomal COX1-mediated prostaglandin production" "CHEMBL" "=" "Bos taurus" "cianidanol" 629 "Arginase" "Enzyme" "O96394" "O96394_LEIAM" 6.22 "Ki" "Noncompetitive inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate by Dixon reciprocal plot analysis" "CHEMBL" "=" "Leishmania amazonensis" "cianidanol" 629 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 4.48 "IC50" "Inhibition of wild type Amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay" "CHEMBL" "=" "Homo sapiens" "cianidanol" 629 "Dihydroorotate dehydrogenase" "Enzyme" "Q4QEW7" "DHODH" "Q4QEW7_LEIMA" 4.01 "IC50" "Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured after 60 secs" "CHEMBL" "=" "Leishmania major" "cianidanol" 629 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.07 "Ki" "Competitive type inhibition of monophenolase activity of mushroom tyrosinase assessed as reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry based Dixon plot analysis" "CHEMBL" "=" "Agaricus bisporus" "cianidanol" 629 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 4.48 "IC50" "Inhibition of wild type Amyloid beta (1 to 42) (unknown origin) aggregation by Thioflavin-T fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "cianidanol" 629 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 4.8 "IC50" "Inhibition of N-terminal GST-His-tagged c-KIT (544 to 976 amino acids) D816V mutant (unknown origin) expressed in Sf9 insect cells using poly[Glu:Tyr] (4:1) as substrate preincubated for 20 mins followed by [33P-gamma]ATP addition and subsequent inhibition for 2 hrs by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cibenzoline" 630 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.06 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "cibenzoline" 630 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q14654" "KCNJ11" "KCJ11_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "cibenzoline" 630 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.33 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cicaprost" 631 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cicaprost" 631 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cicaprost" 631 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cicaprost" 631 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cicaprost" 631 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 5.873 "Ki" "PDSP" "Tclin" "Homo sapiens" "cicaprost" 631 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5.873 "Ki" "PDSP" "Tclin" "Homo sapiens" "cicaprost" 631 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 5.9 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "cicaprost" 631 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 6.77 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "cicaprost" 631 "Prostacyclin receptor" "GPCR" "P43252" "Ptgir" "PI2R_MOUSE" 8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "cyclacillin" 632 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cyclacillin" 632 "Bacterial penicillin-binding protein" "Enzyme" "P02918|P02919|P08506|P0AD65|P0AD68|P0AEB2|P24228" "mrcA|mrcB|dacC|mrdA|ftsI|dacA|dacB" "PBPA_ECOLI|PBPB_ECOLI|DACC_ECOLI|PBP2_ECOLI|FTSI_ECOLI|DACA_ECOLI|DACB_ECOLI" "Mechanism of Action; CHEMBL2354204; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200356" "INHIBITOR" "Escherichia coli (strain K12)" "ciclesonide" 633 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.43 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2040682" "AGONIST" "Tclin" "Homo sapiens" "ciclopirox" 636 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 6.8 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ciclopirox" 636 "Poly [ADP-ribose] polymerase 1" "Unclassified" "P09874" "PARP1" "PARP1_HUMAN" 6.8 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ciclopirox" 636 "Deoxyhypusine hydroxylase" "Enzyme" "Q9BU89" "DOHH" "DOHH_HUMAN" 5.3 "IC50" "Inhibition of DOHH (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "cicloprolol" 637 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cicloprolol" 637 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cidofovir" 639 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL152" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "cilastatin" 640 "Dipeptidase 1" "Enzyme" "P16444" "DPEP1" "DPEP1_HUMAN" 6.959 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL766" "INHIBITOR" "Tclin" "Homo sapiens" "cilastatin" 640 "Dipeptidase 1" "Enzyme" "P22412" "DPEP1" "DPEP1_PIG" 6.96 "Ki" "Inhibitory activity against beta-lactamase renal dipeptidase" "CHEMBL" "=" "Sus scrofa" "cilazapril" 641 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.7 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2419701" "INHIBITOR" "Tclin" "Homo sapiens" "cilnidipine" 642 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q02294" "Cacna1b" "CAC1B_RAT" 6.7 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "cilnidipine" 642 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9298526" "https://pubmed.ncbi.nlm.nih.gov/9298526" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cilostazol" 644 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 6.7 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL799" "INHIBITOR" "Tclin" "Homo sapiens" "cilostazol" 644 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "cilostazol" 644 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 6.42 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "cimetidine" 645 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.155 "Ki" "PDSP" "Tclin" "Homo sapiens" "cimetidine" 645 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.14 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL30" "ANTAGONIST" "Tclin" "Homo sapiens" "cimetidine" 645 "Histamine H2 receptor" "GPCR" "P47747" "HRH2" "HRH2_CAVPO" 6.58 "Kd" "In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria." "CHEMBL" "=" "Cavia porcellus" "cimetidine" 645 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.92 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "cimetidine" 645 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.1 "Ki" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "cimetidine" 645 "Histamine H2 receptor" "GPCR" "P25102" "Hrh2" "HRH2_RAT" 5.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "cinacalcet" 647 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7.3 "IC50" "Inhibition Assay: Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regenerating system and test compound was added. In the second well and all remaining wells, NADPH regenerating system and acetonitrile (final concentration of 2%) was added. The final assay concentration of the NADPH regenerating system was 8.2 uM NADP+, 0.41 mM glucose-6-phosphate, 0.41 mM magnesium chloride hexahydrate and 0.4 U/ml glucose-6-phosphate dehydrogenase and 0.01 mg/mL control insect cell membrane protein. The test compound solution was serially diluted 1:3 through the eighth wells.The final concentration of the test compounds were in the range 100 uM to 45.7 nM in the eight rows. Wells 9 and 10 contained no test compound (only NADPH regenerating system and enzyme/substrate mix) and wells 11 and 12 were used as controls for background fluorescence (enzyme and substrate were added after the reaction was te" "CHEMBL" "=" "Tclin" "Homo sapiens" "cinacalcet" 647 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.49 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "cinacalcet" 647 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 7.7 "EC50" "Positive allosteric modulation of calcium sensing receptor by cell based assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201284" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "cinacalcet" 647 "Metabotropic glutamate receptor 5" "GPCR" "P31424" "Grm5" "GRM5_RAT" 4.35 "Ki" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Rattus norvegicus" "cinalukast" 648 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 8.19 "Ki" "Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]LTD4 radioligand" "CHEMBL" "=" "Cavia porcellus" "cinalukast" 648 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23859232" "ANTAGONIST" "Tclin" "Homo sapiens" "cinnarizine" 654 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.035 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.587 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.777 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.77 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.237 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.552 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.208 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.987 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.333 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.99 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.066 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.064 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.849 "Ki" "PDSP" "Tchem" "Homo sapiens" "cinnarizine" 654 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.218 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.79 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.292 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.264 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.022 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.885 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.242 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cinnarizine" 654 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.299 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "cinnarizine" 654 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.793 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "cinnarizine" 654 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.72 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cinnarizine" 654 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.97 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cinnarizine" 654 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.36 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cinoxacin" 657 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.08 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cinoxacin" 657 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" "Mechanism of Action; CHEMBL2311224; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1208" "INHIBITOR" "Escherichia coli (strain K12)" "ciprofibrate" 658 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6.05 "EC50" "Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hrs by luminescence assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15123680" "AGONIST" "Tclin" "Homo sapiens" "ciprofloxacin" 659 "DNA topoisomerase 4 subunit A" "Enzyme" "P0AFI2" "parC" "PARC_ECOLI" 5.602 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "ciprofloxacin" 659 "DNA topoisomerase 4 subunit A" "Enzyme" "Q45066" "parC" "PARC_BACSU" 5.658 "IC50" "WOMBAT-PK" "=" "Bacillus subtilis (strain 168)" "ciprofloxacin" 659 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 6 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Staphylococcus aureus" "ciprofloxacin" 659 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 6.2 "IC50" "WOMBAT-PK" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "ciprofloxacin" 659 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 5.75 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL8" "INHIBITOR" "Escherichia coli (strain K12)" "ciprofloxacin" 659 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 9.18 "Ki" "CHEMBL" "=" "Rattus norvegicus" "ciprofloxacin" 659 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 6.39 "IC50" "Inhibition of [3H]muscimol binding to GABA A receptor 4-biphenylacetic acid at 10 e-4 M" "CHEMBL" "=" "Rattus norvegicus" "ciprofloxacin" 659 "DNA topoisomerase II" "Enzyme" "P11388|Q02880" "TOP2A|TOP2B" "TOP2A_HUMAN|TOP2B_HUMAN" 7.52 "EC50" "Inhibitory activity against HeLa cell Topoisomerase II" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "ciprofloxacin" 659 "Multidrug resistance protein mdtK" "Unclassified" "P37340" "mdtK" "MDTK_ECOLI" 4.04 "Kd" "Binding affinity to Escherichia coli K-12 multidrug efflux protein YdhE expressed in Escherichia coli AG100AX in presence of 0.02% DDM surfactant by fluorescence polarization assay" "CHEMBL" "=" "Escherichia coli (strain K12)" "cisapride" 660 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 7.84 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "Cavia porcellus" "cisapride" 660 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.77 "IC50" "Binding affinity to dopamine receptor D1" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisapride" 660 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.64 "IC50" "Binding affinity to dopamine receptor D2" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.177 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.379 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.19 "IC50" "Inhibition of human ERG in MCF7 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.523 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.69 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.1 "Ki" "Binding affinity to human serotonin 5-HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisapride" 660 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.96 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisapride" 660 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.15 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisapride" 660 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.396 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.281 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.31 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.947 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7.155 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.31 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 5.472 "IC50" "DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisapride" 660 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 7.54 "Ki" "Binding affinity towards Serotonin 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1729" "AGONIST" "Tclin" "Homo sapiens" "cisapride" 660 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.063 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "cisapride" 660 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.963 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "cisapride" 660 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.52 "Ki" "The ability to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat whole brain" "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.64 "Ki" "Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand" "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 5.8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "cisapride" 660 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.77 "Ki" "The ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striata" "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 7.52 "Ki" "Compound was evaluated for the binding affinity at Alpha adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "cisapride" 660 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 8.14 "Ki" "Compound was evaluated for the binding affinity at 5- HT2 receptor" "CHEMBL" "=" "Bos taurus" "cisapride" 660 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 7.02 "Ki" "Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "Serotonin 3 (5-HT3) receptor" "Ion channel" "A5X5Y0|O95264|P46098|Q70Z44|Q8WXA8" "HTR3E|HTR3B|HTR3A|HTR3D|HTR3C" "5HT3E_HUMAN|5HT3B_HUMAN|5HT3A_HUMAN|5HT3D_HUMAN|5HT3C_HUMAN" 6.82 "Ki" "Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem|Tclin|Tchem|Tchem|Tchem|Tchem|Tclin|Tchem|Tchem|Tchem|Tchem|Tclin|Tchem|Tchem|Tchem|Tchem|Tclin|Tchem|Tchem|Tchem|Tchem|Tclin" "Homo sapiens" "cisapride" 660 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.35 "IC50" "Inhibitory activity against 5-hydroxytryptamine 1 receptor by 3H ligand binding experiments." "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.35 "Ki" "The ability to inhibit [3H]rauwolscine binding to alpha-2 adrenergic receptor in rat cortex" "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.21 "Ki" "The ability to inhibit [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor in rat whole brain" "CHEMBL" "=" "Rattus norvegicus" "cisapride" 660 "5-hydroxytryptamine receptor 4" "GPCR" "P97288" "Htr4" "5HT4R_MOUSE" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "cisatracurium" 661 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 8 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201248" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "citalopram" 663 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.777 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "citalopram" 663 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "citalopram" 663 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.935 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL549" "INHIBITOR" "Tclin" "Homo sapiens" "citalopram" 663 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.21 "Ki" "In vitro binding affinity against human norepinephrine transporter in human embryonic kidney cell line by using [3H]-nisoxatine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "citalopram" 663 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.191 "Ki" "PDSP" "Tclin" "Homo sapiens" "citalopram" 663 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.931 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "citalopram" 663 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.21 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "citalopram" 663 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.456 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "citalopram" 663 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.875 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "citalopram" 663 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.78 "Ki" "In vitro binding affinity against human dopamine transporter in dog kidney cell line by using [125I]RTI-55 radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "citalopram" 663 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.148 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "citalopram" 663 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.73 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "citalopram" 663 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.74 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "citalopram" 663 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.76 "IC50" "CHEMBL" "=" "Rattus norvegicus" "citalopram" 663 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.3 "Ki" "CHEMBL" "=" "Rattus norvegicus" "citalopram" 663 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.82 "Ki" "Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "citalopram" 663 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.03 "Ki" "Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "citalopram" 663 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 5.21 "Ki" "Displacement of [3H]nisoxetine from norepinephrine transporter of rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "citalopram" 663 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 8.54 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "citalopram" 663 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.23 "Ki" "Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "citric acid" 666 "3-dehydroquinate dehydratase" "Enzyme" "Q48255" "aroQ" "AROQ_HELPY" 5.6 "Kd" "Binding affinity for Helicobacter pylori DHQase 2" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "citric acid" 666 "3-dehydroquinate dehydratase" "Enzyme" "P15474" "aroQ" "AROQ_STRCO" 5.14 "Kd" "Binding affinity for Streptomyces coelicolor DHQase 2" "CHEMBL" "=" "Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)" "citric acid" 666 "Transient receptor potential cation channel subfamily V member 4" "Ion channel" "Q9EPK8" "Trpv4" "TRPV4_MOUSE" 5.6 "EC50" "IUPHAR" "=" "ACTIVATOR" "Mus musculus" "cladribine" 667 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "cladribine" 667 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.441 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cladribine" 667 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.14 "Ki" "Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand." "CHEMBL" "=" "Rattus norvegicus" "cladribine" 667 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.69 "Ki" "Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "clarithromycin" 668 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.23 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P00807" "blaZ" "BLAC_STAAU" 8.719 "MPC" "WOMBAT-PK" "=" "Staphylococcus aureus" "clavulanic acid" 669 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 10.187 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL777" "INHIBITOR" "Escherichia coli" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 7.82 "IC50" "Inhibitory activity against Escherichia coli TEM-3 Beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q59401" "Q59401_ENTCL" 4 "IC50" "The compound was tested for its inhibitory activity towards Class C beta-lactamase from Enterobacter cloacae 908R at 0.8 umol concentration" "CHEMBL" "=" "Enterobacter cloacae" "clavulanic acid" 669 "Beta-lactamase SHV-1" "Enzyme" "P0AD63" "bla" "BLA1_ECOLX" 7.55 "IC50" "Inhibition of Escherichia coli SHV1" "CHEMBL" "=" "Escherichia coli" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 6.4 "Kd" "Kd for TEM-1 beta-lactamase" "CHEMBL" "=" "Enterobacter cloacae" "clavulanic acid" 669 "Beta-lactamase OXA-1" "Enzyme" "P13661" "bla" "BLO1_ECOLX" 5.49 "IC50" "Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from Escherichia coli OXA1 using ampicillin (40 uM) as a substrate" "CHEMBL" "=" "Escherichia coli" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 6.1 "IC50" "Inhibitory concentration was evaluated as concentration required for 50% inhibition of Pseudomonas aeruginosa 18SH Beta-lactamase" "CHEMBL" "=" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A4KCT8" "BlaGIL-1" "A4KCT8_9ENTR" 8.05 "IC50" "Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B" "CHEMBL" "=" "Citrobacter gillenii" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A1E3K9" "blaSCO-1" "A1E3K9_ECOLX" 7.15 "IC50" "Inhibition of Escherichia coli beta-lactamase SCO1" "CHEMBL" "=" "Escherichia coli" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A8RR46" "bcl1" "A8RR46_BACCS" 7.07 "IC50" "Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "Bacillus clausii" "clavulanic acid" 669 "Carbapenem-hydrolizing beta-lactamase SFC-1" "Enzyme" "Q6JP75" "Q6JP75_SERFO" 4.14 "IC50" "Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE" "CHEMBL" "=" "Serratia fonticola" "clavulanic acid" 669 "Carbepenem-hydrolyzing beta-lactamase KPC" "Enzyme" "Q9F663" "bla" "BLKPC_KLEPN" 4.96 "Ki" "Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay" "CHEMBL" "=" "Klebsiella pneumoniae" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 7.17 "IC50" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "Citrobacter freundii" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q9EXV5" "blaUOE-1" "Q9EXV5_ECOLX" 8.05 "IC50" "Inhibition of Escherichia coli CTX-M-15" "CHEMBL" "=" "Escherichia coli" "clavulanic acid" 669 "Beta-lactamase SHV-1" "Enzyme" "P0AD64" "bla" "BLA1_KLEPN" 6.77 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1" "CHEMBL" "=" "Klebsiella pneumoniae" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q6GWS8" "blaTEM-125" "Q6GWS8_ECOLX" 5.07 "IC50" "Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-158" "CHEMBL" "=" "Escherichia coli" "clavulanic acid" 669 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 7 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "Pseudomonas aeruginosa" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "A0ZX81" "blaSHV-72" "A0ZX81_KLEPN" 5.76 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72" "CHEMBL" "=" "Klebsiella pneumoniae" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q4TVR4" "blaSHV-55" "Q4TVR4_KLEPN" 7.7 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-55" "CHEMBL" "=" "Klebsiella pneumoniae" "clavulanic acid" 669 "Class D beta-lactamase" "Unclassified" "Q50H31" "oxa-63" "Q50H31_BRAPL" 5.7 "IC50" "Inhibition of Brachyspira pilosicoli beta-lactamase OXA-63 expressed in Escherichia coli BL21 (DE3) assessed as reduction in nitrocefin hydrolysis by spectrophotometry relative to oxacillin" "CHEMBL" "=" "Brachyspira pilosicoli" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q2XPY6" "blaCTX-M-53" "Q2XPY6_SALET" 8 "IC50" "Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53" "CHEMBL" "=" "Salmonella enterica subsp. enterica serovar Westhampton" "clavulanic acid" 669 "Beta-lactamase SHV-5" "Enzyme" "P0A3M1" "bla" "BLA5_KLEPN" 4.6 "Ki" "Inhibition of Klebsiella pneumoniae beta-lactamase SHV-105" "CHEMBL" "=" "Klebsiella pneumoniae" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "D2SSQ3" "" "D2SSQ3_PSEAI" 7 "IC50" "Inhibition of Pseudomonas aeruginosa 531 beta-lactamase BEL-2" "CHEMBL" "=" "Pseudomonas aeruginosa" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q3SAW3" "bla(BEL1)" "Q3SAW3_PSEAI" 7 "IC50" "Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1" "CHEMBL" "=" "Pseudomonas aeruginosa" "clavulanic acid" 669 "Beta-lactamase" "Enzyme" "Q670S6" "" "Q670S6_PSELU" 7.44 "IC50" "Inhibition of Pseudomonas luteola LAM Beta-lactamase LUT-1" "CHEMBL" "=" "Pseudomonas luteola" "clebopride" 670 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.98 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "Cavia porcellus" "clebopride" 670 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.92 "Ki" "Displacement of [3H]-spiperone [0.5 nM (Kd=0.2-0.45 nM)] from human recombinant dopamine receptor D2S expressed in CHO cells at 0.5 nM concentration" "CHEMBL" "=" "Tclin" "Homo sapiens" "clebopride" 670 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.22 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "clebopride" 670 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.98 "Ki" "In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus" "CHEMBL" "=" "Tclin" "Homo sapiens" "clebopride" 670 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.49 "Ki" "Ability to displace [3H]spiperone [0.5 nM (Kd=0.1-0.45 nM)] from human recombinant dopamine receptor D4 expressed in CHO cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "clebopride" 670 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.05 "IC50" "Inhibition of AChE" "CHEMBL" "=" "Tclin" "Homo sapiens" "clebopride" 670 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.95 "Ki" "Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue" "CHEMBL" "=" "Rattus norvegicus" "clebopride" 670 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 5.22 "Ki" "Displacement of [3H]SCH-23390 [0.3 nM (Kd=0.35 nM)] from dopamine receptor D1 in bovine striatal membranes" "CHEMBL" "=" "Bos taurus" "clebopride" 670 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 6.98 "Ki" "Binding affinity against 5-hydroxytryptamine 4 receptor using [3H]GR-113808 as radioligand in rat striatum" "CHEMBL" "=" "Rattus norvegicus" "clebopride" 670 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 6.22 "Ki" "In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex" "CHEMBL" "=" "Rattus norvegicus" "clebopride" 670 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 7.05 "Ki" "In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells" "CHEMBL" "=" "Rattus norvegicus" "clemastine" 671 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.115 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.347 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.161 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.854 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.921 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.514 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.036 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.638 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.284 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.444 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clemastine" 671 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.848 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.604 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.585 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1626" "ANTAGONIST" "Tclin" "Homo sapiens" "clemastine" 671 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.439 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.796 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.703 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.084 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.558 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.22 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.854 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.269 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.824 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clemastine" 671 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.222 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clemastine" 671 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.31 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "clemastine" 671 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.387 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "clemastine" 671 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.658 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "clemastine" 671 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.349 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "clemastine" 671 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.28 "IC50" "CHEMBL" "=" "Rattus norvegicus" "clemastine" 671 "Transmembrane protein 97" "Enzyme" "Q5BJF2" "TMEM97" "TMM97_HUMAN" 7.6 "Ki" "Displacement of [3H]-DTG from the Sigma2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "clemizole" 672 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.396 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "clemizole" 672 "Heme oxygenase 2" "Enzyme" "P23711" "Hmox2" "HMOX2_RAT" 5.47 "IC50" "Inhibition of HO-2 in Sprague-Dawley rat brain microsomal fractions assessed as carbon monoxide formation from methemalbumin after 10 mins by gas chromatography analysis" "CHEMBL" "=" "Rattus norvegicus" "clemizole" 672 "Short transient receptor potential channel 4" "Ion channel" "Q9UBN4" "TRPC4" "TRPC4_HUMAN" 5.19 "IC50" "IUPHAR" "=" "BLOCKER" "Tbio" "Homo sapiens" "clemizole" 672 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 5.96 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "clemizole" 672 "Short transient receptor potential channel 3" "Ion channel" "Q13507" "TRPC3" "TRPC3_HUMAN" 5.04 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "clemizole" 672 "Short transient receptor potential channel 6" "Ion channel" "Q9Y210" "TRPC6" "TRPC6_HUMAN" 5.89 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "clenbuterol" 673 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.161 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clenbuterol" 673 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.8 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" "Tclin" "Homo sapiens" "clenbuterol" 673 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.82 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clenbuterol" 673 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.58 "IC50" "CHEMBL" "=" "Rattus norvegicus" "clenbuterol" 673 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 7.44 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "clevidipine" 674 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237132" "BLOCKER" "Tclin" "Homo sapiens" "clevidipine" 674 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237132" "BLOCKER" "Tclin" "Homo sapiens" "clidinium" 676 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL620" "ANTAGONIST" "Tclin" "Homo sapiens" "clidinium" 676 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL620" "ANTAGONIST" "Tclin" "Homo sapiens" "clindamycin" 678 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" "clioquinol" 681 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.32 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "clioquinol" 681 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 4.69 "IC50" "Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAPtide addition measured for 105 mins by fluorescence assay" "CHEMBL" "=" "Clostridium botulinum" "clioquinol" 681 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.63 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "clioquinol" 681 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 4 "IC50" "Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) at 4:1 compound to protein concentration after 48 hrs by thioflavin T fluorescence assay" "CHEMBL" "=" "Homo sapiens" "clobazam" 682 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70418" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "clodronic acid" 690 "ADP/ATP translocase 2" "Enzyme" "P05141" "SLC25A5" "ADT2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "clodronic acid" 690 "ADP/ATP translocase 1" "Transporter" "P12235" "SLC25A4" "ADT1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "clodronic acid" 690 "ADP/ATP translocase 3" "Enzyme" "P12236" "SLC25A6" "ADT3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "clodronic acid" 690 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "clodronic acid" 690 "Solute carrier family 17 member 9" "Transporter" "Q9BYT1" "SLC17A9" "S17A9_HUMAN" 7.81 "IC50" "Using a quantitative transport assay system involving proteoliposomes containing only expressed and purified protein." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "clodronic acid" 690 "Type IV secretion-like conjugative transfer relaxase protein TraI" "Unclassified" "B1LRJ1" "traI" "B1LRJ1_ECOSM" 8.52 "Ki" "Inhibition of Escherichia coli F plasmid TraI relaxase Y16F mutant assessed as oriT ssDNA cleavage by competitive inhibition assay" "CHEMBL" "=" "Escherichia coli" "clofarabine" 691 "DNA polymerase alpha catalytic subunit" "Enzyme" "P09884" "POLA1" "DPOLA_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1750" "INHIBITOR" "Tclin" "Homo sapiens" "clofarabine" 691 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" 8.3 "IC50" "Inhibition of K562 cell growth" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1750" "INHIBITOR" "Tclin" "Homo sapiens" "clofarabine" 691 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" 8.3 "IC50" "Inhibition of growth of K562 cells" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1750" "INHIBITOR" "Tclin" "Homo sapiens" "clofarabine" 691 "Ribose-phosphate pyrophosphokinase 1" "Kinase" "P60891" "PRPS1" "PRPS1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "clofarabine" 691 "Uridine-cytidine kinase 1" "Kinase" "Q9HA47" "UCK1" "UCK1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "clofarabine" 691 "Uridine-cytidine kinase 2" "Kinase" "Q9BZX2" "UCK2" "UCK2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "clofarabine" 691 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 5.51 "IC50" "Inhibition of recombinant human PDE2A catalytic domain (580 to 919 residues) expressed in Escherichia coli BL21 (Codonplus) using [3H]cGMP as substrate after 15 mins by liquid scintillation counting method" "CHEMBL" "=" "Tclin" "Homo sapiens" "clofazimine" 692 "Uncharacterized oxidoreductase CzcO-like" "Enzyme" "Q5L2G3" "CZCO_GEOKA" "WOMBAT-PK" "Geobacillus kaustophilus (strain HTA426)" "clofazimine" 692 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.22 "IC50" "Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100" "CHEMBL" "=" "Trypanosoma cruzi" "clofibrate" 694 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.25 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL565" "AGONIST" "Tclin" "Homo sapiens" "clofibrate" 694 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.22 "Kd" "Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 5 deg C by fluorimetric assay" "CHEMBL" "=" "Rattus norvegicus" "clofibric acid" 695 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "clofibric acid" 695 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.4 "EC50" "Effective concentration against human PPARalpha expressed in HepG2 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "clofibric acid" 695 "Peroxisome proliferator-activated receptor alpha" "Transcription factor" "P23204" "Ppara" "PPARA_MOUSE" 7.38 "EC50" "Effective concentration against murine PPARalpha in transactivation assay" "CHEMBL" "=" "Mus musculus" "clometacin" 698 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 6.7 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "Mus musculus" "clomifene" 700 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.461 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.455 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.1 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.745 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clomifene" 700 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 9 "Ki" "Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand" "CHEMBL" "=" "Tchem" "Homo sapiens" "clomifene" 700 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.47 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.068 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.025 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.062 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.177 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.71 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "clomifene" 700 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.142 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.349 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.187 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.407 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.889 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.358 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.638 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.896 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.371 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.668 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.206 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.519 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clomifene" 700 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.886 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2355051" "MODULATOR" "Tclin" "Homo sapiens" "clomifene" 700 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.979 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.6 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.778 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomifene" 700 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.822 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clomifene" 700 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.87 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "clomifene" 700 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.597 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "clomifene" 700 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.523 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "clomifene" 700 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 6.8 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "clomipramine" 701 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.66 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.95 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.28 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.243 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.703 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200710" "INHIBITOR" "Tclin" "Homo sapiens" "clomipramine" 701 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.42 "Kd" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2398" "INHIBITOR" "Tclin" "Homo sapiens" "clomipramine" 701 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.45 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.818 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.19 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.95 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "clomipramine" 701 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.495 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.337 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.412 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.007 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.696 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.658 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.066 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.444 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.886 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.42 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.319 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "clomipramine" 701 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.688 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.56 "IC50" "Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.658 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.398 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clomipramine" 701 "Glutathione S-transferase P" "Enzyme" "P09211" "GSTP1" "GSTP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "clomipramine" 701 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.71 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "clomipramine" 701 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 5.19 "Ki" "Compound was evaluated for the competitive inhibition of trypanothione reduction by recombinant Trypanothione reductase from Trypanosoma cruzi" "CHEMBL" "=" "Trypanosoma cruzi" "clomipramine" 701 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.137 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "clomipramine" 701 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.937 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "clomipramine" 701 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.4 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "clomipramine" 701 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.25 "Ki" "Binding affinity towards Dopamine receptor D2" "CHEMBL" "=" "Rattus norvegicus" "clomipramine" 701 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6.05 "IC50" "Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "Mus musculus" "clomipramine" 701 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 7.15 "IC50" "Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "Mus musculus" "clomipramine" 701 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 9.7 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "Rattus norvegicus" "clomipramine" 701 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b" "5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT" 8.3 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "Rattus norvegicus" "clomipramine" 701 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.3 "Ki" "Binding affinity towards serotonin S1 receptor" "CHEMBL" "=" "Rattus norvegicus" "clomipramine" 701 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.29 "Ki" "Binding affinity towards alpha-2 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "clomipramine" 701 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.08 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Rattus norvegicus" "clomipramine" 701 "Trypanothione reductase" "Enzyme" "P39051" "TPR" "TYTR_TRYBB" 5.47 "IC50" "CHEMBL" "=" "Trypanosoma brucei brucei" "clomipramine" 701 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "clonazepam" 703 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 8.071 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL452" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "clonazepam" 703 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 8.77 "IC50" "Displacement of [3H]diazepam from rat brain GABA-A benzodiazepine receptor" "CHEMBL" "=" "Rattus norvegicus" "clonazepam" 703 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRB1|GABRA2|GABRA3|GABRA4|GABRG2" "GBRA1_BOVIN|GBRB1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRG2_BOVIN" 9.07 "Ki" "In vitro inhibition of [3H]-Ro- 15-1788 binding to GABA-A Benzodiazepine receptor of bovine brain membranes" "CHEMBL" "=" "Bos taurus" "clonazepam" 703 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRP|GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRE|GABRA6|GABRG1|GABRG3|GABRQ" "GBRP_HUMAN|GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRE_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN|GBRT_HUMAN" 9.07 "Ki" "Displacement of [3H]flumazenil from bovine benzodiazepine receptor GABA-A channel of brain membranes" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "clonidine" 704 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.42 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2A adrenergic receptor from cloned human C-10 receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "AGONIST" "Tclin" "Homo sapiens" "clonidine" 704 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.49 "Ki" "Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "clonidine" 704 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.5 "Ki" "PDSP" "Tclin" "Homo sapiens" "clonidine" 704 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.5 "Ki" "Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "AGONIST" "Tclin" "Homo sapiens" "clonidine" 704 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL134" "AGONIST" "Tclin" "Homo sapiens" "clonidine" 704 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.22 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "clonidine" 704 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clonidine" 704 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.05 "Ki" "Displacement of [3H]-clonidine from bovine imidazoline receptor I-1" "CHEMBL" "=" "Tclin" "Homo sapiens" "clonidine" 704 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.65 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "clonidine" 704 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.99 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "clonidine" 704 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.59 "Kd" "The compound was tested for alpha-adrenergic activity against Alpha-1 adrenergic receptor from rat aorta." "CHEMBL" "=" "Rattus norvegicus" "clonidine" 704 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.08 "Ki" "Compound was tested in vitro for binding affinity against Alpha-2B adrenergic receptor from cloned rat RNG receptor transfected into Chinese hamster ovary (CHO) cells" "CHEMBL" "=" "Rattus norvegicus" "clonidine" 704 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 6.9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "clonidine" 704 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.27 "IC50" "CHEMBL" "=" "Rattus norvegicus" "clonidine" 704 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 9.41 "Ki" "Binding affinity towards alpha-2D adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "clonidine" 704 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.05 "EC50" "Agonist activity at bovine recombinant alpha-1A receptor expressed in HEK293 cells coexpressing Gag-pol assessed as increase in intracellular calcium measured after 60 mins by fluo-4 dye based FLIPR assay" "CHEMBL" "=" "Bos taurus" "clonidine" 704 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 8.7 "IC50" "Concentration necessary to achieve half maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor at 1 uM" "CHEMBL" "=" "Bos taurus" "clonidine" 704 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 4.4 "Kd" "The compound was tested for beta-adrenergic activity against Beta-1 adrenergic receptor from guinea pig right atria" "CHEMBL" "=" "Cavia porcellus" "clonidine" 704 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 6.95 "Ki" "Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 cells" "CHEMBL" "=" "Rattus norvegicus" "clonidine" 704 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O88704" "Hcn1" "HCN1_MOUSE" 4.4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "clonidine" 704 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" "Ion channel" "O88703" "Hcn2" "HCN2_MOUSE" 5.1 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "clonidine" 704 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.796 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "clonidine" 704 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.48 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clonidine" 704 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.82 "Ki" "In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "clonidine" 704 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "O70507" "Hcn4" "HCN4_MOUSE" 5 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "clonidine" 704 "Alpha-1B adrenergic receptor" "GPCR" "G3HDX1" "" "G3HDX1_CRIGR" 7.08 "EC50" "Agonist activity at hamster recombinant alpha-1B receptor expressed in HEK293 cells coexpressing Gag-pol assessed as increase in intracellular calcium measured after 60 mins by fluo-4 dye based FLIPR assay" "CHEMBL" "=" "Cricetulus griseus" "clonixin" 705 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 4.89 "IC50" "Inhibition of human recombinant DHODH" "CHEMBL" "=" "Tclin" "Homo sapiens" "cloperastine" 707 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.83 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clopidogrel" 708 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.524 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clopidogrel" 708 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1771" "ANTAGONIST" "Tclin" "Homo sapiens" "clopidogrel" 708 "Cytochrome P450 2B6" "Enzyme" "P20813" "CYP2B6" "CP2B6_HUMAN" 6.3 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "clorazepate" 711 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 7.47 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "clorazepate" 711 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "clorazepate" 711 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "clorazepate" 711 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213252" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "clorprenaline" 714 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.825 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clorprenaline" 714 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.863 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotiapine" 717 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.31 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotiapine" 717 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.36 "Ki" "In vitro binding affinity against Dopamine D2 receptor in rat striatal tissue." "CHEMBL" "=" "Rattus norvegicus" "clotiapine" 717 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.85 "Ki" "In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue" "CHEMBL" "=" "Rattus norvegicus" "clotiapine" 717 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 6.87 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "Rattus norvegicus" "clotiapine" 717 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.23 "Ki" "Binding affinity against serotonin 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Rattus norvegicus" "clotrimazole" 719 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.186 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.379 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" 6.16 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "clotrimazole" 719 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.136 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.346 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.391 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.147 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.351 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.52 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.699 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.174 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.514 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.104 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.995 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.497 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.132 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.12 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.235 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.429 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.046 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.466 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.294 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.781 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.287 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.677 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.785 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.829 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.267 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.353 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.106 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.571 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 7.15 "IC50" "Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "clotrimazole" 719 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.156 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.521 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.132 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.598 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL104" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "clotrimazole" 719 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.756 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.7 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "clotrimazole" 719 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.712 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.796 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 4.645 "Ki" "DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 8.74 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 4.78 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.159 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 5.6 "IC50" "Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.058 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 7.089 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Potassium voltage-gated channel subfamily A member 3" "Ion channel" "P22001" "KCNA3" "KCNA3_HUMAN" 5.22 "IC50" "Inhibition of cloned Kv1.3 channel expressed in mammalian cells by whole cell patch clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.796 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.497 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.178 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.854 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.49 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 6.89 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.92 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.471 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.112 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "clotrimazole" 719 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.906 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "clotrimazole" 719 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 5.8 "IC50" "Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment mediated luciferase reporter gene assay in absence of CCL22" "CHEMBL" "=" "Tclin" "Homo sapiens" "clotrimazole" 719 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 4.78 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "DRUG MATRIX" "=" "Cavia porcellus" "clotrimazole" 719 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.942 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "clotrimazole" 719 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.58 "IC50" "CHEMBL" "=" "Rattus norvegicus" "clotrimazole" 719 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.75 "IC50" "CHEMBL" "=" "Rattus norvegicus" "clotrimazole" 719 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 6.7 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP51" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "clotrimazole" 719 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 5.7 "IC50" "Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 5.32 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme A expressed in Escherichia coli" "CHEMBL" "=" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" "clotrimazole" 719 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 6.99 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli assessed as tight binding affinity constant" "CHEMBL" "=" "Neosartorya fumigata" "clotrimazole" 719 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.23 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "Mus musculus" "clotrimazole" 719 "Mycocyclosin synthase" "Enzyme" "P9WPP7" "cyp121" "CP121_MYCTU" 7.14 "Kd" "Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "clotrimazole" 719 "Transitional endoplasmic reticulum ATPase" "Enzyme" "P55072" "VCP" "TERA_HUMAN" 5.85 "IC50" "Inhibition of p97 in human HeLa cells assessed as reduction in p97-dependent UbG76V-GFP degradation incubated for 1 hr by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.46 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "Tbio" "Homo sapiens" "clotrimazole" 719 "Putative cytochrome P450 130" "Enzyme" "P9WPN5" "cyp130" "CP130_MYCTU" 4.88 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP130" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "clotrimazole" 719 "Alpha-chymotrypsin" "Enzyme" "P00766" "CTRA_BOVIN" 4.07 "IC50" "Compound was tested for the inhibition of Chymotrypsinogen" "CHEMBL" "=" "Bos taurus" "clotrimazole" 719 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.29 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "Mus musculus" "clotrimazole" 719 "Transitional endoplasmic reticulum ATPase" "Enzyme" "P55072" "VCP" "TERA_HUMAN" 5.85 "IC50" "Inhibition of p97 in human HeLa cells assessed as reduction in p97-dependent UbG76V-GFP degradation incubated for 1 hr by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "clotrimazole" 719 "7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase" "Enzyme" "Q9UNU6" "CYP8B1" "CP8B1_HUMAN" 6.1 "IC50" "Inhibition of CYP8B1 in human liver microsomes using D7-7alpha-hydroxy-4-cholesten-3-one as substrate preincubated for 20 mins followed by substrate addition in presence of NADPH by UPLC-ESI-MS/MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "cloxacillin" 720 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "cloxacillin" 720 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.89 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" "Escherichia coli" "cloxacillin" 720 "Beta-lactamase" "Enzyme" "A4ZYU9" "blaACC-4" "A4ZYU9_ECOLX" 7.59 "IC50" "Inhibition of Escherichia coli beta-lactamase ACC4" "CHEMBL" "=" "Escherichia coli" "cloxacillin" 720 "Efflux transporter; SugE" "Transporter" "Q3S5C3" "sugE" "Q3S5C3_SALNE" 8.4 "IC50" "Inhibition of Salmonella enterica serotype Newport AM17274 cephalosporinase CMY-31 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "Salmonella newport" "cloxacillin" 720 "Beta-lactamase" "Enzyme" "Q48435" "bla LAT-2" "Q48435_KLEPN" 8.4 "IC50" "Inhibition of Klebsiella pneumoniae HP205 cephalosporinase CMY-36 by UV spectrophotometer in presence of 100 uM of cephalothin" "CHEMBL" "=" "Klebsiella pneumoniae" "cloxacillin" 720 "Beta-lactamase TEM" "Enzyme" "P62594" "bla" "BLAT_SALTI" 4.89 "Ki" "WOMBAT-PK" "=" "Salmonella typhi" "cloxacillin" 720 "Penicillin-binding protein" "Enzyme" "P72355|Q53707|Q53725|Q53729|Q9XDB3" "pbp4|mecA|pbpA|PBP2|pbpF" "P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU" "Mechanism of Action; CHEMBL2363021; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL891" "INHIBITOR" "Staphylococcus aureus" "cloxazolam" 721 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 5.82 "Ki" "Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90) (" "CHEMBL" "=" "Tchem" "Homo sapiens" "clozapine" 722 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "clozapine" 722 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.783 "Ki" "PDSP" "Tclin" "Homo sapiens" "clozapine" 722 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.89 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.86 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "ANTAGONIST" "Tclin" "Homo sapiens" "clozapine" 722 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.154 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.41 "Ki" "Binding affinity to human SERT" "CHEMBL" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.83 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.2 "Ki" "Binding affinity to 5-HT1A receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL42" "ANTAGONIST" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.26 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.05 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.95 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.78 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.59 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "clozapine" 722 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.594 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "clozapine" 722 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.815 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.23 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "clozapine" 722 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.181 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.591 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.222 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.792 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.356 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "clozapine" 722 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.54 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.81 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "clozapine" 722 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.52 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "clozapine" 722 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.28 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.98 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "clozapine" 722 "UDP-glucuronosyltransferase 1-4" "Enzyme" "P22310" "UGT1A4" "UD14_HUMAN" 4.208 "app Km" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6 "Ki" "Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand" "CHEMBL" "=" "Tchem" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "clozapine" 722 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "clozapine" 722 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.445 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "clozapine" 722 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.6 "IC50" "Affinity towards 5-hydroxytryptamine 1B receptor in membranes from rat frontal cortex using [3H]5-HT" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.66 "Ki" "Binding affinity measured at the Alpha-1A adrenergic receptor by the inhibition of [3H]prazosin binding to rat cortex using unlabeled WB-4101 for nonspecific binding." "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.42 "Ki" "Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Cavia porcellus" "clozapine" 722 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.34 "Ki" "Compound was tested for the binding affinity against rat heart Muscarinic acetylcholine receptor M2 by Radio ligand [3H]quinuclidinyl binding assay." "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.68 "Ki" "Compound was tested for the binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by radioligand [3H]pirenzepine binding assay." "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.47 "Ki" "In vitro binding affinity for dopamine receptor D2 of rat nucleus accumbens labeled with [3H]spiperone" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.41 "Ki" "The compound was tested for its binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 radioligand in rat hippocampus" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.22 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.16 "Ki" "Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.2 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "clozapine" 722 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 6.38 "Ki" "Binding affinity against bovine dopamine receptor D1 using radioligand [3H]-SCH- 23390" "CHEMBL" "=" "Bos taurus" "clozapine" 722 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 4.59 "Ki" "Binding affinity measured at the Beta-1 adrenergic receptor by the inhibition of [3H]DHA binding to rat cortex using unlabeled isoprenalin for nonspecific binding." "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.37 "Ki" "Affinity was evaluated as inhibition constant for dopamine receptor D1 using [3H]-SCH- 23390 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 6.16 "Ki" "Binding affinity was evaluated for the displacement of [3H]spiperone against bovine Dopamine receptor D2" "CHEMBL" "=" "Bos taurus" "clozapine" 722 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 7.72 "Ki" "Binding affinity measured at the Alpha-2 adrenergic receptor by the inhibition of [3H]clonidine binding to rat cortex using unlabeled NAbitartrate for nonspecific binding." "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 6.54 "IC50" "Inhibition of mouse Dopamine receptor D2" "CHEMBL" "=" "Mus musculus" "clozapine" 722 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.1 "Ki" "Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 5.7 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice." "CHEMBL" "=" "Mus musculus" "clozapine" 722 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.8 "IC50" "Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]prazosin" "CHEMBL" "=" "Bos taurus" "clozapine" 722 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 8.54 "Ki" "In vitro binding affinity towards Histamine H1 receptor of rat frontal cortex homogenate by using radioligand [3H]pyrilamine" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 6.79 "Ki" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 8.05 "Ki" "Binding affinity of [3H]-spiperone towards cloned mammalian Dopamine receptor D4 expressed in cultured cells or from rat whole brain" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(2) dopamine receptor" "GPCR" "P52702" "DRD2" "DRD2_CHLAE" 6.6 "Ki" "Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2" "CHEMBL" "=" "Chlorocebus aethiops" "clozapine" 722 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 8.52 "IC50" "Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]ketanserin" "CHEMBL" "=" "Bos taurus" "clozapine" 722 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 5.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "clozapine" 722 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 7.49 "Ki" "Compound was tested for the Binding affinity against N1e-115 neuroblastoma 5-hydroxytryptamine 3 receptor by Radio ligand [3H]GR-65630 binding assay." "CHEMBL" "=" "Mus musculus" "clozapine" 722 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "clozapine" 722 "D(1A) dopamine receptor" "GPCR" "P50130" "DRD1" "DRD1_PIG" 6.38 "Ki" "Displacement of [3H]SCH 23990 from dopamine receptor D1 in porcine striatal membrane" "CHEMBL" "=" "Sus scrofa" "clozapine" 722 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.41 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "D(3) dopamine receptor" "GPCR" "P52703" "DRD3" "DRD3_CHLAE" 6.33 "Ki" "Displacement of [3H]-YM 09151 from african monkey Dopamine receptor D3" "CHEMBL" "=" "Chlorocebus aethiops" "clozapine" 722 "Histamine H4 receptor" "GPCR" "Q91ZY2" "Hrh4" "HRH4_MOUSE" 5.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "clozapine" 722 "Histamine H4 receptor" "GPCR" "Q91ZY1" "Hrh4" "HRH4_RAT" 5.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "clozapine" 722 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 7.28 "Ki" "Affinity was evaluated as inhibition constant for serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 7.6 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.68 "Ki" "The binding affinity was measured on serotonin 5-hydroxytryptamine 1 receptor in rat brain tissue" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.24 "Ki" "Binding affinity towards alpha-2 adrenergic receptors in rat brain synaptosomal preparations" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD2|DRD1" "DRD2_BOVIN|DRD1_BOVIN" 6.74 "IC50" "Inhibition of [3H]haloperidol binding to Dopamine receptor in calf caudate nuclei." "CHEMBL" "=" "Bos taurus" "clozapine" 722 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 6.49 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.74 "Ki" "Binding affinity determined in radioreceptor binding assay by using [3H]ketanserin radioligand against 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy3|Adcy2|Adcy4|Adcy8|Adcy6|Adcy5" "D4A3N4_RAT|ADCY3_RAT|ADCY2_RAT|ADCY4_RAT|ADCY8_RAT|ADCY6_RAT|ADCY5_RAT|Q8CFM9_RAT" 6.85 "IC50" "Inhibition of dopamine-sensitive rat brain adenylyl cyclase activity assessed as cAMP level" "CHEMBL" "=" "Rattus norvegicus" "clozapine" 722 "Serotonin 2 (5-HT2) receptor" "GPCR" "P34968|P35363|Q02152" "Htr2c|Htr2a|Htr2b" "5HT2C_MOUSE|5HT2A_MOUSE|5HT2B_MOUSE" 7.55 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 2 receptor from mice." "CHEMBL" "=" "Mus musculus" "clozapine" 722 "5-hydroxytryptamine receptor 5A" "GPCR" "P30966" "Htr5a" "5HT5A_MOUSE" 5.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "clozapine" 722 "Histone H1.0" "Nuclear other" "P07305" "H1F0" "H10_HUMAN" 9 "Ki" "Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors." "CHEMBL" "=" "Homo sapiens" "clozapine" 722 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 4.21 "Kd" "Binding affinity to bovine brain CaM by FTPFACE analysis" "CHEMBL" "=" "Bos taurus" "clozapine" 722 "Calmodulin-1" "Cytosolic other" "P0DP23" "CALM1" "CALM1_HUMAN" 4.7 "IC50" "Binding affinity to CaM (unknown origin) by equilibrium dialysis method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "cocaine" 723 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.05 "Ki" "Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.14 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.92 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.67 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.47 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.5 "Ki" "Binding affinity towards dopamine transporter using [3H]WIN-35428 as radioligand from rat caudate putamen tissue (high affinity)" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2286" "INHIBITOR" "Tclin" "Homo sapiens" "cocaine" 723 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.71 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 5.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Sodium channel protein type 11 subunit alpha" "Ion channel" "Q9UI33" "SCN11A" "SCNBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "cocaine" 723 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cocaine" 723 "Cocaine- and amphetamine-regulated transcript protein" "Transcription factor" "Q16568" "CARTPT" "CART_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "cocaine" 723 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 4.21 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 of rat brain membrane" "CHEMBL" "=" "Rattus norvegicus" "cocaine" 723 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.35 "Ki" "Binding affinity towards serotonin transporter 5-HTT was determined using [3H]paroxetine radioligand." "CHEMBL" "=" "Rattus norvegicus" "cocaine" 723 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.49 "Ki" "Displacement of [3H]WIN-35428 from dopamine transporter (DAT) in Rat Caudate Putamen" "CHEMBL" "=" "Rattus norvegicus" "cocaine" 723 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.97 "Ki" "Inhibition of high affinity uptake of [3H]NE by norepinephrine transporter in nerve endings obtained from rat brain." "CHEMBL" "=" "Rattus norvegicus" "cocaine" 723 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 6.7 "IC50" "Inhibition of mouse DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptake" "CHEMBL" "=" "Mus musculus" "cocaine" 723 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.5 "Ki" "Displacement of [3H]nisoxetine from NET in rat brain" "CHEMBL" "=" "Rattus norvegicus" "cocaine" 723 "Serotonin 3 receptor (5HT3)" "Ion channel" "O95264|P46098" "HTR3B|HTR3A" "5HT3B_HUMAN|5HT3A_HUMAN" 4.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "cocaine" 723 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.31 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cocaine" 723 "Dopamine transporter" "Transporter" "P27922" "SLC6A3" "SC6A3_BOVIN" 7.19 "IC50" "In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue" "CHEMBL" "=" "Bos taurus" "cocaine" 723 "Dopamine transporter" "Transporter" "Q9GJT6" "SLC6A3" "SC6A3_MACFA" 7.02 "IC50" "Inhibition of [3H]WIN-35428 binding to dopamine transporter (DAT) of cynomolgus monkey caudate-putamen" "CHEMBL" "=" "Macaca fascicularis" "codeine" 725 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.14 "Ki" "Displacement of [3H]diprenorphine from recombinant mu opioid receptor expressed in C6 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL485" "AGONIST" "Tclin" "Homo sapiens" "codeine" 725 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.59 "Ki" "Displacement of [3H]diprenorphine from recombinant kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "codeine" 725 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 4.28 "Ki" "Displacement of [3H]diprenorphine from recombinant delta opioid receptor expressed in C6 cells" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "codeine" 725 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 8 "IC50" "50% Inhibition of stereospecific [3H]-naltrexone (10e-9 M) binding towards opiate receptor in rat brain homogenate" "CHEMBL" "=" "Rattus norvegicus" "colchicine" 726 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.19 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "colchicine" 726 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.801 "Kd" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "colchicine" 726 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "colchicine" 726 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 3.49 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "colchicine" 726 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 4.194 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "colchicine" 726 "Tubulin beta chain" "Structural" "P07437" "TUBB" "TBB5_HUMAN" 5.24 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "colchicine" 726 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 5.37 "IC50" "Inhibition of human PIM1 measured after 5 mins by ELISA relative to control" "CHEMBL" "=" "Tchem" "Homo sapiens" "colchicine" 726 "Tubulin alpha-1A chain" "Structural" "P02550" "TUBA1A" "TBA1A_PIG" 5.6 "Ki" "Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay" "CHEMBL" "=" "Sus scrofa" "colchicine" 726 "Tubulin beta-2B chain" "Structural" "Q6B856" "TUBB2B" "TBB2B_BOVIN" 6.11 "Ki" "Binding constant at colchicine site of bovine brain tubulin" "CHEMBL" "=" "Bos taurus" "colchicine" 726 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 4.7 "Kd" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "colchicine" 726 "Tubulin polymerization-promoting protein" "Unclassified" "Q27957" "TPPP" "TPPP_BOVIN" 6.12 "EC50" "Inhibition of Bos taurus (bovine) brain tubulin polymerization" "CHEMBL" "=" "Bos taurus" "colchicine" 726 "Tubulin beta-4B chain" "Structural" "P68371" "TUBB4B" "TBB4B_HUMAN" 5.24 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "colchicine" 726 "Tubulin" "Structural" "Q6B856|Q862F3|Q862L2" "TUBB2B" "TBB2B_BOVIN|Q862F3_BOVIN|Q862L2_BOVIN" 6.1 "IC50" "Inhibition of bovine brain tubulin polymerization (ITP)." "CHEMBL" "=" "Bos taurus" "colchicine" 726 "Tubulin" "Structural" "P02550|P02554" "TUBA1A" "TBA1A_PIG|TBB_PIG" 5.24 "Ki" "Binding affinity against tubulin usingf [3H]-colchicine as radioligand" "CHEMBL" "=" "Sus scrofa" "colforsin daropate" 729 "Adenylate cyclase type 1" "Enzyme" "Q08828" "ADCY1" "ADCY1_HUMAN" 7.39 "IC50" "Inhibition of [125 I]6-IHPP-forskolin binding to adenylate cyclase 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "colforsin daropate" 729 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.22 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "colforsin daropate" 729 "Solute carrier family 2, facilitated glucose transporter member 1" "Transporter" "P11166" "SLC2A1" "GTR1_HUMAN" 5.3 "Kd" "Inhibition of [125I]7-IHPP-Fsk binding to glucose transporter of human erythrocyte membrane" "CHEMBL" "=" "Tchem" "Homo sapiens" "colforsin daropate" 729 "Adenylate cyclase type 1" "Enzyme" "P19754" "ADCY1" "ADCY1_BOVIN" 7.54 "Kd" "CHEMBL" "=" "Bos taurus" "conivaptan" 732 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 9.37 "Ki" "Displacement [3H]Arg human recombinant Vasopressin V1a receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1755" "ANTAGONIST" "Tclin" "Homo sapiens" "conivaptan" 732 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 9.44 "Ki" "Displacement [3H]Arg human recombinant Vasopressin V2 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1755" "ANTAGONIST" "Tclin" "Homo sapiens" "conivaptan" 732 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 7.35 "Ki" "Displacement of [3H]OT from OTR in Wistar rat uterus membranes incubated for 60 mins by microplate scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "conivaptan" 732 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 8.52 "Ki" "Displacement of [3H]AVP from V2 receptor in Wistar rat kidney membranes incubated for 60 mins by microplate scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "conivaptan" 732 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 9.32 "Ki" "Displacement of [3H]AVP from V1A receptor in Wistar rat liver membranes incubated for 60 mins by microplate scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "cortisone acetate" 734 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.02 "Kd" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00973" "AGONIST" "Tclin" "Homo sapiens" "cortisone acetate" 734 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "cortisone acetate" 734 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.89 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "cortisone acetate" 734 "Potassium voltage-gated channel subfamily A member 1" "Ion channel" "Q09470" "KCNA1" "KCNA1_HUMAN" 4.48 "EC50" "Activation of KV1.1 expressed in Xenopus laevis oocytes coexpressing Kvbeta1 W155A mutant assessed as increase in steady state current normalized to initial inactivating current by electrophysiology method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cortisone acetate" 734 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.43 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "cortisone acetate" 734 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.67 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "cortisone acetate" 734 "Protein farnesyltransferase" "Enzyme" "P49354|P49356" "FNTA|FNTB" "FNTA_HUMAN|FNTB_HUMAN" 4.85 "IC50" "inhibitory activity against human Farnesyltransferase" "CHEMBL" "=" "Homo sapiens" "cortivazol" 736 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D03594" "AGONIST" "Tclin" "Homo sapiens" "cotinine" 737 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.04 "Ki" "Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.51 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.17 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.04 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.05 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.03 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.28 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.48 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.25 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.7 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.32 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "coumarin" 738 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.04 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "coumarin" 738 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.92 "IC50" "Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%" "CHEMBL" "=" "Rattus norvegicus" "coumarin" 738 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.39 "IC50" "Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10%" "CHEMBL" "=" "Rattus norvegicus" "coumarin" 738 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.4 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "cromoglicic acid" 741 "G protein-coupled receptor GPR35" "GPCR" "Q33BM1" "Gpr35" "Q33BM1_RAT" 6.01 "EC50" "Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay" "CHEMBL" "=" "Rattus norvegicus" "cromoglicic acid" 741 "G-protein coupled receptor 35" "GPCR" "Q9ES90" "Gpr35" "GPR35_MOUSE" 5.32 "EC50" "Agonist activity at mouse GPR35 expressed in CHO cells assessed as induction of beta-arrestin recruitment after 90 mins by beta-galactosidase reporter gene assay" "CHEMBL" "=" "Mus musculus" "cromoglicic acid" 741 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.63 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "cromoglicic acid" 741 "Protein S100-P" "Cytosolic other" "P25815" "S100P" "S100P_HUMAN" "cromolyn blocked the coimmunoprecipitation of S100P and RAGE" "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17179482" "Tbio" "Homo sapiens" "cyamemazine" 746 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.42 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.237 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cyamemazine" 746 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cyamemazine" 746 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cyamemazine" 746 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cyamemazine" 746 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.602 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.886 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.377 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.495 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.921 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.456 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyamemazine" 746 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.531 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.235 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.194 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.623 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.272 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.993 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.353 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL648" "ANTAGONIST" "Tclin" "Homo sapiens" "cyclizine" 749 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.788 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.385 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.799 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.924 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.342 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.218 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.206 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.224 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyclizine" 749 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "cyclizine" 749 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.86 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "cyclobenzaprine" 751 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.728 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cyclobenzaprine" 751 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.967 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.444 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.541 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL669" "ANTAGONIST" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.812 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.244 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.839 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cyclobenzaprine" 751 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.821 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.829 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.95 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.222 "Ki" "PDSP" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.222 "Ki" "PDSP" "Tclin" "Homo sapiens" "cyclobenzaprine" 751 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.509 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "cyclobenzaprine" 751 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.52 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "cyclofenil" 753 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 7.58 "EC50" "Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cyclofenil" 753 "Estrogen receptor" "Nuclear other" "P03372" "ESR1" "ESR1_HUMAN" 7.58 "EC50" "Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 7.25 "Ki" "Binding affinity to human recombinant DHFR expressed in Escherichia coli BL21(DE3) by competitive binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 7.63 "Ki" "Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase" "CHEMBL" "=" "Pneumocystis carinii" "cycloguanil" 754 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P13922" "DRTS_PLAFK" 8.96 "Ki" "Inhibition constant against Plasmodium falciparum dihydrofolate reductase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL747" "INHIBITOR" "Plasmodium falciparum" "cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 6.96 "IC50" "Inhibitory activity against dihydrofolate reductase in rat liver." "CHEMBL" "=" "Rattus norvegicus" "cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 4.76 "Ki" "Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)" "CHEMBL" "=" "Lactobacillus casei" "cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "P00378" "DHFR" "DYR_CHICK" 6.95 "Ki" "Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)" "CHEMBL" "=" "Gallus gallus" "cycloguanil" 754 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 5.99 "Ki" "Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis" "CHEMBL" "=" "Escherichia coli" "cyclopentolate" 757 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action; CHEMBL245; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200473" "ANTAGONIST" "Tclin" "Homo sapiens" "cyclophosphamide" 758 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.31 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" 5.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2D" "Ion channel" "O15399" "GRIN2D" "NMDE4_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Alanine racemase" "Enzyme" "P9WQA8" "alr" "ALR_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "Q05586" "GRIN1" "NMDZ1_HUMAN" 5.26 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 3B" "Ion channel" "O60391" "GRIN3B" "NMD3B_HUMAN" 5.64 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cycloserine" 759 "D-alanine--D-alanine ligase" "Enzyme" "P9WP31" "ddl" "DDL_MYCTU" "Mechanism of Action; CHEMBL2030; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "cycloserine" 759 "Alanine racemase" "Enzyme" "P9WQA9" "alr" "ALR_MYCTU" "Mechanism of Action; CHEMBL2031; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL771" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 5.13 "IC50" "In vitro inhibitory activity to inhibit [3H]glycine binding to NMDA receptor" "CHEMBL" "=" "Rattus norvegicus" "cycloserine" 759 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q00961" "Grin2c" "NMDE3_RAT" 4.74 "EC50" "Compound was evaluated for in vitro inhibition of [3H]TCP at NMDA receptor." "CHEMBL" "=" "Rattus norvegicus" "cycloserine" 759 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3b|Grin3a" "NMDZ1_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMD3B_RAT|NMD3A_RAT" 5.64 "IC50" "In vitro inhibition of [3H]glycine at NMDA receptor" "CHEMBL" "=" "Rattus norvegicus" "ciclosporin" 760 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.31 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ciclosporin" 760 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.301 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 4.87 "IC50" "Inhibition of human MRP2 expressed in dog MDCK2 cells" "CHEMBL" "=" "Tbio" "Homo sapiens" "ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 7.796 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ciclosporin" 760 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 6.699 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase A" "Enzyme" "P62937" "PPIA" "PPIA_HUMAN" 8.046 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL160" "MODULATOR" "Tclin" "Homo sapiens" "ciclosporin" 760 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.57 "IC50" "Inhibition of MRP1 in human 2008 cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measured up to 90 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.2 "IC50" "Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 6.3 "EC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "ciclosporin" 760 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 6.3 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" 7.29 "Ki" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase FKBP4" "Enzyme" "Q02790" "FKBP4" "FKBP4_HUMAN" 7.8 "IC50" "50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.86 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase B" "Enzyme" "P23284" "PPIB" "PPIB_HUMAN" 8.01 "Kd" "Binding affinity to human Cyclophilin B" "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 8.4 "Kd" "Binding affinity to protein phosphatase, calcineurin (CN) was determined" "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 6.34 "IC50" "In vitro inhibitory activity against HIV-1 RT in CEM4 cell line" "CHEMBL" "=" "Human immunodeficiency virus 1" "ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase FKBP1B" "Enzyme" "P68106" "FKBP1B" "FKB1B_HUMAN" 8.22 "Ki" "The compound was tested for inhibition of Peptidyl-propyl isomerase (PPIase)." "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Peptidyl-prolyl cis-trans isomerase D" "Enzyme" "Q08752" "PPID" "PPID_HUMAN" 8.15 "Ki" "Inhibition of fluorescein labeled cyclosporin binding to Cyp40 by fluorescence polarization competition assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ciclosporin" 760 "Solute carrier organic anion transporter family member 1B3" "Transporter" "Q9NPD5" "SLCO1B3" "SO1B3_HUMAN" 6.1 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ciclosporin" 760 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 6 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ciclosporin" 760 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 6.22 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ciclosporin" 760 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "Q9JHG7" "Pik3cg" "PK3CG_MOUSE" 6.24 "IC50" "Inhibition of PI3K-gamma in mouse lymph node cells assessed as inhibition of ConA-stimulated T cell proliferation" "CHEMBL" "=" "Mus musculus" "cyclothiazide" 761 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" "Mechanism of Action; CHEMBL1876; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61593" "INHIBITOR" "Tclin" "Homo sapiens" "cyclothiazide" 761 "Glutamate receptor 1" "Ion channel" "P42261" "GRIA1" "GRIA1_HUMAN" 5.7 "EC50" "Activity at recombinant GluA1 receptor flip isoform expressed in Xenopus oocytes co-expressing gamma2-TARP assessed as effect on 10 uM glutamate-induced current by voltage-clamp electrophysiological assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cyclothiazide" 761 "Glutamate receptor 2" "Ion channel" "P42262" "GRIA2" "GRIA2_HUMAN" 5.65 "EC50" "Activity at human recombinant GluA2 receptor flip isoform expressed in HEK293 cells assessed as effect on glutamate-induced calcium flux by Fluo-4/AM staining-based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cyclothiazide" 761 "Glutamate receptor 4" "Ion channel" "P48058" "GRIA4" "GRIA4_HUMAN" 5.41 "EC50" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "cyclothiazide" 761 "Glutamate receptor 3" "Ion channel" "P42263" "GRIA3" "GRIA3_HUMAN" 4.86 "EC50" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "cyclothiazide" 761 "Glutamate receptor ionotropic, AMPA" "Ion channel" "P19490|P19491|P19492|P19493" "Gria1|Gria2|Gria3|Gria4" "GRIA1_RAT|GRIA2_RAT|GRIA3_RAT|GRIA4_RAT" 5.21 "IC50" "Inhibition of binding to AMPA receptor from rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "cyclovalone" 762 "Nuclear factor NF-kappa-B p105 subunit" "Cytosolic other" "P19838" "NFKB1" "NFKB1_HUMAN" 5.38 "IC50" "Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and analogs were determined by a cellular firefly luciferase assay. This assay utilized a commercially available cell line (Panomics 293T-luc cellular assay) developed for screening inhibitors of NF-kB. This cell line is stably transfected with a luciferase reporter controlled by an NF-kB dependent promoter. The cell is stimulated with tumor necrosis factor alpha (TNFalpha) which activates NF-kB. NF-kB then binds to one of six promoter regions on the cell's DNA leading to the production of a luciferase enzyme. Luciferin is added to the cell lysates and the luciferase enzyme catalyzes a cleavage of luciferin leading to the emission of light." "CHEMBL" "=" "Tclin" "Homo sapiens" "cyclovalone" 762 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 4 "IC50" "Inhibitory activity against HIV-1 Integrase (HIV-1-IN)" "CHEMBL" "=" "Human immunodeficiency virus 1" "cyclovalone" 762 "Transcription factor AP-1" "Transcription factor" "P05412" "JUN" "JUN_HUMAN" 5.14 "IC50" "Cellular Firefly Luciferase Assay (AP-1): Curcumin is a known inhibitor of the AP-1 activation cascade. Therefore, modification of the structure of curcumin could lead to analogs with enhanced activity. The library consisting of three series of curcumin analogs were used to examine the role of the enone functionality in aryl systems where the spacer is 7-carbons (as in curcumin), 5-carbons or 3-carbons in length. In addition, the importance of aryl ring substituents was assessed. The AP-1 activities of curcumin and analogs were determined by a cellular firefly luciferase assay. This assay utilized a commercially available cell line (Panomics 293-luc cellular assay) developed for screening inhibitors of AP-1. This cell line is stably transfected with a luciferase reporter controlled by an AP-1 dependent promoter. The cell is stimulated with phorbol ester which activates AP-1. AP-1 then binds to one of three promoter regions on the cells DNA leading to the production of a lucif" "CHEMBL" "=" "Tchem" "Homo sapiens" "cycrimine" 763 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201227" "ANTAGONIST" "Tclin" "Homo sapiens" "cyproheptadine" 765 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.932 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.951 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.975 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.855 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "cyproheptadine" 765 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.39 "Ki" "Binding affinity towards Serotonin transporter using [3H]paroxetine as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.54 "Ki" "Binding affinity towards Norepinephrine transporter using [3H]nisoxitine as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.229 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.419 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.812 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.652 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.8 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cyproheptadine" 765 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.77 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.097 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 10.222 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL516" "ANTAGONIST" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.71 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.185 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cyproheptadine" 765 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.66 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.559 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.886 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.733 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproheptadine" 765 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" "cyproheptadine" 765 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.357 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "cyproheptadine" 765 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.899 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "cyproheptadine" 765 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.62 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9 "Kd" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "Cavia porcellus" "cyproheptadine" 765 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.85 "IC50" "Binding affinity at dopamine D2 receptor by [3H]spiperone displacement." "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.91 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.8 "Ki" "Binding affinity against 5-hydroxytryptamine 2A receptor from rat forebrain using [3H]ketanserin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.3 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6.54 "Ki" "Binding affinity to Norepinephrine transporter using [3H]-nisoxatine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "Mus musculus" "cyproheptadine" 765 "5-hydroxytryptamine receptor 2C" "GPCR" "P34968" "Htr2c" "5HT2C_MOUSE" 7.96 "Ki" "Binding affinity to 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "Mus musculus" "cyproheptadine" 765 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 6.95 "Ki" "Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "Mus musculus" "cyproheptadine" 765 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 5.39 "Ki" "Binding affinity to Serotonin transporter using [3H]-paroxetine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "Mus musculus" "cyproheptadine" 765 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "cyproheptadine" 765 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 8.4 "Ki" "Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of rat brain S1" "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 7.2 "Ki" "Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate" "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cyproheptadine" 765 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.51 "IC50" "Binding affinity at serotonin 5-hydroxytryptamine 2 receptor by [3H]ketanserin displacement." "CHEMBL" "=" "Rattus norvegicus" "cyproheptadine" 765 "Histone-lysine N-methyltransferase SETD7" "Enzyme" "Q8WTS6" "SETD7" "SETD7_HUMAN" 4.7 "IC50" "CHEMBL" "=" "Homo sapiens" "cyproterone acetate" 766 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.053 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cyproterone acetate" 766 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.796 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproterone acetate" 766 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.432 "IC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2865" "ANTAGONIST" "Tclin" "Homo sapiens" "cyproterone acetate" 766 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.678 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "cyproterone acetate" 766 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.74 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cyproterone acetate" 766 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.315 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "cyproterone acetate" 766 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 8.3 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cysteine" 769 "Cystine/glutamate transporter" "Transporter" "Q9UPY5" "SLC7A11" "XCT_HUMAN" 4.23 "Ki" "Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting" "CHEMBL" "=" "Tbio" "Homo sapiens" "cytarabine" 770 "Prostatic acid phosphatase" "Enzyme" "P15309" "ACPP" "PPAP_HUMAN" 7 "GI50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "cytarabine" 770 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.23 "IC50" "Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay" "CHEMBL" "=" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" "cytarabine" 770 "DNA polymerase beta" "Enzyme" "P06746" "POLB" "DPOLB_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "cytarabine" 770 "DNA polymerase (alpha/delta/epsilon)" "Enzyme" "P09884|P28340|Q07864" "POLA1|POLD1|POLE" "DPOLA_HUMAN|DPOD1_HUMAN|DPOE1_HUMAN" "Mechanism of Action; CHEMBL2363042; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL803" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cytarabine" 770 "E3 ubiquitin-protein ligase Mdm2" "Nuclear other" "Q00987" "MDM2" "MDM2_HUMAN" 7.7 "IC50" "Inhibition of MDM2 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "dacarbazine" 773 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 6.255 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "dacarbazine" 773 "DNA polymerase alpha subunit B" "Enzyme" "Q14181" "POLA2" "DPOA2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "dactinomycin" 774 "Growth factor receptor-bound protein 2" "Cytosolic other" "P62993" "GRB2" "GRB2_HUMAN" 5.3 "IC50" "Inhibition of GST-Grb2 Tyrosine kinase SH2 domain binding to [3H]labeled-phosphopeptide (Ac-SpYVNK-NH-C(O)-CH2CH2H3)" "CHEMBL" "=" "Tchem" "Homo sapiens" "dactinomycin" 774 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 5.05 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "dactinomycin" 774 "Growth factor receptor-bound protein 2" "Cytosolic other" "Q60631" "Grb2" "GRB2_MOUSE" 5.3 "IC50" "In vitro binding assay of Shc-derived phosphopeptide to Growth factor receptor bound protein 2 SH2 in B104-1-1 cells was determined" "CHEMBL" "=" "Mus musculus" "dactinomycin" 774 "Peptide-N(4)-(N-acetyl-beta-glucosaminyl)asparagine amidase" "Enzyme" "Q96IV0" "NGLY1" "NGLY1_HUMAN" 4.05 "Kd" "Binding affinity to recombinant hexa-histidine-tagged human full-length N-GLY1 catalytic domain expressed in Escherichia coli BL21 (DE3) by thermal shift assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "dabigatran etexilate" 776 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 4.96 "IC50" "Displacement of (S)-N4-(4-(3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanamido)butyl)-N1-(15-oxo-19-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10-trioxa-14-azanonadecyl)-2-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzamido)succinamide from human recombinant NQO2 after 1 hr by densitometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabigatran etexilate" 776 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.77 "Ki" "Inhibitory constant (Ki) was determined against human plasmin" "CHEMBL" "=" "Tclin" "Homo sapiens" "dabigatran etexilate" 776 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 8.35 "Ki" "Binding affinity to human thrombin" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL539697" "INHIBITOR" "Tclin" "Homo sapiens" "dabigatran etexilate" 776 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 5.42 "Ki" "Inhibitory constant (Ki) was determined against human Coagulation factor Xa (fXa)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dabigatran etexilate" 776 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" 4.34 "Ki" "Inhibitory constant (Ki) was determined against human Tissue plasminogen activator (tissue plasminogen activator)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dabigatran etexilate" 776 "Vitamin K-dependent protein C" "Enzyme" "P04070" "PROC" "PROC_HUMAN" 4.68 "Ki" "Inhibitory constant (Ki) was determined against human Activated protein C" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabigatran etexilate" 776 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.33 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabigatran etexilate" 776 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.09 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabigatran etexilate" 776 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.6 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabigatran etexilate" 776 "Trypsin" "Enzyme" "P07477|P07478|P35030" "PRSS1|PRSS2|PRSS3" "TRY1_HUMAN|TRY2_HUMAN|TRY3_HUMAN" 7.3 "Ki" "Inhibitory constant (Ki) was determined against human trypsin" "CHEMBL" "=" "Tchem|Tchem|Tclin|Tchem|Tchem|Tclin|Tchem|Tchem|Tclin" "Homo sapiens" "dabigatran etexilate" 776 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 6.08 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabigatran etexilate" 776 "Thrombin" "Unclassified" "Q28731" "thrombin" "Q28731_RABIT" 6.26 "IC50" "Inhibition of rabbit thrombin-induced platelet aggregation in rabbit platelet-rich plasma preincubated with rabbit liver microsomes for 4 hrs followed by addition to platelet" "CHEMBL" "=" "Oryctolagus cuniculus" "danazol" 779 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.243 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.99 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.163 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.087 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.248 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.597 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 4.976 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.009 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.425 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.708 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.894 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.462 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.265 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.2 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "danazol" 779 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.207 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.294 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "danazol" 779 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1479" "AGONIST" "Tclin" "Homo sapiens" "danazol" 779 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1479" "AGONIST" "Tclin" "Homo sapiens" "danazol" 779 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.523 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "danazol" 779 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "danazol" 779 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "danazol" 779 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.053 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "danazol" 779 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.097 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "danazol" 779 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.469 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "dantrolene" 780 "Ryanodine receptor 1" "Ion channel" "P21817" "RYR1" "RYR1_HUMAN" 6.757 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL928" "ANTAGONIST" "Tclin" "Homo sapiens" "dantrolene" 780 "Ryanodine receptor 3" "Ion channel" "Q15413" "RYR3" "RYR3_HUMAN" "Mechanism of Action; CHEMBL2062; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL928" "ANTAGONIST" "Tclin" "Homo sapiens" "dantrolene" 780 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 5.68 "Ki" "Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "dapiprazole" 781 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.929 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dapiprazole" 781 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.762 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dapiprazole" 781 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.173 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dapiprazole" 781 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.485 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dapiprazole" 781 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201044" "ANTAGONIST" "Tclin" "Homo sapiens" "dapiprazole" 781 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.279 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dapiprazole" 781 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.388 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7155" "ANTAGONIST" "Tclin" "Homo sapiens" "dapiprazole" 781 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dapiprazole" 781 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.523 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "dapiprazole" 781 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.02 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dapiprazole" 781 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.69 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dapsone" 782 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dapsone" 782 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.74 "Ki" "Antagonist activity at recombinant human 5-HT6 receptor expressed in HEK293 cells assessed as 5-HT-induced intracellular cAMP production after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "dapsone" 782 "Dihydropteroate synthase 1" "Enzyme" "P0C0X1" "folP1" "DHPS1_MYCLE" 5.9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1043" "INHIBITOR" "Mycobacterium leprae (strain TN)" "dapsone" 782 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 5.82 "IC50" "Inhibitory activity was determined against dihydrofolate reductase in Pneumocystis carinii. " "CHEMBL" "=" "Pneumocystis carinii" "dapsone" 782 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 6.38 "IC50" "Inhibition of MPO (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "dapsone" 782 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "dapsone" 782 "Dihydropteroate synthetase, putative" "Unclassified" "Q4Z710" "Q4Z710_PLABA" 4.91 "IC50" "Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei" "CHEMBL" "=" "Plasmodium berghei (strain Anka)" "dapsone" 782 "6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase" "Unclassified" "A0A113T0T6" "PPPK-DHPS" "A0A113T0T6_PLABE" 4.91 "IC50" "Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium berghei" "CHEMBL" "=" "Plasmodium berghei" "dapsone" 782 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 6.38 "IC50" "Inhibition of MPO (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "daptomycin" 783 "Outer membrane porin protein OmpD" "Transporter" "Q57P83" "ompD" "OMPD_SALCH" "WOMBAT-PK" "Salmonella choleraesuis (strain SC-B67)" "darifenacin" 784 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.5 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "darifenacin" 784 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.21 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "darifenacin" 784 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.6 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "darifenacin" 784 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.3 "Ki" "GRAC: human M1 antagonist" "CHEMBL" "=" "Tclin" "Homo sapiens" "darifenacin" 784 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.6 "Ki" "GRAC: human M2 antagonist" "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "darifenacin" 784 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.52 "Kd" "GRAC: human M3 probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1346" "ANTAGONIST" "Tclin" "Homo sapiens" "darifenacin" 784 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.1 "Ki" "GRAC: human M4 antagonist" "CHEMBL" "=" "Tclin" "Homo sapiens" "darifenacin" 784 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.64 "Ki" "Binding affinity (Ki) against binding of [3H]NMS using membranes from CHO cells expressing cloned human Muscarinic acetylcholine receptor M5" "CHEMBL" "=" "Tclin" "Homo sapiens" "darifenacin" 784 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.2 "Ki" "Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart" "CHEMBL" "=" "Rattus norvegicus" "darifenacin" 784 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8.6 "Ki" "Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland" "CHEMBL" "=" "Rattus norvegicus" "dasatinib" 785 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.19 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 9.2 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 9.6 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.24 "Kd" "Binding constant for KIT(L576P) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.1 "Kd" "Binding constant for EGFR(G719S) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 4.46 "IC50" "Inhibition of recombinant mTOR by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Breakpoint cluster region protein" "Kinase" "P11274" "BCR" "BCR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dasatinib" 785 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 9.68 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 9.7 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 9.52 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 9.1 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 9.07 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1421" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 6.24 "Kd" "Binding constant for RAF1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 6.3 "Kd" "Binding constant for BRAF kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.49 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.41 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.3 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.54 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 9.24 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 9.33 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.85 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 5.41 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 9.46 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.26 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.52 "IC50" "Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6 "Kd" "Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.54 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.46 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 9 "Kd" "Binding constant for full-length CSK" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 9.62 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 9.24 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "INHIBITOR" "Tclin" "Homo sapiens" "dasatinib" 785 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 8.85 "Kd" "Binding constant for full-length BMX" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 5.19 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "LIM domain kinase 1" "Kinase" "P53667" "LIMK1" "LIMK1_HUMAN" 6.24 "Kd" "Binding constant for full-length LIMK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.43 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.92 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 9.77 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase 11" "Kinase" "Q15759" "MAPK11" "MK11_HUMAN" 6.39 "Kd" "Binding constant for full-length p38-beta" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 9.62 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 8.92 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.85 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 5.68 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.7 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 5.82 "Kd" "Binding constant for full-length CSNK1E" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 9.3 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "INHIBITOR" "Tchem" "Homo sapiens" "dasatinib" 785 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.03 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 6.68 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 10.03 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 7.57 "Kd" "Binding constant for full-length p38-alpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 9.51 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "INHIBITOR" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 7.35 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 6.51 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.59 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 7.51 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 9.35 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 5.42 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 8.25 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.14 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 9.16 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 9.47 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Activin receptor type-1B" "Kinase" "P36896" "ACVR1B" "ACV1B_HUMAN" 6.48 "Kd" "Binding constant for ACVR1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase receptor R3" "Kinase" "P37023" "ACVRL1" "ACVL1_HUMAN" 6.34 "Kd" "Binding constant for ACVRL1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Activin receptor type-1" "Kinase" "Q04771" "ACVR1" "ACVR1_HUMAN" 6.21 "Kd" "Binding constant for ACVR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "TGF-beta receptor type-2" "Kinase" "P37173" "TGFBR2" "TGFR2_HUMAN" 5.54 "Kd" "Binding constant for TGFBR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 6 "Kd" "Binding constant for full-length MEK1" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 5.85 "Kd" "Binding constant for full-length MEK2" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 6.64 "IC50" "Inhibition of Itk F435T mutant" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 8.11 "Kd" "Binding constant for PTK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Proto-oncogene tyrosine-protein kinase LCK" "Kinase" "P06240" "Lck" "LCK_MOUSE" 10.19 "Ki" "Inhibition of murine Lck in presence of ATP" "CHEMBL" "=" "Mus musculus" "dasatinib" 785 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 8.85 "Kd" "Binding constant for full-length BTK" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 7.89 "Kd" "Binding constant for TEC kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 9.41 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.96 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 4.42 "IC50" "Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "dasatinib" 785 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 7.96 "Kd" "Activity of wild type chicken c N-terminal His-tagged Src expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "Gallus gallus" "dasatinib" 785 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.15 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 5.47 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 7.35 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 8.68 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "LIM domain kinase 2" "Kinase" "P53671" "LIMK2" "LIMK2_HUMAN" 7.07 "Kd" "Binding constant for full-length LIMK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 5.72 "Kd" "Binding constant for full-length MST4" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 6.59 "Kd" "Binding constant for full-length NLK" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 5.8 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 8.19 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Activin receptor type-2A" "Kinase" "P27037" "ACVR2A" "AVR2A_HUMAN" 6.68 "Kd" "Binding constant for ACVR2A kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Activin receptor type-2B" "Kinase" "Q13705" "ACVR2B" "AVR2B_HUMAN" 6.24 "Kd" "Binding constant for ACVR2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 7.96 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 8.52 "Kd" "Binding affinity to wild type DDR2 (unknown origin) by FLiK assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.89 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Chaperone activity of bc1 complex-like, mitochondrial" "Kinase" "Q8NI60" "COQ8A" "COQ8A_HUMAN" 6.72 "Kd" "Binding constant for ADCK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase MRCK gamma" "Kinase" "Q6DT37" "CDC42BPG" "MRCKG_HUMAN" 5.92 "Kd" "Binding constant for DMPK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 6.01 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase" "Kinase" "Q99640" "PKMYT1" "PMYT1_HUMAN" 6.89 "Kd" "Binding constant for PKMYT1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.19 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 5.19 "IC50" "Inhibition of AurB" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 9.68 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "INHIBITOR" "Tchem" "Homo sapiens" "dasatinib" 785 "Bone morphogenetic protein receptor type-1A" "Kinase" "P36894" "BMPR1A" "BMR1A_HUMAN" 5.15 "Kd" "Binding constant for BMPR1A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 5.51 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase MRCK alpha" "Kinase" "Q5VT25" "CDC42BPA" "MRCKA_HUMAN" 5.7 "Kd" "Binding constant for MRCKA kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase MRCK beta" "Kinase" "Q9Y5S2" "CDC42BPB" "MRCKB_HUMAN" 5.68 "Kd" "Binding constant for MRCKB kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 8.41 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 7.89 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "INHIBITOR" "Tchem" "Homo sapiens" "dasatinib" 785 "Dual specificity testis-specific protein kinase 1" "Kinase" "Q15569" "TESK1" "TESK1_HUMAN" 7.48 "Kd" "Binding constant for TESK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "TGF-beta receptor type-1" "Kinase" "P36897" "TGFBR1" "TGFR1_HUMAN" 6.64 "Kd" "Binding constant for TGFBR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 8.39 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Ephrin type-B receptor 3" "Kinase" "P54753" "EPHB3" "EPHB3_HUMAN" 8.16 "Kd" "Binding constant for EPHB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 7.26 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Rattus norvegicus" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.89 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.37 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Tyrosine-protein kinase Blk" "Kinase" "P16277" "Blk" "BLK_MOUSE" 8.1 "IC50" "Inhibition of mouse BLK" "CHEMBL" "=" "Mus musculus" "dasatinib" 785 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 10.41 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 5.28 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.85 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.55 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 5.43 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.64 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.34 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.1 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 6.11 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 7.74 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 7.55 "Kd" "Binding constant for QSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Wee1-like protein kinase 2" "Kinase" "P0C1S8" "WEE2" "WEE2_HUMAN" 6.7 "Kd" "Binding constant for WEE2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 7.28 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Quinolone resistance protein NorA" "Transporter" "P0A0J7" "norA" "NORA_STAAU" 4.94 "IC50" "Inhibition of NorA in Staphylococcus aureus SA1199B harboring GrlA A116E mutant assessed as inhibition of ethidium bromide efflux after 5 mins by fluorometric method" "CHEMBL" "=" "Staphylococcus aureus" "dasatinib" 785 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.92 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase VRK2" "Kinase" "Q86Y07" "VRK2" "VRK2_HUMAN" 5.49 "Kd" "Binding constant for VRK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 5.27 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 8.48 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "dasatinib" 785 "Serine/threonine-protein kinase Nek11" "Kinase" "Q8NG66" "NEK11" "NEK11_HUMAN" 6.33 "Kd" "Binding constant for NEK11 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "dasatinib" 785 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.19 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "Plasmodium falciparum" "dasatinib" 785 "MAP kinase p38" "Kinase" "O15264|P53778|Q15759|Q16539" "MAPK13|MAPK12|MAPK11|MAPK14" "MK13_HUMAN|MK12_HUMAN|MK11_HUMAN|MK14_HUMAN" 7 "IC50" "Inhibition of p38 kinase" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem" "Homo sapiens" "dasatinib" 785 "Dual specificity mitogen-activated protein kinase kinase; MEK1/2" "Kinase" "P36507|Q02750" "MAP2K2|MAP2K1" "MP2K2_HUMAN|MP2K1_HUMAN" 5.77 "IC50" "Inhibition of MEK" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dasatinib" 785 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 9.1 "IC50" "Inhibition of wild type Bcr-Abl" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dasatinib" 785 "Myelin transcription factor 1" "Transcription factor" "Q01538" "MYT1" "MYT1_HUMAN" 7.2 "IC50" "Binding affinity to human full-length His-tagged Myt1 kinase expressed in HEK293 cells by TR-FRET based binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "daunorubicin" 786 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "daunorubicin" 786 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL178" "INHIBITOR" "Tclin" "Homo sapiens" "daunorubicin" 786 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "daunorubicin" 786 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "daunorubicin" 786 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "daunorubicin" 786 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.72 "IC50" "Inhibitory concentration against Clostridium histolyticum Collagenase" "CHEMBL" "=" "Tchem" "Homo sapiens" "daunorubicin" 786 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.63 "AC50" "Active" "CHEMBL" "=" "Human herpesvirus 8" "deanol" 787 "High affinity choline transporter 1" "Transporter" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 4.25 "Ki" "CHEMBL" "=" "Mus musculus" "deanol" 787 "Creatine transporter" "Transporter" "P28570" "Slc6a8" "SC6A8_RAT" 4.68 "Ki" "CHEMBL" "=" "Rattus norvegicus" "debrisoquine" 788 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "debrisoquine" 788 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "decamethonium" 789 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.602 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "decamethonium" 789 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.23 "IC50" "Inhibition of AChE" "CHEMBL" "=" "Tclin" "Homo sapiens" "decamethonium" 789 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 6.09 "IC50" "Inhibition of histamine H3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "decamethonium" 789 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 5.46 "Ki" "Inhibition of mouse AChE" "CHEMBL" "=" "Mus musculus" "decamethonium" 789 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 5.24 "Ki" "Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "decamethonium" 789 "Muscle-type nicotinic acetylcholine receptor" "Ion channel" "P02708|P07510|P11230|Q04844|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRNE|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHE_HUMAN|ACHD_HUMAN" "Mechanism of Action; CHEMBL2362997; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1190" "PARTIAL AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "decitabine" 790 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" 7.52 "IC50" "Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201129" "INHIBITOR" "Tclin" "Homo sapiens" "decitabine" 790 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "Mechanism of Action; CHEMBL1992; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201129" "INHIBITOR" "Tclin" "Homo sapiens" "deferoxamine" 792 "Hypoxia-inducible factor 1-alpha" "Transcription factor" "Q16665" "HIF1A" "HIF1A_HUMAN" 4.75 "EC50" "Activation of human HIF1alpha expressed in DFX-induced human U2OS cells incubated for 30 mins prior to DFX-induction measured after overnight incubation by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "deferoxamine" 792 "Deoxyhypusine hydroxylase" "Enzyme" "Q9BU89" "DOHH" "DOHH_HUMAN" 5.3 "IC50" "Inhibition of DOHH (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "prasterone" 795 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "prasterone" 795 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.84 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "prasterone" 795 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" 5.21 "Ki" "Inhibition of human G6PDH using NADP as substrate by Lineweaver-Burke plot" "CHEMBL" "=" "Tchem" "Homo sapiens" "prasterone" 795 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "Q9GRG7" "g6pd" "Q9GRG7_9TRYP" 5.96 "Ki" "Inhibition of Trypanosoma brucei G6PDH using NADP as substrate by Lineweaver-Burke plot" "CHEMBL" "=" "Trypanosoma brucei" "delapril" 798 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.921 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/3021350" "Oryctolagus cuniculus" "delapril" 798 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9.97 "Ki" "ACE inhibition in human coronary artery tissue" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8891872" "https://pubmed.ncbi.nlm.nih.gov/8891872" "INHIBITOR" "Tclin" "Homo sapiens" "delavirdine" 799 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.276 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "delavirdine" 799 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.05 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "delavirdine" 799 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 6.5 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" "delavirdine" 799 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 8.1 "IC50" "HIV-1 reverse transcriptase inhibitory activity against Wild Type Reverse transcriptase using (poly)rC600*(oligo)dGT as template primer." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL593" "INHIBITOR" "Human immunodeficiency virus 1" "delavirdine" 799 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 5.92 "IC50" "Inhibition of HIV1 wild type reverse transcriptase using poly rC.dG and [3H]dGTP as substrate" "CHEMBL" "=" "Human immunodeficiency virus 1" "delavirdine" 799 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.07 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "Tbio" "Homo sapiens" "delorazepam" 800 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 8.745 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "delorazepam" 800 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRP|GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRE|GABRA6|GABRG1|GABRG3|GABRQ" "GBRP_HUMAN|GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRE_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN|GBRT_HUMAN" 8.55 "IC50" "In vitro displacement of [3H]-diazepam from GABA-A Benzodiazepine receptor" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "demecarium" 801 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201229" "INHIBITOR" "Tclin" "Homo sapiens" "demeclocycline" 802 "30S ribosomal protein S4" "Ribosomal protein" "P0A7V8" "rpsD" "RS4_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "demeclocycline" 802 "30S ribosomal protein S9" "Ribosomal protein" "P0A7X3" "rpsI" "RS9_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "demeclocycline" 802 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 7.21 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "denopamine" 806 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.33 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "denopamine" 806 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.8 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12487507" "AGONIST" "Tclin" "Homo sapiens" "deptropine" 808 "Acetylcholine-binding protein" "Unclassified" "P58154" "ACHP_LYMST" 5.7 "Ki" "Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting" "CHEMBL" "=" "Lymnaea stagnalis" "deptropine" 808 "Soluble acetylcholine receptor" "Unclassified" "Q8WSF8" "Q8WSF8_APLCA" 5.2 "Ki" "Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting" "CHEMBL" "=" "Aplysia californica" "desalkylflurazepam" 809 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 8.699 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "deserpidine" 810 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "Mechanism of Action; CHEMBL1893; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200515" "INHIBITOR" "Tclin" "Homo sapiens" "desflurane" 811 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" "desflurane" 811 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" "desflurane" 811 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" "desflurane" 811 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" "Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" "desflurane" 811 "Potassium channel subfamily K member 18" "Ion channel" "Q7Z418" "KCNK18" "KCNKI_HUMAN" "Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "OPENER" "Tclin" "Homo sapiens" "desflurane" 811 "Glycine receptor (alpha-1/beta)" "Ion channel" "P23415|P48167" "GLRA1|GLRB" "GLRA1_HUMAN|GLRB_HUMAN" "Mechanism of Action; CHEMBL2363052; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "desflurane" 811 "GABA-A receptor; anion channel" "Ion channel" "O00591|O14764|P14867|P18505|P18507|P28472|P31644|P34903|P47869|P47870|P48169|P78334|Q16445|Q8N1C3|Q99928|Q9UN88" "GABRP|GABRD|GABRA1|GABRB1|GABRG2|GABRB3|GABRA5|GABRA3|GABRA2|GABRB2|GABRA4|GABRE|GABRA6|GABRG1|GABRG3|GABRQ" "GBRP_HUMAN|GBRD_HUMAN|GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN|GBRA3_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN|GBRE_HUMAN|GBRA6_HUMAN|GBRG1_HUMAN|GBRG3_HUMAN|GBRT_HUMAN" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200733" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "desipramine" 812 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.263 "Ki" "PDSP" "Tclin" "Homo sapiens" "desipramine" 812 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.631 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.86 "Ki" "PDSP" "Tclin" "Homo sapiens" "desipramine" 812 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.86 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.755 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 9.081 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL72" "INHIBITOR" "Tclin" "Homo sapiens" "desipramine" 812 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.194 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "desipramine" 812 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.796 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "desipramine" 812 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.76 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.27 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.84 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desipramine" 812 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.975 "Ki" "PDSP" "Tclin" "Homo sapiens" "desipramine" 812 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 9.31 "Ki" "In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT)" "CHEMBL" "=" "Tclin" "Homo sapiens" "desipramine" 812 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "desipramine" 812 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.25 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "desipramine" 812 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 9.6 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "desipramine" 812 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.79 "Ki" "Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian" "CHEMBL" "=" "Rattus norvegicus" "desipramine" 812 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.19 "Ki" "Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "desipramine" 812 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 9.19 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "desipramine" 812 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 5.8 "IC50" "Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "Mus musculus" "desipramine" 812 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 5.03 "IC50" "Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins" "CHEMBL" "=" "Mus musculus" "desipramine" 812 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 9.1 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "Rattus norvegicus" "desipramine" 812 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 9.11 "Ki" "Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "desipramine" 812 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b" "5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT" 6.46 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "Rattus norvegicus" "desipramine" 812 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.62 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "desipramine" 812 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.49 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "desipramine" 812 "G protein-activated inward rectifier potassium channel 4" "Ion channel" "P48545" "Kcnj5" "KCNJ5_MOUSE" 4.3 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "desipramine" 812 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "deslanoside" 813 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1B1|ATP1A3|ATP1B2|ATP1A2|ATP1B3|FXYD2|ATP1A4" "AT1A1_HUMAN|AT1B1_HUMAN|AT1A3_HUMAN|AT1B2_HUMAN|AT1A2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN|AT1A4_HUMAN" "Mechanism of Action; CHEMBL2095186; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1614" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "desloratadine" 814 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.37 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "desloratadine" 814 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.914 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.956 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.025 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.553 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.796 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.997 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "desloratadine" 814 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.009 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.189 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1172" "ANTAGONIST" "Tclin" "Homo sapiens" "desloratadine" 814 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.967 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 4.8 "IC50" "Histamine H-4 Receptor Binding Assay: Histamine H-4 Receptor Binding Assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "desloratadine" 814 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.74 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.49 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.511 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "desloratadine" 814 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.698 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "nordazepam" 816 "Gamma-aminobutyric acid type B receptor subunit 2" "GPCR" "O75899" "GABBR2" "GABR2_HUMAN" 8.027 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nordazepam" 816 "Gamma-aminobutyric acid receptor subunit rho-2" "Ion channel" "P28476" "GABRR2" "GBRR2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "nordazepam" 816 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 6.284 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nordazepam" 816 "GABA-A receptor; anion channel" "Ion channel" "A2AMW3|P16305|P22723|P22933|P26048|P26049|P27681|P50571|P62812|P63080|Q8BHJ7|Q8QZW7|Q9D6F4|Q9JLF1|Q9R0Y8" "Gabre|Gabra6|Gabrg2|Gabrd|Gabra2|Gabra3|Gabrg3|Gabrb1|Gabra1|Gabrb3|Gabra5|Gabrp|Gabra4|Gabrq|Gabrg1" "A2AMW3_MOUSE|GBRA6_MOUSE|GBRG2_MOUSE|GBRD_MOUSE|GBRA2_MOUSE|GBRA3_MOUSE|GBRG3_MOUSE|GBRB1_MOUSE|GBRA1_MOUSE|GBRB3_MOUSE|GBRA5_MOUSE|GBRP_MOUSE|GBRA4_MOUSE|GBRT_MOUSE|GBRG1_MOUSE" 4.14 "Ki" "Binding affinity for umolar GABA-A central benzodiazepine receptor" "CHEMBL" "=" "Mus musculus" "desmopressin" 817 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 8.42 "Ki" "Binding affinity against human vasopressin V1a receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors" "CHEMBL" "=" "Tclin" "Homo sapiens" "desmopressin" 817 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 9.43 "Ki" "Binding affinity against human vasopressin V1b receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors" "CHEMBL" "=" "Tclin" "Homo sapiens" "desmopressin" 817 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 7.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "desmopressin" 817 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 9.01 "Ki" "Displacement of [3H]AVP from rat OT receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "desmopressin" 817 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 9.1 "Ki" "Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes" "CHEMBL" "=" "Rattus norvegicus" "desmopressin" 817 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 7.97 "Ki" "Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane" "CHEMBL" "=" "Rattus norvegicus" "desmopressin" 817 "Vasopressin V1b receptor" "GPCR" "P48974" "Avpr1b" "V1BR_RAT" 9.7 "Ki" "Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells" "CHEMBL" "=" "Rattus norvegicus" "desmopressin" 817 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 8.3 "Ki" "Binding affinity against human vasopressin V2 receptor was determined by using plasma membranes from CHO cells stably transfected with VP/OT receptors" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9792651" "AGONIST" "Tclin" "Homo sapiens" "desogestrel" 818 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1533" "AGONIST" "Tclin" "Homo sapiens" "desogestrel" 818 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.6 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "desoximetasone" 819 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.932 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16829" "AGONIST" "Tclin" "Homo sapiens" "desoximetasone" 819 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "desoximetasone" 819 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.959 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "desoxycortone" 820 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.854 "Ki" "PDSP" "Tclin" "Homo sapiens" "desoxycortone" 820 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.498 "Ki" "PDSP" "Tclin" "Homo sapiens" "desoxycortone" 820 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.699 "Ki" "PDSP" "Tclin" "Homo sapiens" "desoxycortone" 820 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.2 "IC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "desoxycortone" 820 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 11 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200542" "AGONIST" "Tclin" "Homo sapiens" "desoxycortone" 820 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.65 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "desoxycortone" 820 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.38 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "desoxycorticosterone acetate" 821 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" "Mechanism of Action; CHEMBL1994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200542" "AGONIST" "Tclin" "Homo sapiens" "desoxycorticosterone pivalate" 822 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 11 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200592" "AGONIST" "Tclin" "Homo sapiens" "dexamethasone" 824 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.886 "Ki" "PDSP" "Tclin" "Homo sapiens" "dexamethasone" 824 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.88 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "AGONIST" "Tclin" "Homo sapiens" "dexamethasone" 824 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "dexamethasone" 824 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 8.456 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dexamethasone" 824 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dexamethasone" 824 "Interleukin-4" "Cytokine" "P05112" "IL4" "IL4_HUMAN" 8.33 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "dexamethasone" 824 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.85 "Ki" "Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone" 824 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.25 "Ki" "Displacement of [3H]-methyltrienolone from human progesterone receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone" 824 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.786 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "dexamethasone" 824 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.66 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone" 824 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.517 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "dexamethasone" 824 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.66 "IC50" "Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone" 824 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O54915" "Nr1i2" "NR1I2_MOUSE" 6.1 "EC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "dexamethasone acetate" 826 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action; CHEMBL2034; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1651" "AGONIST" "Tclin" "Homo sapiens" "dexamethasone palmitate" 828 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.26 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone palmitate" 828 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7.48 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone palmitate" 828 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.85 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone palmitate" 828 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.25 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone palmitate" 828 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.09 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone palmitate" 828 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.66 "Ki" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone palmitate" 828 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 4.63 "IC50" "CHEMBL" "=" "Bos taurus" "dexamethasone palmitate" 828 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.66 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone valerate" 829 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.26 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone valerate" 829 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7.48 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone valerate" 829 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.85 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone valerate" 829 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.25 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone valerate" 829 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.09 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone valerate" 829 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.66 "Ki" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone valerate" 829 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 4.63 "IC50" "CHEMBL" "=" "Bos taurus" "dexamethasone valerate" 829 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.66 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dexbrompheniramine" 830 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201287" "ANTAGONIST" "Tclin" "Homo sapiens" "dexetimide" 831 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.9 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=354" "ANTAGONIST" "Tclin" "Homo sapiens" "dexetimide" 831 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "dexetimide" 831 "Muscarinic acetylcholine receptor" "GPCR" "P12657|P32211|Q920H4|Q9ERZ3|Q9ERZ4" "Chrm1|Chrm4|Chrm5|Chrm3|Chrm2" "ACM1_MOUSE|ACM4_MOUSE|ACM5_MOUSE|ACM3_MOUSE|ACM2_MOUSE" 8.48 "IC50" "Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice" "CHEMBL" "=" "Mus musculus" "dexfenfluramine" 832 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.002 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.275 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.664 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.176 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.08 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.607 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.384 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.79 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.042 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.257 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.62 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.733 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.577 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.326 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.156 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.72 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.898 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.706 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.848 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dexfenfluramine" 832 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.47 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dexketoprofen" 833 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.57 "IC50" "Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 from human" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07269" "INHIBITOR" "Tclin" "Homo sapiens" "dexketoprofen" 833 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.72 "IC50" "Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 from human" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07269" "INHIBITOR" "Tclin" "Homo sapiens" "dexloxiglumide" 834 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 6.886 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dexmedetomidine" 835 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.82 "EC50" "Agonist activity at human recombinant alpha2A adrenergic receptor expressed in CHO cells assessed as induction of [35S]GTPgammaS binding after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "AGONIST" "Tclin" "Homo sapiens" "dexmedetomidine" 835 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.7 "Ki" "PDSP" "Tclin" "Homo sapiens" "dexmedetomidine" 835 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.7 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "AGONIST" "Tclin" "Homo sapiens" "dexmedetomidine" 835 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.3 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL778" "AGONIST" "Tclin" "Homo sapiens" "dexmedetomidine" 835 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 10.82 "Ki" "In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexmedetomidine" 835 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.5 "Ki" "PDSP" "Tclin" "Homo sapiens" "dexmedetomidine" 835 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 10.82 "Ki" "Binding affinity towards alpha-2D adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "dexmedetomidine" 835 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.42 "EC50" "Agonist activity at bovine recombinant alpha-1A receptor expressed in HEK293 cells coexpressing Gag-pol assessed as increase in intracellular calcium measured after 60 mins by fluo-4 dye based FLIPR assay" "CHEMBL" "=" "Bos taurus" "dexmedetomidine" 835 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 10.82 "Ki" "In vitro binding affinity against alpha-2 adrenergic receptor in rat" "CHEMBL" "=" "Rattus norvegicus" "dexmedetomidine" 835 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 8.3 "Ki" "Tested for Binding affinity towards alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "dexmedetomidine" 835 "Alpha-1B adrenergic receptor" "GPCR" "G3HDX1" "" "G3HDX1_CRIGR" 6.44 "EC50" "Agonist activity at hamster recombinant alpha-1B receptor expressed in HEK293 cells coexpressing Gag-pol assessed as increase in intracellular calcium measured after 60 mins by fluo-4 dye based FLIPR assay" "CHEMBL" "=" "Cricetulus griseus" "dexmethylphenidate" 836 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "INHIBITOR" "Tclin" "Homo sapiens" "dexmethylphenidate" 836 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.8 "Ki" "Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL827" "INHIBITOR" "Tclin" "Homo sapiens" "dexmethylphenidate" 836 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.13 "Ki" "Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum" "CHEMBL" "=" "Rattus norvegicus" "dexmethylphenidate" 836 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.57 "Ki" "Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue" "CHEMBL" "=" "Rattus norvegicus" "dexmethylphenidate" 836 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 7.08 "IC50" "Potency of inhibiting [3H]WIN-35428 binding to dopamine receptor in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "dexniguldipine" 837 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.05 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2A adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexniguldipine" 837 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7.432 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "dexniguldipine" 837 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 10 "Ki" "GRAC: human a1A selective antagonist" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexniguldipine" 837 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.18 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2B adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexniguldipine" 837 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.35 "Ki" "Ability to displace [3H]rauwolscine from cloned human Alpha-2C adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexniguldipine" 837 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.72 "Ki" "Displacement of [125 I]AB-MECA from human Adenosine A3 receptor expressed in HEK cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexniguldipine" 837 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.77 "Ki" "Ability to displace [3H]prazosin from cloned human Alpha-1D adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexniguldipine" 837 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.25 "Ki" "Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexniguldipine" 837 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.824 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dexniguldipine" 837 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.42 "Ki" "Binding affinity towards Alpha-1B adrenergic receptor in rat liver using [3H]prazosin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "dexniguldipine" 837 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.2 "Ki" "Binding affinity towards Alpha-1A adrenergic receptor in rat hippocampal membranes using [3H]prazosin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "dexniguldipine" 837 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.08 "Ki" "Binding affinity towards Alpha-1D adrenergic receptor in rat brain using [3H]prazosin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "dexniguldipine" 837 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.53 "Ki" "Binding affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand" "CHEMBL" "=" "Rattus norvegicus" "dexniguldipine" 837 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.38 "Ki" "Displacement of [3H]R-PIA from Adenosine A1 receptor of rat brain membrane" "CHEMBL" "=" "Rattus norvegicus" "dexniguldipine" 837 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.42 "Ki" "Binding affinity towards Alpha-1A adrenergic receptor in bovine brain using [3H]prazosin as radioligand" "CHEMBL" "=" "Bos taurus" "dexniguldipine" 837 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 7.22 "Ki" "Inhibition of [3H]-isradipine binding to L-type [Ca2+] channel of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "dexniguldipine" 837 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2547493" "https://pubmed.ncbi.nlm.nih.gov/2547493" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dexamfetamine" 841 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.24 "Ki" "Inhibition of [3H]5-HT uptake at human SERT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "INHIBITOR" "Tclin" "Homo sapiens" "dexamfetamine" 841 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.18 "Ki" "PDSP" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.68 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "RELEASING AGENT" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Cocaine- and amphetamine-regulated transcript protein" "Transcription factor" "Q16568" "CARTPT" "CART_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "dexamfetamine" 841 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.84 "Ki" "Inhibition of human recombinant MAOA by spectrophotometrically" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "Mechanism of Action; CHEMBL1893; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL612" "INHIBITOR" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.87 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dexamfetamine" 841 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.75 "EC50" "Activity at SERT in rat synaptosomes obtained from whole brain minus striatum and cerebellum assessed as release of [3H]5-HT by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "dexamfetamine" 841 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.31 "IC50" "Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "dexamfetamine" 841 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.91 "Ki" "Inhibition of MAOA in rat brain mitochondrial suspension" "CHEMBL" "=" "Rattus norvegicus" "dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 6 "EC50" "Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader" "CHEMBL" "=" "Macaca mulatta" "dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.25 "EC50" "Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay" "CHEMBL" "=" "Rattus norvegicus" "dexamfetamine" 841 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 8.7 "EC50" "Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins" "CHEMBL" "=" "Mus musculus" "dexamfetamine" 841 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b" "5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT" 5.35 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "Rattus norvegicus" "dextromethorphan" 842 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.458 "D2" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "dextromethorphan" 842 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.842 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dextromethorphan" 842 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.48 "Ks" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dextromethorphan" 842 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 5.699 "IC50" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "dextromethorphan" 842 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" 6.33 "IC50" "Measured vs. exogenously expressed zeta1/epsilon3 (GRIN1/GRIN2C) subunits, at pH 6.9" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "dextromethorphan" 842 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.98 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dextromethorphan" 842 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 5.29 "Ki" "Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat" "CHEMBL" "=" "Rattus norvegicus" "dextromethorphan" 842 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 7.82 "IC50" "Displacement of [3H]pentazocine from sigma1 receptor in guinea pig membrane in presence of phenytoin" "CHEMBL" "=" "Cavia porcellus" "dextromethorphan" 842 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3b|Grin3a" "NMDZ1_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMD3B_RAT|NMD3A_RAT" 5.65 "Ki" "Binding affinity was measured against phencyclidine (PCP) receptor in rat using [3H]TCP as radioligand" "CHEMBL" "=" "Rattus norvegicus" "dextromethorphan" 842 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.89 "IC50" "Inhibition of [3H]batrachotoxin binding to rat brain sodium channel" "CHEMBL" "=" "Rattus norvegicus" "dextromethorphan" 842 "Taste receptor type 2 member 46" "GPCR" "P59540" "TAS2R46" "T2R46_HUMAN" 4.51 "EC50" "Agonist activity at human TAS2R46 stably expressed in HEK293T/Galpha16-gustducin 44 cells assessed as effect on calcium flux by measuring deltaF/F0 ratio by Fluo-4-AM dye based FLIPR assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "dextromethorphan" 842 "Taste receptor type 2 member 46" "GPCR" "P59540" "TAS2R46" "T2R46_HUMAN" 4.51 "EC50" "Agonist activity at human TAS2R46 stably expressed in HEK293T/Galpha16-gustducin 44 cells assessed as effect on calcium flux by measuring deltaF/F0 ratio by Fluo-4-AM dye based FLIPR assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "dextropropoxyphene" 844 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dextropropoxyphene" 844 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1213351" "AGONIST" "Tclin" "Homo sapiens" "dextropropoxyphene" 844 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 5.301 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dextrothyroxine" 846 "Thyroid hormone receptor beta" "Transcription factor" "P18113" "Thrb" "THB_RAT" 7.46 "IC50" "In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor" "CHEMBL" "=" "Rattus norvegicus" "dextrothyroxine" 846 "Thyroid hormone receptor" "Nuclear hormone receptor" "P10827|P10828" "THRA|THRB" "THA_HUMAN|THB_HUMAN" "Mechanism of Action; CHEMBL2111462; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL559" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dextrothyroxine" 846 "Glutamate NMDA receptor" "Ion channel" "P35439|Q00959|Q00960|Q00961|Q62645|Q8VHN2|Q9R1M7" "Grin1|Grin2a|Grin2b|Grin2c|Grin2d|Grin3b|Grin3a" "NMDZ1_RAT|NMDE1_RAT|NMDE2_RAT|NMDE3_RAT|NMDE4_RAT|NMD3B_RAT|NMD3A_RAT" 6.48 "IC50" "Ability to displace [3H]L-689560 from NMDA receptor glycine site in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "dezocine" 847 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.42 "EC50" "Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1685" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "dezocine" 847 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1685" "ANTAGONIST" "Tclin" "Homo sapiens" "diacerein" 849 "Caspase-3" "Enzyme" "P42574" "CASP3" "CASP3_HUMAN" 5.1 "EC50" "PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response assay for activators of procaspase-3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463141, AID463197, AID463210, AID488941, AID488954, AID493114, AID493115, AID504328, AID504330]" "CHEMBL" "=" "Tchem" "Homo sapiens" "diacerein" 849 "Caspase-7" "Enzyme" "P55210" "CASP7" "CASP7_HUMAN" 4.83 "EC50" "PUBCHEM_BIOASSAY: Counterscreen for procaspase-3 activators: absorbance-based biochemical high throughput dose response assay for activators of procaspase-7. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463141, AID463197, AID463210, AID488941, AID488954, AID493114, AID493115, AID504328, AID504330]" "CHEMBL" "=" "Tchem" "Homo sapiens" "diacerein" 849 "Female germline-specific tumor suppressor gld-1" "Unclassified" "Q17339" "gld-1" "GLD1_CAEEL" 5.14 "IC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "diacerein" 849 "N-acylethanolamine-hydrolyzing acid amidase" "Enzyme" "Q02083" "NAAA" "NAAA_HUMAN" 6.16 "IC50" "Time dependent inhibition of recombinant human NAAA expressed in HEK293 cells by liquid scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "diazepam" 852 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.203 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 7.64 "Kd" "Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "diazepam" 852 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diazepam" 852 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 4.1 "Ki" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "diazepam" 852 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.92 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "diazepam" 852 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 5.25 "IC50" "Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90) (" "CHEMBL" "=" "Tchem" "Homo sapiens" "diazepam" 852 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 5.62 "IC50" "Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90) (" "CHEMBL" "=" "Tchem" "Homo sapiens" "diazepam" 852 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 4.08 "IC50" "Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in E. coli. In each case, a discontinuous radiometric assay may be used to monitor the inhibition of progesterone reduction (20-ketosteroid reduction) catalyzed by AKR1C1, the inhibition of Δ4-AD reduction (17-ketosteroid reduction) catalyzed by AKR1C3, and the inhibition of 5α-DHT reduction (3-ketosteroid reduction) catalyzed by AKR1C2 and AKR1C4 (by measuring the formation of 20α-hydroxyprogesterone, testosterone or 3α-androstanediol by radiochromatography). Secondary screens of the compounds of interest include: (a) a full-screen against all nine human recombinant AKR enzymes to ensure there are no-intended off-target effects (in this context AKR1B10 (retinal reductase SEQ ID NO:5) has been shown to be potently inhibited by N-phenylanthranilates) (Endo et al., 2010, Biol. Pharm. Bull. 33:886-90) (" "CHEMBL" "=" "Tchem" "Homo sapiens" "diazepam" 852 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 6.27 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.89 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "Electrophorus electricus" "diazepam" 852 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 6.67 "Kd" "Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "Thyrotropin-releasing hormone receptor" "GPCR" "Q01717" "Trhr" "TRFR_RAT" 5.15 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "diazepam" 852 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.37 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "Equus caballus" "diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P62813" "Gabra1" "GBRA1_RAT" 7.96 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P23576" "Gabra2" "GBRA2_RAT" 7.82 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-2-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P19969" "Gabra5" "GBRA5_RAT" 8.01 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 7.143 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 7.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" 7.65 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 7.959 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.705 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 7.854 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 8.54 "Ki" "In vitro binding affinity against benzodiazepine receptor using [3H]diazepam as radioligand" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "GABA-A receptor; anion channel" "Ion channel" "P08219|P08220|P10063|P10064|P20237|P22300" "GABRA1|GABRB1|GABRA2|GABRA3|GABRA4|GABRG2" "GBRA1_BOVIN|GBRB1_BOVIN|GBRA2_BOVIN|GBRA3_BOVIN|GBRA4_BOVIN|GBRG2_BOVIN" 8 "Ki" "Displacement of [3H]Ro-151788 from GABA-A benzodiazepine receptor of bovine brain membranes" "CHEMBL" "=" "Bos taurus" "diazepam" 852 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18508|P20236|P63138" "Gabrg2|Gabra3|Gabrb2" "GBRG2_RAT|GBRA3_RAT|GBRB2_RAT" 7.86 "Ki" "Displacement of [3H]Ro-151788 from rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "GABA A receptor alpha-6/beta-2/gamma-2" "Ion channel" "P18508|P30191|P63138" "Gabrg2|Gabra6|Gabrb2" "GBRG2_RAT|GBRA6_RAT|GBRB2_RAT" 8.68 "Ki" "Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gamma2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "GABA-A receptor; alpha-1/beta-2/gamma-2" "Ion channel" "P18508|P62813|P63138" "Gabrg2|Gabra1|Gabrb2" "GBRG2_RAT|GBRA1_RAT|GBRB2_RAT" 7.92 "Ki" "Displacement of [3H]Ro15-1788 from rat recombinant GABA alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "GABA-A receptor; anion channel" "Ion channel" "A2AMW3|P16305|P22723|P22933|P26048|P26049|P27681|P50571|P62812|P63080|Q8BHJ7|Q8QZW7|Q9D6F4|Q9JLF1|Q9R0Y8" "Gabre|Gabra6|Gabrg2|Gabrd|Gabra2|Gabra3|Gabrg3|Gabrb1|Gabra1|Gabrb3|Gabra5|Gabrp|Gabra4|Gabrq|Gabrg1" "A2AMW3_MOUSE|GBRA6_MOUSE|GBRG2_MOUSE|GBRD_MOUSE|GBRA2_MOUSE|GBRA3_MOUSE|GBRG3_MOUSE|GBRB1_MOUSE|GBRA1_MOUSE|GBRB3_MOUSE|GBRA5_MOUSE|GBRP_MOUSE|GBRA4_MOUSE|GBRT_MOUSE|GBRG1_MOUSE" 4.07 "Ki" "Binding affinity for umolar GABA-A central benzodiazepine receptor" "CHEMBL" "=" "Mus musculus" "diazepam" 852 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18508|P23576|P63138" "Gabrg2|Gabra2|Gabrb2" "GBRG2_RAT|GBRA2_RAT|GBRB2_RAT" 7.7 "Ki" "Binding affinity for recombinant rat GABA-A receptor alpha-2-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "GABA A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18508|P19969|P63079" "Gabrg2|Gabra5|Gabrb3" "GBRG2_RAT|GBRA5_RAT|GBRB3_RAT" 7.96 "Ki" "Binding affinity for recombinant rat GABA-A receptor alpha-5-beta-3-gamma-2 subunits expressed in HEK 293 cells" "CHEMBL" "=" "Rattus norvegicus" "diazepam" 852 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" 7.939 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.665 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRB3|GABRA5|GABRG3" "GBRB3_HUMAN|GBRA5_HUMAN|GBRG3_HUMAN" 7.203 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazepam" 852 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRG2|GABRA5|GABRB2" "GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN" 8.004 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL12" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazoxide" 854 "Nicotinamide phosphoribosyltransferase" "Enzyme" "P43490" "NAMPT" "NAMPT_HUMAN" 3.64 "Kd" "Binding affinity to NAMPT (2 to 491) (unknown origin) by surface plasmon resonance analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "diazoxide" 854 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 4.63 "EC50" "Activation of human recombinant SUR1/Kir6.2 channel expressed in HEK293 cells assessed as increase in ionic current by whole cell patch clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL181" "OPENER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diazoxide" 854 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q61743" "Kcnj11" "KCJ11_MOUSE" 4.2 "EC50" "IUPHAR" "=" "ACTIVATOR" "Mus musculus" "dibekacin" 855 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 5.921 "Km" "WOMBAT-PK" "=" "Escherichia coli" "cinchocaine" 859 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1086" "BLOCKER" "Tclin" "Homo sapiens" "cinchocaine" 859 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1086" "BLOCKER" "Tclin" "Homo sapiens" "cinchocaine" 859 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.85 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "phenazone" 861 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "phenazone" 861 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 3.081 "IC50" "inhibition of calcium response evoked by the TRPA1 agonist AITC (10uM) in IMR90" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25765567" "https://pubmed.ncbi.nlm.nih.gov/25765567" "BLOCKER" "Tclin" "Homo sapiens" "dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial" "Kinase" "Q15118" "PDK1" "PDK1_HUMAN" 3 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9405293" "INHIBITOR" "Tchem" "Homo sapiens" "dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial" "Kinase" "Q15119" "PDK2" "PDK2_HUMAN" 3.699 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9405293" "INHIBITOR" "Tbio" "Homo sapiens" "dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial" "Kinase" "Q15120" "PDK3" "PDK3_HUMAN" 2.097 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9405293" "INHIBITOR" "Tbio" "Homo sapiens" "dichloroacetic acid" 862 "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial" "Kinase" "Q16654" "PDK4" "PDK4_HUMAN" 3.301 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9405293" "INHIBITOR" "Tbio" "Homo sapiens" "dichlorophen" 863 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.15 "IC50" "Inhibition of human recombinant IDO expressed in Escherichia coli BL21 AI" "CHEMBL" "=" "Tchem" "Homo sapiens" "dichlorophen" 863 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.08 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dichlorophen" 863 "78 kDa glucose-regulated protein" "Unclassified" "P11021" "HSPA5" "GRP78_HUMAN" 4 "IC50" "Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG fluorescent peptide addition in presence of 20 uM ADP followed by further incubation for 2 hrs by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.42 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 8.301 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.02 "Ki" "Inhibition of human full length carbonic anhydrase 4 by stopped flow CO2 hydrase assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.602 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.301 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.301 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL17" "INHIBITOR" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.201 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.678 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7.577 "Ki" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.423 "Ki" "WOMBAT-PK" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "dichlorphenamide" 864 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.1 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.46 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.64 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "Mus musculus" "dichlorphenamide" 864 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 6.42 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes" "CHEMBL" "=" "Bos taurus" "dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.82 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "dichlorphenamide" 864 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.64 "Ki" "Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dichlorphenamide" 864 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.02 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.99 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.42 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.95 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" "dichlorphenamide" 864 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 6.37 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 7.1 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "dichlorphenamide" 864 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 5.92 "Ki" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "dichlorphenamide" 864 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 7.21 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "Astrosclera willeyana" "dichlorphenamide" 864 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.06 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "dichlorphenamide" 864 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.34 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "dichlorphenamide" 864 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 5.7 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "dichlorphenamide" 864 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.2 "Ki" "CHEMBL" "=" "Anopheles gambiae" "dichlorphenamide" 864 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 7.61 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "dichlorphenamide" 864 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.07 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "diclofenac" 865 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "INHIBITOR" "Tclin" "Homo sapiens" "diclofenac" 865 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.52 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL139" "INHIBITOR" "Tclin" "Homo sapiens" "diclofenac" 865 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 6 "Kd" "CHEMBL" "=" "Tclin" "Homo sapiens" "diclofenac" 865 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 5.59 "IC50" "Inhibition of recombinant human AKR1C3" "CHEMBL" "=" "Tchem" "Homo sapiens" "diclofenac" 865 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "diclofenac" 865 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.49 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by competitive fluorescence displacement assay" "CHEMBL" "=" "Rattus norvegicus" "diclofenac" 865 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 8.1 "IC50" "Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear leukocyte pretreated for 15 mins measured after 4 hrs by cell migration assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "diclofenac" 865 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.25 "EC50" "Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "diclofenac" 865 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.66 "IC50" "Inhibition of mouse COX2 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" "Mus musculus" "diclofenac" 865 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 7.17 "IC50" "Inhibition of ovine COX1 for 17 mins pre-incubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" "Ovis aries" "diclofenac" 865 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 7.22 "IC50" "Inhibition of sheep placental cotyledons COX2" "CHEMBL" "=" "Ovis aries" "diclofenac" 865 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 5.72 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "diclofenac" 865 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 8.52 "IC50" "Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC" "CHEMBL" "=" "Bos taurus" "diclofenac" 865 "Acid-sensing ion channel 3" "Ion channel" "Q9UHC3" "ASIC3" "ASIC3_HUMAN" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "diclofenac" 865 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 7.92 "IC50" "Inhibition of wild type CXCR1 transfected in mouse L1.2 cells assessed as inhibition of CXCL8-induced cell migration pretreated for 15 mins measured after 4 hrs" "CHEMBL" "=" "Tchem" "Homo sapiens" "diclofenac" 865 "UDP-glucuronosyltransferase 1-1" "Enzyme" "P22309" "UGT1A1" "UD11_HUMAN" 4.28 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A1" "CHEMBL" "=" "Tbio" "Homo sapiens" "diclofenac" 865 "UDP-glucuronosyltransferase 1-7" "Enzyme" "Q9HAW7" "UGT1A7" "UD17_HUMAN" 4.72 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A7" "CHEMBL" "=" "Tbio" "Homo sapiens" "diclofenac" 865 "UDP-glucuronosyltransferase 1-6" "Enzyme" "P19224" "UGT1A6" "UD16_HUMAN" 4.64 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A6" "CHEMBL" "=" "Tbio" "Homo sapiens" "diclofenac" 865 "UDP-glucuronosyltransferase 1-9" "Enzyme" "O60656" "UGT1A9" "UD19_HUMAN" 4.96 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A9" "CHEMBL" "=" "Tbio" "Homo sapiens" "diclofenac" 865 "UDP-glucuronosyltransferase 1-10" "Enzyme" "Q9HAW8" "UGT1A10" "UD110_HUMAN" 4.55 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A10" "CHEMBL" "=" "Tbio" "Homo sapiens" "diclofenac" 865 "Transient receptor potential cation channel subfamily M member 3" "Ion channel" "Q9HCF6" "TRPM3" "TRPM3_HUMAN" 5.2 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "diclofenac" 865 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.25 "EC50" "Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-4-AM dye based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dicloxacillin" 866 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dicloxacillin" 866 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dicloxacillin" 866 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.66 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dicloxacillin" 866 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dicloxacillin" 866 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "dicloxacillin" 866 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.11 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dicloxacillin" 866 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.16 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "dicloxacillin" 866 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 4.42 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dicloxacillin" 866 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 7.22 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "dicloxacillin" 866 "Penicillin-binding protein" "Enzyme" "P72355|Q53707|Q53725|Q53729|Q9XDB3" "pbp4|mecA|pbpA|PBP2|pbpF" "P72355_STAAU|Q53707_STAAU|Q53725_STAAU|Q53729_STAAU|Q9XDB3_STAAU" "Mechanism of Action; CHEMBL2362972; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL893" "INHIBITOR" "Staphylococcus aureus" "dicoumarol" 867 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.971 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "dicoumarol" 867 "NAD(P)H dehydrogenase [quinone] 1" "Enzyme" "P15559" "NQO1" "NQO1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "dicoumarol" 867 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.388 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "dicoumarol" 867 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.354 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "dicoumarol" 867 "Proprotein convertase subtilisin/kexin type 7" "Enzyme" "Q16549" "PCSK7" "PCSK7_HUMAN" 5.89 "IC50" "Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubated for 1 hr measured after 1 hr at 1 min interval by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dicoumarol" 867 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 7.41 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "dicoumarol" 867 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.33 "IC50" "Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay" "CHEMBL" "=" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" "dicoumarol" 867 "Urease" "Enzyme" "P07374" "UREA_CANEN" 4.82 "IC50" "Inhibition of jack bean urease" "CHEMBL" "=" "Canavalia ensiformis" "dicoumarol" 867 "ATP phosphoribosyltransferase" "Enzyme" "P9WMN1" "hisG" "HIS1_MYCTU" 4.22 "Ki" "Inhibition of Mycobacterium tuberculosis HisG assessed as phosphoribosyl ATP production by spectrophotometry" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "dicoumarol" 867 "NULLD(P)H dehydrogenase [quinone] 1" "Enzyme" "P05982" "Nqo1" "NQO1_RAT" 9 "Ki" "Competitive binding affinity to rat liver NQO1 in presence of NADPH" "CHEMBL" "=" "Rattus norvegicus" "dicoumarol" 867 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 5.509 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/17275317" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1466" "INHIBITOR" "Tclin" "Homo sapiens" "dicycloverine" 868 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.686 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.773 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.161 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.082 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.611 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.847 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "dicycloverine" 868 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.386 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.796 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.079 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1123" "ANTAGONIST" "Tclin" "Homo sapiens" "dicycloverine" 868 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "dicycloverine" 868 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.033 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1123" "ANTAGONIST" "Tclin" "Homo sapiens" "dicycloverine" 868 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.386 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.767 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dicycloverine" 868 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.327 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "dicycloverine" 868 "SMR1-alpha2" "Unclassified" "P70676" "Vcsa2" "P70676_RAT" 6.538 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "dicycloverine" 868 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.33 "Ki" "Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates" "CHEMBL" "=" "Rattus norvegicus" "dicycloverine" 868 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.61 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates" "CHEMBL" "=" "Rattus norvegicus" "dicycloverine" 868 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.55 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "didanosine" 869 "Reverse transcriptase/RNaseH" "Enzyme" "Q72549" "pol" "Q72549_9HIV1" 5.21 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1460" "INHIBITOR" "Human immunodeficiency virus 1" "dienestrol" 870 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 4.88 "EC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 639 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1018" "AGONIST" "Tclin" "Homo sapiens" "dienogest" 871 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022252s004lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "diethazine" 872 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.99 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "diethylcarbamazine" 873 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "diethylcarbamazine" 873 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "diethylcarbamazine" 873 "Nematode GABA-A receptor" "Ion channel" "E1FVX6|E1G1C3" "E1FVX6_LOALO|E1G1C3_LOALO" "Mechanism of Action; CHEMBL2364676; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL684" "POSITIVE MODULATOR" "Loa loa" "diethylpropion" 874 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "Mechanism of Action; CHEMBL222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1194666" "INHIBITOR" "Tclin" "Homo sapiens" "diethylpropion" 874 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "Mechanism of Action; CHEMBL238; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1194666" "INHIBITOR" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.316 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "diethylstilbestrol" 875 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 4.894 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.252 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.63 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.411 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.353 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.296 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.276 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.178 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.439 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.864 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.699 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 4.575 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.223 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.272 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.525 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.437 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.408 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.317 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.657 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.07 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.778 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.904 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 4.84 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.274 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.739 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.66 "Ki" "Displacement of [3H]Estradiol from human recombinant estrogen receptor alpha expressed in Sf9 cells after 2 hrs" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL411" "AGONIST" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.019 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.593 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 9.2 "Ki" "In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen receptor beta" "CHEMBL" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Estrogen-related receptor gamma" "Nuclear hormone receptor" "P62508" "ESRRG" "ERR3_HUMAN" 5.3 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 5.05 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "CHEMBL" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 4.983 "Ki" "DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.847 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diethylstilbestrol" 875 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.361 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Steroid hormone receptor ERR2" "Nuclear hormone receptor" "O95718" "ESRRB" "ERR2_HUMAN" 5.3 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.483 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.497 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.85 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "diethylstilbestrol" 875 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.528 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "diethylstilbestrol" 875 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 5.052 "Ki" "DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4)" "DRUG MATRIX" "=" "Cavia porcellus" "diethylstilbestrol" 875 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.214 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "diethylstilbestrol" 875 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.71 "IC50" "CHEMBL" "=" "Rattus norvegicus" "diethylstilbestrol" 875 "UDP-glucose 4-epimerase" "Enzyme" "Q14376" "GALE" "GALE_HUMAN" 4.12 "IC50" "Inhibition of human GalE by HPAEC assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "diethylstilbestrol" 875 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "O08580" "Esrra" "ERR1_MOUSE" 5.3 "IC50" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "difenoxin" 878 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action; CHEMBL233; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201321" "AGONIST" "Tclin" "Homo sapiens" "diflunisal" 880 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.09 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL898" "INHIBITOR" "Tclin" "Homo sapiens" "diflunisal" 880 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL898" "INHIBITOR" "Tclin" "Homo sapiens" "diflunisal" 880 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.03 "Ki" "Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot" "CHEMBL" "=" "Tclin" "Homo sapiens" "diflunisal" 880 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 7.125 "Kd1" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diflunisal" 880 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.07 "Ki" "Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot" "CHEMBL" "=" "Tclin" "Homo sapiens" "diflunisal" 880 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 4.47 "Ki" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "diflunisal" 880 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 4.47 "Ki" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "digitoxin" 881 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 6.648 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "digitoxin" 881 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.857 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "digitoxin" 881 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL254219" "INHIBITOR" "Tclin" "Homo sapiens" "digitoxin" 881 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P50997" "ATP1A1" "AT1A1_CANFA" 8.1 "IC50" "Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomes" "CHEMBL" "=" "Canis familiaris" "digitoxin" 881 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 6.15 "IC50" "PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1317, 1265, 1308, 862 ]" "CHEMBL" "=" "Tchem" "Homo sapiens" "digitoxin" 881 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1B1|ATP1A3|ATP1B2|ATP1A2|ATP1B3|FXYD2|ATP1A4" "AT1A1_HUMAN|AT1B1_HUMAN|AT1A3_HUMAN|AT1B2_HUMAN|AT1A2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN|AT1A4_HUMAN" 8.1 "IC50" "Inhibition of [3H]- ouabain binding to digitalis receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "digoxin" 882 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.783 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "digoxin" 882 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.136 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "digoxin" 882 "Nuclear receptor ROR-gamma" "Nuclear hormone receptor" "P51449" "RORC" "RORG_HUMAN" 5.7 "IC50" "Antagonist activity at transactivation domain of RORgammat (unknown origin) expressed in Drosophila Schneider cells co-expressing Gal4-DNA binding domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "digoxin" 882 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P50997" "ATP1A1" "AT1A1_CANFA" 6.3 "IC50" "Inhibition of Na+/K+ ATPase from dog kidney" "CHEMBL" "=" "Canis familiaris" "digoxin" 882 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 5.73 "IC50" "PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1317, 1265, 1308, 862 ]" "CHEMBL" "=" "Tchem" "Homo sapiens" "digoxin" 882 "Sodium/potassium-transporting ATPase" "Transporter" "P05023|P05026|P13637|P14415|P50993|P54709|P54710|Q13733" "ATP1A1|ATP1B1|ATP1A3|ATP1B2|ATP1A2|ATP1B3|FXYD2|ATP1A4" "AT1A1_HUMAN|AT1B1_HUMAN|AT1A3_HUMAN|AT1B2_HUMAN|AT1A2_HUMAN|AT1B3_HUMAN|ATNG_HUMAN|AT1A4_HUMAN" 6.4 "IC50" "Inhibitory activity against Na+/K+ ATPase was determined" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1751" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "digoxin" 882 "Nuclear receptor ROR-gamma" "Nuclear hormone receptor" "P51450" "Rorc" "RORG_MOUSE" 5.7 "IC50" "Inhibition of mouse Gal4 DNA binding domain-fused ROR gamma expressed in Drosophila S2 cells assessed as inhibition of transcriptional activity by luciferase reporter assay" "CHEMBL" "=" "Mus musculus" "alpha-Ergocryptine" 885 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.007 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.695 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.187 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.526 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.222 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.824 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.854 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.085 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.114 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.121 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "alpha-Ergocryptine" 885 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.921 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.699 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.728 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.261 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.369 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "alpha-Ergocryptine" 885 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.222 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "alpha-Ergocryptine" 885 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.1 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.299 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "alpha-Ergocryptine" 885 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.96 "IC50" "CHEMBL" "=" "Rattus norvegicus" "alpha-Ergocryptine" 885 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.58 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dihydrocodeine" 886 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action; CHEMBL233; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1595" "AGONIST" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.087 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "dihydroergocristine" 887 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.462 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.23 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.309 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.127 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.523 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.385 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.373 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.377 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.903 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.72 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "CHEMBL" "=" "Tchem" "Homo sapiens" "dihydroergocristine" 887 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.442 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.11 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.605 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.9 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.183 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dihydroergocristine" 887 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.523 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "dihydroergocristine" 887 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.523 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "dihydroergocristine" 887 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.896 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.959 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "dihydroergocristine" 887 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.79 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.14 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dihydroergocristine" 887 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.804 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "dihydroergotamine" 888 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.922 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.529 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.412 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.301 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.424 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.644 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.364 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.328 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.83 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "CHEMBL" "=" "Tchem" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.752 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.742 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 9.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1732" "AGONIST" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.821 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.69 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "dihydroergotamine" 888 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.349 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 9.416 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "dihydroergotamine" 888 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.3 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.18 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "dihydroergotamine" 888 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 4.64 "IC50" "Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKB in mouse fore brain membranes" "CHEMBL" "=" "Mus musculus" "dihydroergotamine" 888 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "dihydroergotamine" 888 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.3 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dihydroergotamine" 888 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.55 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dihydroergotamine" 888 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.9 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dihydroergotamine" 888 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.43 "IC50" "Inhibition of specific [3H]clonidine binding (0.4 nM) to rat brain membranes alpha-2 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "hydroquinidine" 889 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydroquinidine" 889 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "hydroquinidine" 889 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "hydroquinidine" 889 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "hydroquinidine" 889 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "hydroquinidine" 889 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dilazep" 893 "Equilibrative nucleoside transporter 1" "Transporter" "Q99808" "SLC29A1" "S29A1_HUMAN" 9 "Ki" "GRAC: human ENT1 selective inhibitor" "CHEMBL" "=" "Tclin" "Homo sapiens" "dilazep" 893 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.22 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dilazep" 893 "Equilibrative nucleoside transporter 2" "Transporter" "O54699" "Slc29a2" "S29A2_RAT" 5.06 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dilevalol" 894 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dilevalol" 894 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dilevalol" 894 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dilevalol" 894 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dilevalol" 894 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.53 "Ki" "CHEMBL" "=" "Rattus norvegicus" "diltiazem" 897 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.76 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "diltiazem" 897 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.736 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diltiazem" 897 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.37 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "diltiazem" 897 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.62 "Ki" "PDSP" "Tclin" "Homo sapiens" "diltiazem" 897 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.68 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "diltiazem" 897 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" 6.1 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 7.319 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL23" "BLOCKER" "Tclin" "Homo sapiens" "diltiazem" 897 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.017 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" 6.42 "Ki" "Displacement of [3H]diltiazem from L-type calcium channel of guinea pig striated muscle" "CHEMBL" "=" "Tclin" "Homo sapiens" "diltiazem" 897 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.91 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 4.52 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in rabbit cardiac muscle" "CHEMBL" "=" "Oryctolagus cuniculus" "diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 7.27 "IC50" "Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate." "CHEMBL" "=" "Rattus norvegicus" "diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 7.34 "IC50" "Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex homogenate, activity expressed as pIC50" "CHEMBL" "=" "Rattus norvegicus" "diltiazem" 897 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 5.26 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "diltiazem" 897 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.35 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diltiazem" 897 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 7.8 "Ki" "Inhibitory constant against calcium channel receptors (CCRs)" "CHEMBL" "=" "Rattus norvegicus" "diltiazem" 897 "Potassium voltage-gated channel subfamily C member 1" "Ion channel" "P15388" "Kcnc1" "KCNC1_MOUSE" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "diltiazem" 897 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.2 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "diltiazem" 897 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "Q9JIS7" "Cacna1f" "CAC1F_MOUSE" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "dimemorfan" 900 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.82 "Ki" "Activity determined in rat brain membranes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10064839" "INHIBITOR" "Rattus norvegicus" "dimenhydrinate" 901 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.791 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.312 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.695 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.703 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.96 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.479 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.604 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.432 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200406" "ANTAGONIST" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.963 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.785 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.022 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.097 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.644 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.749 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.821 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimenhydrinate" 901 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.847 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dimetacrine" 902 "Apical membrane antigen 1" "Unclassified" "Q7KQK5" "AMA1" "Q7KQK5_PLAF7" 4.55 "IC50" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "dimetindene" 903 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.16 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dimetindene" 903 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.58 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dimetindene" 903 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.35 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dimetindene" 903 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.72 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dimetindene" 903 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.39 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dimetindene" 903 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.1 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "dimethyltubocurarinium" 908 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.745 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1259" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dimethyltubocurarinium" 908 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNB2|CHRNA2" "ACHB2_HUMAN|ACHA2_HUMAN" "WOMBAT-PK" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "dioxyline" 911 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 4.46 "IC50" "Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "dioxyline" 911 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 4.37 "IC50" "Inhibition of human MetAP1" "CHEMBL" "=" "Tchem" "Homo sapiens" "dinoprost" 912 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 6.66 "IC50" "In vitro binding at EP1 human prostaglandin receptor using [3H]PGE-2 as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "dinoprost" 912 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "dinoprost" 912 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.96 "IC50" "In vitro binding at EP3 human prostaglandin receptor using [3H]PGE-2 as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "dinoprost" 912 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 5.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dinoprost" 912 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dinoprost" 912 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.38 "IC50" "Affinity for Prostanoid EP4 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "dinoprost" 912 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 5.35 "IC50" "Affinity for human Prostaglandin D2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "dinoprost" 912 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 8.4 "Kd" "GRAC: human FP probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL815" "AGONIST" "Tclin" "Homo sapiens" "dinoprost" 912 "Prostaglandin F2-alpha receptor" "GPCR" "P37289" "PTGFR" "PF2R_BOVIN" 6.89 "Ki" "Binding affinity for Prostanoid FP receptor of bovine corpus luteum" "CHEMBL" "=" "Bos taurus" "dinoprost" 912 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 5.9 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "dinoprost" 912 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 7.12 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "dinoprost" 912 "Prostaglandin F2-alpha receptor" "GPCR" "P43117" "Ptgfr" "PF2R_MOUSE" 7.9 "EC50" "Agonist activity at FP receptor in mouse 3T3 fibroblast cells assessed as intracellular calcium mobilization by FLIPR" "CHEMBL" "=" "Mus musculus" "dinoprost" 912 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "dinoprost" 912 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P43114" "Ptger4" "PE2R4_RAT" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "dinoprost" 912 "Prostaglandin D2 receptor 2" "GPCR" "Q9Z2J6" "Ptgdr2" "PD2R2_MOUSE" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "dinoprost" 912 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P34980" "Ptger3" "PE2R3_RAT" 8.38 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "dinoprost" 912 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P70597" "Ptger1" "PE2R1_RAT" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "dinoprostone" 913 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 8.04 "Ki" "Displacement of [3H]PGE2 from human EP1 receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" "dinoprostone" 913 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 5.3 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "dinoprostone" 913 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 9.48 "Ki" "Displacement of [3H]PGE2 from human EP3 receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" "dinoprostone" 913 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 6.59 "IC50" "Agonist activity at prostanoid IP receptor (unknown origin) by functional assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dinoprostone" 913 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 4.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dinoprostone" 913 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8.77 "Ki" "Binding affinity to human prostanoid EP2 receptor by radioligand displacement assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" "dinoprostone" 913 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 9.77 "Ki" "Binding affinity to human prostanoid EP4 receptor by radioligand displacement assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL548" "AGONIST" "Tclin" "Homo sapiens" "dinoprostone" 913 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dinoprostone" 913 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dinoprostone" 913 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 8.22 "Ki" "Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "dinoprostone" 913 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 7.66 "Ki" "Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "dinoprostone" 913 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 8.3 "Ki" "Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "dinoprostone" 913 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P32240" "Ptger4" "PE2R4_MOUSE" 8.51 "Ki" "Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "dinoprostone" 913 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.47 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "dinoprostone" 913 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.74 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "dinoprostone" 913 "Prostaglandin F2-alpha receptor" "GPCR" "P43117" "Ptgfr" "PF2R_MOUSE" 7 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "dinoprostone" 913 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 8.28 "IC50" "Inhibition of rat EP2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "dinoprostone" 913 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P43114" "Ptger4" "PE2R4_RAT" 8.68 "IC50" "Inhibition of rat EP4 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "dinoprostone" 913 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "dinoprostone" 913 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "dinoprostone" 913 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "dinoprostone" 913 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 6.3 "EC50" "Patch clamp electrophysiology." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "dinoprostone" 913 "Prostaglandin D2 receptor 2" "GPCR" "Q9Z2J6" "Ptgdr2" "PD2R2_MOUSE" 5.5 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "dinoprostone" 913 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P34980" "Ptger3" "PE2R3_RAT" 9.39 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "dinoprostone" 913 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P70597" "Ptger1" "PE2R1_RAT" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "diphemanil" 915 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "Mechanism of Action; CHEMBL216; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201340" "ANTAGONIST" "Tclin" "Homo sapiens" "diphemanil" 915 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201340" "ANTAGONIST" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.59 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.018 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.432 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.148 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.29 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.81 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL657" "ANTAGONIST" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 4.37 "Ki" "Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "diphenhydramine" 916 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.921 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.64 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.951 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.585 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.932 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9 "IC50" "Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum" "CHEMBL" "=" "Cavia porcellus" "diphenhydramine" 916 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.678 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "diphenhydramine" 916 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.22 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "diphenhydramine" 916 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.42 "Kd" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9537821" "Tclin" "Homo sapiens" "diphenhydramine" 916 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.658 "Kd" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9537821" "Tclin" "Homo sapiens" "diphenoxylate" 918 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.167 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201294" "AGONIST" "Tclin" "Homo sapiens" "diphenoxylate" 918 "Potassium voltage-gated channel subfamily A member 3" "Ion channel" "P22001" "KCNA3" "KCNA3_HUMAN" 5.3 "IC50" "Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "diphenylpyraline" 920 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.076 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1492" "ANTAGONIST" "Tclin" "Homo sapiens" "diphenylpyraline" 920 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenylpyraline" 920 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.377 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diphenylpyraline" 920 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "diphenylpyraline" 920 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.38 "IC50" "Displacement of [125I]RTI-55 dopamine transporter binding in rat striatal membrane" "CHEMBL" "=" "Rattus norvegicus" "dipivefrine" 922 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201262" "AGONIST" "Tclin" "Homo sapiens" "dipivefrine" 922 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201262" "AGONIST" "Tclin" "Homo sapiens" "dipivefrine" 922 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201262" "AGONIST" "Tclin" "Homo sapiens" "diprafenone" 923 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "diprafenone" 923 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "diprafenone" 923 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dipyridamole" 924 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 7.538 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "INHIBITOR" "Tbio" "Homo sapiens" "dipyridamole" 924 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 6.28 "IC50" "Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 6.4 "Ki" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "Tchem" "Homo sapiens" "dipyridamole" 924 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 6 "Ki" "Inhibitory activity against phosphodiesterase 10" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.802 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "Equilibrative nucleoside transporter 1" "Transporter" "Q99808" "SLC29A1" "S29A1_HUMAN" 8.5 "Ki" "GRAC: human ENT1 selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B" "Enzyme" "O95263" "PDE8B" "PDE8B_HUMAN" 4.3 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 5.49 "IC50" "Inhibition of phosphodiesterase 2 (PDE2) from porcine platelets, range 2.54-4.14" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "cAMP-specific 3',5'-cyclic phosphodiesterase 7B" "Enzyme" "Q9NP56" "PDE7B" "PDE7B_HUMAN" 6 "IC50" "GRAC: human PDE7B selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A" "Enzyme" "O60658" "PDE8A" "PDE8A_HUMAN" 5.1 "IC50" "GRAC: human PDE8A selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin" "Homo sapiens" "dipyridamole" 924 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.158 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "dipyridamole" 924 "Cyclic nucleotide phosphodiesterase PDE3A" "Enzyme" "Q9XSW7" "Q9XSW7_PIG" 4.36 "IC50" "Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 31.8-60.7" "CHEMBL" "=" "Sus scrofa" "dipyridamole" 924 "Cyclic AMP-specific phosphodiesterase SSPDE4A1A" "Enzyme" "O77823" "PDE4A" "O77823_PIG" 5.28 "IC50" "Inhibition of phosphodiesterase 4 (PDE4) from porcine liver, range 0.058-7.78" "CHEMBL" "=" "Sus scrofa" "dipyridamole" 924 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 4.37 "IC50" "Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventricle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dipyridamole" 924 "Phosphodiesterase 7" "Enzyme" "Q13946|Q9NP56" "PDE7A|PDE7B" "PDE7A_HUMAN|PDE7B_HUMAN" 6.22 "Ki" "Inhibition of human phosphodiesterase 7" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dipyridamole" 924 "Phosphodiesterase 6" "Enzyme" "O43924|P16499|P18545|P35913|P51160|Q13956" "PDE6D|PDE6A|PDE6G|PDE6B|PDE6C|PDE6H" "PDE6D_HUMAN|PDE6A_HUMAN|CNRG_HUMAN|PDE6B_HUMAN|PDE6C_HUMAN|CNCG_HUMAN" 6.9 "Ki" "Inhibition of human phosphodiesterase 6" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dipyridamole" 924 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 4.35 "IC50" "Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of guinea pig ventricle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL932" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "dipyridamole" 924 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 5.9 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "dipyridamole" 924 "Protein prune homolog" "Enzyme" "Q86TP1" "PRUNE" "PRUNE_HUMAN" 6.11 "IC50" "Inhibition of human prune assessed as reduction of cAMP-phosphodiesterase activity" "CHEMBL" "=" "Tchem" "Homo sapiens" "dipyridamole" 924 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.05 "AC50" "Active" "CHEMBL" "=" "Human herpesvirus 8" "dipyridamole" 924 "Replicase polyprotein 1ab" "Enzyme" "P0DTD1" "REP" "R1AB_SARS2" 6.26 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1101/2020.03.23.004580" "INHIBITOR" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "disopyramide" 926 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL517" "BLOCKER" "Tclin" "Homo sapiens" "disopyramide" 926 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.036 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "disopyramide" 926 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.569 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "disopyramide" 926 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "disopyramide" 926 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "disopyramide" 926 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "disopyramide" 926 "G protein-activated inward rectifier potassium channel 4" "Ion channel" "P48544" "KCNJ5" "KCNJ5_HUMAN" 4.921 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "disopyramide" 926 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.09 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "disopyramide" 926 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 3.604 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "distigmine" 927 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01228" "INHIBITOR" "Tclin" "Homo sapiens" "disulfiram" 928 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.237 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "disulfiram" 928 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.846 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Translocator protein" "Transporter" "P30536" "TSPO" "TSPO_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "disulfiram" 928 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.967 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.115 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.735 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.156 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 4.658 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.129 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.833 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.434 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.434 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.697 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.957 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.612 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.398 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.862 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Aldehyde dehydrogenase, mitochondrial" "Enzyme" "P05091" "ALDH2" "ALDH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL964" "INHIBITOR" "Tclin" "Homo sapiens" "disulfiram" 928 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.319 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 4.738 "Ki" "DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "C-X-C chemokine receptor type 2" "GPCR" "P25025" "CXCR2" "CXCR2_HUMAN" 5.376 "Ki" "DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 6.02 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.821 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.794 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "disulfiram" 928 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.669 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "disulfiram" 928 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 5.357 "Ki" "DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "disulfiram" 928 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 4.333 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "disulfiram" 928 "Aldehyde dehydrogenase, mitochondrial" "Enzyme" "P11884" "Aldh2" "ALDH2_RAT" 4.4 "IC50" "Inhibition of recombinant rat ALDH activity in liver mitochondria" "CHEMBL" "=" "Rattus norvegicus" "disulfiram" 928 "Monoglyceride lipase" "Enzyme" "Q99685" "MGLL" "MGLL_HUMAN" 5.9 "IC50" "Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Bifunctional protein GlmU" "Enzyme" "P9WMN3" "glmU" "GLMU_MYCTU" 4.07 "IC50" "Active" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "disulfiram" 928 "Protein-lysine 6-oxidase" "Enzyme" "P28300" "LOX" "LYOX_HUMAN" 6.5 "IC50" "Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method" "CHEMBL" "=" "Tbio" "Homo sapiens" "disulfiram" 928 "Lysine-specific demethylase 5A" "Enzyme" "P29375" "KDM5A" "KDM5A_HUMAN" 5 "IC50" "Inhibition of JARID1A PHD finger domain (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Lysyl oxidase homolog 3" "Enzyme" "P58215" "LOXL3" "LOXL3_HUMAN" 7.03 "IC50" "Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method" "CHEMBL" "=" "Tbio" "Homo sapiens" "disulfiram" 928 "Lysyl oxidase homolog 4" "Enzyme" "Q96JB6" "LOXL4" "LOXL4_HUMAN" 7.23 "IC50" "Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method" "CHEMBL" "=" "Tbio" "Homo sapiens" "disulfiram" 928 "Histone-lysine N-methyltransferase EHMT2" "Enzyme" "Q96KQ7" "EHMT2" "EHMT2_HUMAN" 6.22 "IC50" "Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Histone-lysine N-methyltransferase EHMT1" "Enzyme" "Q9H9B1" "EHMT1" "EHMT1_HUMAN" 5.8 "IC50" "Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "disulfiram" 928 "Lysyl oxidase homolog 2" "Enzyme" "Q9Y4K0" "LOXL2" "LOXL2_HUMAN" 6.82 "IC50" "Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by fluorimetric method" "CHEMBL" "=" "Tbio" "Homo sapiens" "disulfiram" 928 "Gasdermin-D" "Unclassified" "P57764" "GSDMD" "GSDMD_HUMAN" 6.4 "IC50" "Inhibition of GSDMD in human monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+" "CHEMBL" "=" "Tbio" "Homo sapiens" "ditiocarb" 931 "Carbonic anhydrase 2, isoform A; LD26647p" "Enzyme" "Q9VTU8" "CAH2" "Q9VTU8_DROME" 6.18 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Drosophila melanogaster" "ditiocarb" 931 "Carbonic anhydrase 1; GH09688p" "Enzyme" "Q9V396" "CAH1" "Q9V396_DROME" 5.63 "Ki" "Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Drosophila melanogaster" "ditiocarb" 931 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.51 "Ki" "Inhibition of human recombinant carbonic anhydrase 2-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ditiocarb" 931 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.1 "Ki" "Inhibition of human recombinant carbonic anhydrase 1-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ditiocarb" 931 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.19 "Ki" "Inhibition of human recombinant carbonic anhydrase 4-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ditiocarb" 931 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.85 "Ki" "Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ditiocarb" 931 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.96 "Ki" "Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ditiocarb" 931 "Cytochrome P450 2E1" "Enzyme" "P05181" "CYP2E1" "CP2E1_HUMAN" 6.07 "IC50" "Fluorescent High Throughput P450 Assays: The interaction of SC12 with cytochrome P450 enzymes was tested using Fluorescent High Throughput P450 assays (Gentest) The IC50s of the compounds was calculated on isoenzymes (CYP1A2, CYP2C9, CYP2C19, CYP2C8, CYP2B6, CYP2D6, CYP2E1, CYP3A4 and CYP3A5).Materials and Methods: Inhibition of the P450 isoforms was measured in specific assays using specific substrates that become fluorescent upon CYP metabolism. Compounds, dissolved in ACN (acetonitrile) (CYP2E1, CYP2C8, CYP2B6, CYP3A5) or DMSO (all remaining isoforms), were tested in duplicate (n=2) in concentration-response curves (eight concentrations) in a 96-well plate containing incubation/NADPH regenerating buffer. Specific isoenzymes and substrates were added and incubated at 37° C. Reactions were terminated at different times, depending on the assays, and plates read on a Fluoroskan Ascent at the appropriate emission/excitation wavelengths." "CHEMBL" "=" "Tbio" "Homo sapiens" "ditiocarb" 931 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.25 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 13-catalyzed CO2 hydration by stopped flow assay" "CHEMBL" "=" "Mus musculus" "ditiocarb" 931 "Histone-lysine N-methyltransferase EHMT2" "Enzyme" "Q96KQ7" "EHMT2" "EHMT2_HUMAN" 5.04 "IC50" "Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ditiocarb" 931 "Histone-lysine N-methyltransferase EHMT1" "Enzyme" "Q9H9B1" "EHMT1" "EHMT1_HUMAN" 4.09 "IC50" "Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 PlysS using ARTKQTARKSTGGKA as substrate preincubated for 5 mins followed by substrate/SAM addition measured after 60 mins by MALDI-TOF MS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ditiocarb" 931 "Gasdermin-D" "Unclassified" "P57764" "GSDMD" "GSDMD_HUMAN" 6.4 "IC50" "Inhibition of GSDMD in human monocyte/macrophages assessed as inhibition of pyroptosis in presence of Cu2+" "CHEMBL" "=" "Tbio" "Homo sapiens" "levomenthol" 934 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.5 "EC50" "Calcium imaging, patch clamp" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "levomenthol" 934 "Transient receptor potential cation channel subfamily M member 8" "Ion channel" "Q8R4D5" "Trpm8" "TRPM8_MOUSE" 5.4 "EC50" "IUPHAR" "=" "ACTIVATOR" "Mus musculus" "levomenthol" 934 "Transient receptor potential cation channel subfamily M member 8" "Ion channel" "Q8R455" "Trpm8" "TRPM8_RAT" 4.2 "EC50" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" "levomenthol" 934 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 4.2 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "levomenthol" 934 "Transient receptor potential cation channel subfamily M member 8" "Ion channel" "Q7Z2W7" "TRPM8" "TRPM8_HUMAN" 4.6 "EC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15306801" "ACTIVATOR" "Tclin" "Homo sapiens" "dobutamine" 937 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "AGONIST" "Tclin" "Homo sapiens" "dobutamine" 937 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.2 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL926" "AGONIST" "Tclin" "Homo sapiens" "dobutamine" 937 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.976 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.997 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.42 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.868 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.771 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.91 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.32 "Ki" "Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.347 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.72 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.05 "Ki" "Inhibition of human carbonic anhydrase 4 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.01 "Ki" "Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.36 "Ki" "Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.256 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.14 "Ki" "Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.05 "Ki" "Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.37 "Ki" "Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.258 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.401 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 4.301 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.13 "Ki" "Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.02 "Ki" "Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.92 "Ki" "Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.38 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dobutamine" 937 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.223 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "dobutamine" 937 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.73 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "dobutamine" 937 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.796 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "dobutamine" 937 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.96 "IC50" "CHEMBL" "=" "Rattus norvegicus" "dobutamine" 937 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.02 "Ki" "Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dobutamine" 937 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.41 "Ki" "Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "docetaxel" 939 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "docetaxel" 939 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "docetaxel" 939 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "docetaxel" 939 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.086 "Kd" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "docetaxel" 939 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.283 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "docetaxel" 939 "Growth hormone-releasing hormone receptor" "GPCR" "Q02643" "GHRHR" "GHRHR_HUMAN" 9.85 "IC50" "Displacement of [125I]JV1-42 from GHRH receptor expressed in human MX1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "docetaxel" 939 "Tubulin beta" "Tumour-associated antigen" "P07437|Q9H4B7|Q13885|Q9BVA1|Q13509|P04350|P68371|Q9BUF5|Q3ZCM7" "TUBB|TUBB1|TUBB2A|TUBB2B|TUBB3|TUBB4A|TUBB4B|TUBB6|TUBB8" "TBB5_HUMAN|TBB1_HUMAN|TBB2A_HUMAN|TBB2B_HUMAN|TBB3_HUMAN|TBB4A_HUMAN|TBB4B_HUMAN|TBB6_HUMAN|TBB8_HUMAN" 6.699 "ID50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3545252" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "docetaxel" 939 "Nucleotide-binding oligomerization domain-containing protein 2" "Cytosolic other" "Q9HC29" "NOD2" "NOD2_HUMAN" 5.3 "IC50" "Inhibition of MDP-induced human NOD2 signaling expressed in HEK-Blue cells preincubated for 3 hrs followed by MDP-stimulation for 20 hrs by spectrophotometry based SEAP reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "docosanol" 940 "Envelope glycoprotein" "Membrane other" "O09800|P04288|P04488|P06477|P06480|P06484|P06487|P10185|P10211|P10228|P68331|Q69091" "gN|gM|gE|gH|gJ|gG|gI|gL|gB|gC|gK|gD" "GN_HHV11|GM_HHV11|GE_HHV11|GH_HHV11|GJ_HHV11|GG_HHV11|GI_HHV11|GL_HHV11|GB_HHV11|GC_HHV11|GK_HHV11|GD_HHV11" "Mechanism of Action; CHEMBL2364696; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200453" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "dofetilide" 942 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.19 "Ki" "Displacement of [3H]dofetilide from hERG expressed in HEK293 cells by SPA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473" "BLOCKER" "Tclin" "Homo sapiens" "dofetilide" 942 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dofetilide" 942 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 7.5 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "domperidone" 945 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.766 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.4 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=965" "ANTAGONIST" "Tclin" "Homo sapiens" "domperidone" 945 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.988 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.79 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "domperidone" 945 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.79 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.586 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.959 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.781 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.156 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.013 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.46 "Ki" "Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.807 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.523 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "domperidone" 945 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.833 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.097 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.936 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.276 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.553 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" "domperidone" 945 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 5.06 "Kd" "Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method" "CHEMBL" "=" "Tclin" "Homo sapiens" "domperidone" 945 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.06 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "domperidone" 945 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.55 "IC50" "CHEMBL" "=" "Rattus norvegicus" "domperidone" 945 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.28 "Ki" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "domperidone" 945 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.93 "Ki" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "domperidone" 945 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.1 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "domperidone" 945 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.64 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "domperidone" 945 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.83 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "donepezil" 946 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.84 "Ki" "Displacement of [3H]DTG from sigma 1 receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "donepezil" 946 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.7 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "donepezil" 946 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.46 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "donepezil" 946 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.046 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "donepezil" 946 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502" "INHIBITOR" "Tclin" "Homo sapiens" "donepezil" 946 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.82 "IC50" "Inhibition of human recombinant MAO-B using tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by fluorometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "donepezil" 946 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 4.9 "Ki" "Non competitive inhibition of human serum BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "donepezil" 946 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 6.46 "IC50" "Inhibition of histamine H3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "donepezil" 946 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 5.49 "IC50" "Inhibition of BACE1" "CHEMBL" "=" "Tchem" "Homo sapiens" "donepezil" 946 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 8.24 "IC50" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "Torpedo californica" "donepezil" 946 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 8.24 "IC50" "Inhibitory activity against acetylcholinesterase" "CHEMBL" "=" "Mus musculus" "donepezil" 946 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 5.56 "IC50" "Inhibition of BChE in rat serum after 15 mins by modified Ellman method" "CHEMBL" "=" "Rattus norvegicus" "donepezil" 946 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 8.77 "IC50" "In vitro inhibitory effect on rat Acetylcholinesterase" "CHEMBL" "=" "Rattus norvegicus" "donepezil" 946 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 7.25 "Ki" "Non competitive inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Electrophorus electricus" "donepezil" 946 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 8.54 "Ki" "Inhibition of fetal Bovine serum AChE" "CHEMBL" "=" "Bos taurus" "donepezil" 946 "Choline O-acetyltransferase" "Enzyme" "P32738" "Chat" "CLAT_RAT" 8.28 "IC50" "In vitro inhibitory activity against acetylcholinesterase" "CHEMBL" "=" "Rattus norvegicus" "donepezil" 946 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.82 "IC50" "Inhibition of rat liver mitochondrial MAO-B using [14C]-phenylethylamine after 30 mins by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "donepezil" 946 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 5.15 "IC50" "Inhibition of BuChE in mouse brain homogenate using butyrylthiocholine as substrate preincubated for 300 secs followed by substrate addition by Ellman's method" "CHEMBL" "=" "Mus musculus" "donepezil" 946 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 6.19 "Ki" "Inhibition of Equine Butyrylcholinesterase" "CHEMBL" "=" "Equus caballus" "donepezil" 946 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 7.84 "Ki" "Displacement of [3H]DTG from S1R in P2 fraction of Hartley guinea pig whole brain after 90 mins by liquid scintillation counting method" "CHEMBL" "=" "Cavia porcellus" "donepezil" 946 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.08 "IC50" "Inhibition of equine serum BuChE by Ellman's method" "CHEMBL" "=" "Equus caballus" "dopamine" 947 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL59" "AGONIST" "Tclin" "Homo sapiens" "dopamine" 947 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 4.19 "Kd" "Binding affinity to human adrenergic beta2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "dopamine" 947 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "dopamine" 947 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "dopamine" 947 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.18 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dopamine" 947 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.084 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "dopamine" 947 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "dopamine" 947 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" "dopamine" 947 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.19 "Ki" "Displacement of [125I]RT155 binding in HEK cells expressing human DAT" "CHEMBL" "=" "Tclin" "Homo sapiens" "dopamine" 947 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" "dopamine" 947 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.375 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dopamine" 947 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 5.15 "Ki" "Displacement of 2-[125I]iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "dopamine" 947 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 5.04 "Ki" "Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "dopamine" 947 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.35 "Ki" "Displacement of [3H]-spiperone from rat dopamine D2S receptor expressed in rat C6 cells after 45 mins by scintillation counting analysis" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.7 "IC50" "Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 8.15 "Ki" "Binding Affinity was tested on High Affinity Site of Bovine Dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390" "CHEMBL" "=" "Bos taurus" "dopamine" 947 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 5 "Ki" "Binding of [3H]dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 6.82 "Ki" "Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 8.74 "Ki" "Binding Affinity on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole was tested" "CHEMBL" "=" "Bos taurus" "dopamine" 947 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 4.3 "Ki" "Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Canis familiaris" "dopamine" 947 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.96 "Ki" "Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 8.62 "EC50" "In vitro effective concentration tested on HEK293 cells co-transfected with rat Dopamine receptor D4 using FLIPR assay" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.52 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "dopamine" 947 "Dopamine beta-hydroxylase" "Enzyme" "P09172" "DBH" "DOPO_HUMAN" 3 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "dopamine" 947 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 5.52 "IC50" "Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50%" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.24 "Ki" "Binding of [3H]clonidine to alpha-2-adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD2|DRD1" "DRD2_BOVIN|DRD1_BOVIN" 8.43 "IC50" "Tested for binding to dopamine receptor using [3H]- ADTN as radioligand in calf caudate nucleus homogenates." "CHEMBL" "=" "Bos taurus" "dopamine" 947 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 5.27 "IC50" "Tested for Dopamine receptor activity by the inhibition against spiroperidol binding to rat caudate tissue." "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 4.85 "Ki" "Binding of [3H]prazosin to alpha-1 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "Adenylate cyclase" "Enzyme" "D4A3N4|P21932|P26769|P26770|P40146|Q03343|Q04400|Q8CFM9" "Adcy1|Adcy3|Adcy2|Adcy4|Adcy8|Adcy6|Adcy5" "D4A3N4_RAT|ADCY3_RAT|ADCY2_RAT|ADCY4_RAT|ADCY8_RAT|ADCY6_RAT|ADCY5_RAT|Q8CFM9_RAT" 5.46 "EC50" "Tested for ability to stimulate dopamine sensitive adenylate cyclase in rat caudate homogenate" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 6.01 "Ki" "CHEMBL" "=" "Rattus norvegicus" "dopamine" 947 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.85 "AC50" "PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]" "CHEMBL" "=" "Tchem" "Homo sapiens" "dopamine" 947 "M18 aspartyl aminopeptidase" "Enzyme" "Q8I2J3" "Q8I2J3_PLAF7" 5.7 "IC50" "Active" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "dopexamine" 948 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dopexamine" 948 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 9.7 "Ki" "Inhibition of human recombinant carbonic anhydrase 2 by dansylamide (DNSA) competition assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL218490" "INHIBITOR" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.3 "Ki" "Inhibition of human cloned CA1 by CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.37 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.28 "Ki" "Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.46 "Ki" "Inhibitory activity against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.38 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.48 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.46 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 5.37 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "dorzolamide" 949 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.1 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 8 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.57 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.74 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "Mus musculus" "dorzolamide" 949 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.37 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes" "CHEMBL" "=" "Bos taurus" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.39 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.51 "Ki" "Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum" "CHEMBL" "=" "Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H)" "dorzolamide" 949 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.74 "Ki" "Inhibition of human carbonic anhydrase13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dorzolamide" 949 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.21 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.96 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8.05 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "dorzolamide" 949 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.86 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.18 "Ki" "Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" "dorzolamide" 949 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.74 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.95 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "dorzolamide" 949 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 5.08 "Ki" "Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "dorzolamide" 949 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.55 "Ki" "Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay" "CHEMBL" "=" "Astrosclera willeyana" "dorzolamide" 949 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.13 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "dorzolamide" 949 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 7.3 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "dorzolamide" 949 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 7 "Ki" "Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "dorzolamide" 949 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.56 "Ki" "CHEMBL" "=" "Anopheles gambiae" "dorzolamide" 949 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 8.15 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "dorzolamide" 949 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.1 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "dosulepin" 951 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.066 "Kd" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7549" "INHIBITOR" "Tclin" "Homo sapiens" "dosulepin" 951 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.337 "Kd" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7549" "INHIBITOR" "Tclin" "Homo sapiens" "dosulepin" 951 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.588 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.378 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.921 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.744 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.963 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.215 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.036 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dosulepin" 951 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.275 "Ki" "PDSP" "Tclin" "Homo sapiens" "doxapram" 953 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxapram" 953 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200876" "BLOCKER" "Tclin" "Homo sapiens" "doxapram" 953 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200876" "BLOCKER" "Tclin" "Homo sapiens" "doxazosin" 954 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.896 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "doxazosin" 954 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.724 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.14 "Ki" "Binding affinity against Alpha-2A adrenergic receptor, from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.23 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "doxazosin" 954 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.845 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.631 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.545 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "ANTAGONIST" "Tclin" "Homo sapiens" "doxazosin" 954 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.55 "Ki" "Binding affinity against Alpha-2C adrenergic receptor from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.827 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.85 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "ANTAGONIST" "Tclin" "Homo sapiens" "doxazosin" 954 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.1 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL707" "ANTAGONIST" "Tclin" "Homo sapiens" "doxazosin" 954 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 5.24 "IC50" "DRUGMATRIX: Peptidase, Matrix Metalloproteinase-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxazosin" 954 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 9.381 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "doxazosin" 954 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.81 "IC50" "CHEMBL" "=" "Rattus norvegicus" "doxazosin" 954 "HLA class I histocompatibility antigen, A-3 alpha chain" "Unclassified" "P04439" "HLA-A" "1A03_HUMAN" 4.8 "Kd" "Binding affinity to human biotinylated HLA-A2 by surface plasmon resonance assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "doxepin" 956 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.3 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.577 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.17 "Kd" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "doxepin" 956 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.53 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1628227" "INHIBITOR" "Tclin" "Homo sapiens" "doxepin" 956 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.538 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.45 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.98 "Ki" "Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells after 1.5 hrs by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxepin" 956 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "doxepin" 956 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.629 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.21 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.325 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.736 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.79 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "doxepin" 956 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.796 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.284 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.086 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.125 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.367 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxepin" 956 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.95 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxepin" 956 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.481 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "doxepin" 956 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 11 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "doxepin" 956 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.886 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "doxepin" 956 "Serotonin (5-HT) receptor" "GPCR" "P08909|P14842|P19327|P28564|P28565|P30940|P30994|P31388|P32305|P35364|P35365|P35563|Q62758|Q9JJ16" "Htr2c|Htr2a|Htr1a|Htr1b|Htr1d|Htr1f|Htr2b|Htr6|Htr7|Htr5a|Htr5b|Htr3a|Htr4|Htr3b" "5HT2C_RAT|5HT2A_RAT|5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT|5HT2B_RAT|5HT6R_RAT|5HT7R_RAT|5HT5A_RAT|5HT5B_RAT|5HT3A_RAT|5HT4R_RAT|5HT3B_RAT" 6.7 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "Rattus norvegicus" "doxepin" 956 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.75 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/022036lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "doxercalciferol" 957 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200810" "AGONIST" "Tclin" "Homo sapiens" "doxifluridine" 958 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "doxorubicin" 960 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.682 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "doxorubicin" 960 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.01 "IC50" "Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after 48 hrs by MTT assay (Rvb = 43.75 to 96.91 uM)" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxorubicin" 960 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.433 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxorubicin" 960 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "doxorubicin" 960 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 6 "IC50" "Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL53463" "INHIBITOR" "Tclin" "Homo sapiens" "doxorubicin" 960 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "doxorubicin" 960 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "doxorubicin" 960 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "doxorubicin" 960 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 4.914 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "doxorubicin" 960 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.496 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxorubicin" 960 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.288 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxorubicin" 960 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.605 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "doxorubicin" 960 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.96 "IC50" "Inhibitory concentration against Clostridium histolyticum Collagenase" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxorubicin" 960 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.7 "IC50" "Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis" "CHEMBL" "=" "Tclin" "Homo sapiens" "doxorubicin" 960 "Telomerase reverse transcriptase" "Enzyme" "O14746" "TERT" "TERT_HUMAN" 4.14 "IC50" "Inhibition of telomerase from human COLO201 cell" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxorubicin" 960 "DNA topoisomerase 2-beta" "Enzyme" "Q02880" "TOP2B" "TOP2B_HUMAN" 5.46 "IC50" "Inhibition of human topoisomerase-2B after 2 hrs by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxorubicin" 960 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 7.4 "IC50" "Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins by scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxorubicin" 960 "Ribonuclease pancreatic" "Enzyme" "P61823" "RNASE1" "RNAS1_BOVIN" 4.6 "IC50" "Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentration" "CHEMBL" "=" "Bos taurus" "doxorubicin" 960 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.867 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "doxorubicin" 960 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.805 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "doxorubicin" 960 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 6.05 "IC50" "Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing" "CHEMBL" "=" "Human immunodeficiency virus 1" "doxorubicin" 960 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4.28 "IC50" "Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay" "CHEMBL" "=" "Human immunodeficiency virus 1" "doxorubicin" 960 "Type-2 restriction enzyme HindIII" "Unclassified" "P43870" "hindIIIR" "T2D3_HAEIN" 4.02 "IC50" "Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentration" "CHEMBL" "=" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" "doxorubicin" 960 "Type-2 restriction enzyme ScaI" "Unclassified" "O52691" "scaIR" "T2S1_STRCS" 4.6 "IC50" "Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentration" "CHEMBL" "=" "Streptomyces caespitosus" "doxorubicin" 960 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.84 "AC50" "Active" "CHEMBL" "=" "Human herpesvirus 8" "doxorubicin" 960 "UDP-galactopyranose mutase" "Enzyme" "P9WIQ1" "glf" "GLF_MYCTU" 4.49 "AC50" "active" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "doxorubicin" 960 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 5.46 "Ki" "Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxycycline" 961 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" "doxycycline" 961 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 4.62 "IC50" "Inhibition of human MMP2" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxycycline" 961 "Stromelysin-1" "Enzyme" "P08254" "MMP3" "MMP3_HUMAN" 4.6 "IC50" "Inhibition of human MMP3" "CHEMBL" "=" "Tchem" "Homo sapiens" "doxycycline" 961 "Neutrophil collagenase" "Enzyme" "P22894" "MMP8" "MMP8_HUMAN" 4.6 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "doxycycline" 961 "Collagenase 3" "Enzyme" "P45452" "MMP13" "MMP13_HUMAN" 4.4 "IC50" "Inhibition of human MMP13" "CHEMBL" "=" "INHIBITOR" "Tclin" "Homo sapiens" "doxycycline" 961 "Tetracycline resistance protein, class B" "Transporter" "P02980" "tetA" "TCR2_ECOLX" 5.04 "IC50" "WOMBAT-PK" "=" "Escherichia coli" "doxycycline" 961 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.42 "EC50" "WOMBAT-PK" "=" "Caenorhabditis elegans" "doxycycline" 961 "Matrilysin" "Enzyme" "P09237" "MMP7" "MMP7_HUMAN" 4.14 "Kd" "IUPHAR" "=" "INHIBITOR" "Homo sapiens" "doxylamine" 962 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action; CHEMBL231; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1004" "ANTAGONIST" "Tclin" "Homo sapiens" "drostanolone propionate" 965 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201048" "AGONIST" "Tclin" "Homo sapiens" "droperidol" 966 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.199 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "droperidol" 966 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.263 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.602 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "ANTAGONIST" "Tclin" "Homo sapiens" "droperidol" 966 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.954 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.49 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "droperidol" 966 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.86 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.132 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1108" "ANTAGONIST" "Tclin" "Homo sapiens" "droperidol" 966 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.069 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.623 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.996 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.027 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.28 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.27 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.782 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.592 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.076 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "droperidol" 966 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.175 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "droperidol" 966 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.01 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "droperidol" 966 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.695 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "droperidol" 966 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.78 "IC50" "CHEMBL" "=" "Rattus norvegicus" "droperidol" 966 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.62 "IC50" "CHEMBL" "=" "Rattus norvegicus" "droperidol" 966 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.13 "IC50" "Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "drospirenone" 968 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 10.5 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1509" "ANTAGONIST" "Tclin" "Homo sapiens" "drospirenone" 968 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "drospirenone" 968 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 10.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1509" "AGONIST" "Tclin" "Homo sapiens" "drotaverine" 969 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "drotaverine" 969 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "droxidopa" 971 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.1 "Ki" "" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "droxidopa" 971 "Adrenergic receptor" "GPCR" "P07550|P08588|P08913|P13945|P18089|P18825|P25100|P35348|P35368" "ADRB2|ADRB1|ADRA2A|ADRB3|ADRA2B|ADRA2C|ADRA1D|ADRA1A|ADRA1B" "ADRB2_HUMAN|ADRB1_HUMAN|ADA2A_HUMAN|ADRB3_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN|ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" "Mechanism of Action; CHEMBL2331074; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103827" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "droxidopa" 971 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.1 "Ki" "" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "duloxetine" 972 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.62 "Ki" "Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after 3 hrs by Wallac counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "INHIBITOR" "Tclin" "Homo sapiens" "duloxetine" 972 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.22 "Ki" "Inhibition of human NET" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1175" "INHIBITOR" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.678 "Ki" "PDSP" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.646 "Ki" "PDSP" "Tclin" "Homo sapiens" "duloxetine" 972 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.638 "Ki" "PDSP" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.402 "Ki" "PDSP" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.523 "Ki" "PDSP" "Tclin" "Homo sapiens" "duloxetine" 972 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.62 "Ki" "Ability to inhibit the reuptake of dopamine at human dopamine transporter" "CHEMBL" "=" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.352 "Ki" "PDSP" "Tclin" "Homo sapiens" "duloxetine" 972 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.428 "Ki" "PDSP" "Tchem" "Homo sapiens" "duloxetine" 972 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 10.09 "Ki" "Displacement of [3H]-citalopram from Sprague-Dawley rat brain SERT after 1 hr" "CHEMBL" "=" "Rattus norvegicus" "duloxetine" 972 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.43 "IC50" "Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry" "CHEMBL" "=" "Rattus norvegicus" "duloxetine" 972 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 8.52 "Ki" "Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "duloxetine" 972 "Serine hydroxymethyltransferase, mitochondrial" "Enzyme" "P34897" "SHMT2" "GLYM_HUMAN" 5.16 "IC50" "Inhibition of His-tagged human recombinant SHMT2 expressed in Escherichia coli BLR(DE3) assessed as reduction in NADPH level using L-serine, THF and NADP+ incubated for 5 mins by SHMT2-MTHFD coupled reaction based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "dutasteride" 973 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.48 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "dutasteride" 973 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" 9.2 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200969" "INHIBITOR" "Tclin" "Homo sapiens" "dutasteride" 973 "3-oxo-5-alpha-steroid 4-dehydrogenase 1" "Enzyme" "P18405" "SRD5A1" "S5A1_HUMAN" 8.49 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200969" "INHIBITOR" "Tclin" "Homo sapiens" "dyclonine" 974 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.74 "IC50" "Inhibition of AChE (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dyclonine" 974 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200478" "BLOCKER" "Tclin" "Homo sapiens" "dydrogesterone" 975 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200853" "AGONIST" "Tclin" "Homo sapiens" "dydrogesterone" 975 "Nuclear receptor subfamily 2 group E member 1" "Nuclear hormone receptor" "Q9Y466" "NR2E1" "NR2E1_HUMAN" 4.561 "Kd" "orthogonal direct binding assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24936658" "Tbio" "Homo sapiens" "diprophylline" 976 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" "Mechanism of Action; CHEMBL241; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221190" "INHIBITOR" "Tclin" "Homo sapiens" "diprophylline" 976 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221190" "INHIBITOR" "Tclin" "Homo sapiens" "ebastine" 977 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.224 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.21 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Dopamine receptor D2" "CHEMBL" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.506 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.82 "IC50" "Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ebastine" 977 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.185 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.341 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.33 "IC50" "Compound is evaluated for in vitro receptor binding affinity against 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "ebastine" 977 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.588 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.701 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.905 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.991 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ebastine" 977 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.472 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.384 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.543 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.96 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1" "CHEMBL" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.554 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.863 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.937 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.615 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.719 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.397 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.106 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.743 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ebastine" 977 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.341 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ebastine" 977 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.06 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.126 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.253 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.091 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.976 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ebastine" 977 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.191 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ebastine" 977 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.633 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "ebastine" 977 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.849 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "ebastine" 977 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.871 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "ebastine" 977 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.58 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ebastine" 977 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.35 "IC50" "Compound is evaluated for in vitro receptor binding affinity against H1 receptor" "CHEMBL" "=" "Cavia porcellus" "ebastine" 977 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2905151" "ANTAGONIST" "Tclin" "Homo sapiens" "ebrotidine" 979 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8736619" "ANTAGONIST" "Tclin" "Homo sapiens" "echothiophate" 982 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action; CHEMBL220; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201341" "INHIBITOR" "Tclin" "Homo sapiens" "econazole" 983 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.131 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.543 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.636 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.336 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.37 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.086 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.79 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.052 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.301 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.648 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.617 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.034 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.939 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.362 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.202 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.296 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.572 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.792 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.805 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.197 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.936 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.421 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.529 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.336 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.178 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.398 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.006 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.736 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.485 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.359 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.463 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "Mechanism of Action; CHEMBL1780; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL808" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "econazole" 983 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.294 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.6 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "econazole" 983 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.864 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.699 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.523 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.489 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.189 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.49 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "Tclin" "Homo sapiens" "econazole" 983 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.398 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.916 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.857 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "econazole" 983 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.538 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 7.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "econazole" 983 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.155 "IC50" "DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.09 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "econazole" 983 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.697 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.171 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "econazole" 983 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.999 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "econazole" 983 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.431 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.503 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Neuropeptide Y receptor type 2" "GPCR" "P49146" "NPY2R" "NPY2R_HUMAN" 4.959 "Ki" "DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "econazole" 983 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.498 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "econazole" 983 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.875 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "econazole" 983 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.67 "IC50" "CHEMBL" "=" "Rattus norvegicus" "econazole" 983 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.79 "IC50" "CHEMBL" "=" "Rattus norvegicus" "econazole" 983 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.65 "IC50" "Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by modified Ellman assay" "CHEMBL" "=" "Electrophorus electricus" "econazole" 983 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 4.76 "IC50" "Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 2 mins by modified Ellman assay" "CHEMBL" "=" "Equus caballus" "econazole" 983 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 6.7 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP51" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "econazole" 983 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.12 "IC50" "Inhibition of mouse Ido2 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "Mus musculus" "econazole" 983 "Mycocyclosin synthase" "Enzyme" "P9WPP7" "cyp121" "CP121_MYCTU" 7.14 "Kd" "Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "econazole" 983 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.6 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "Tbio" "Homo sapiens" "econazole" 983 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.95 "IC50" "Inhibition of mouse Ido1 transfected in HEK293T cells using L-tryptophan as substrate assessed as kynurenine formation after 45 mins by spectrophotometric analysis" "CHEMBL" "=" "Mus musculus" "econazole" 983 "Calcium release-activated calcium channel protein 1" "Ion channel" "Q96D31" "ORAI1" "CRCM1_HUMAN" 4.77 "IC50" "Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOCE activity preincubated for 15 mins followed by BAPTA addition in presence of extracellular Ca2+ by PBX-based FLIPR assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "econazole" 983 "7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase" "Enzyme" "Q9UNU6" "CYP8B1" "CP8B1_HUMAN" 6.51 "IC50" "Inhibition of CYP8B1 in human liver microsomes using D7-7alpha-hydroxy-4-cholesten-3-one as substrate preincubated for 20 mins followed by substrate addition in presence of NADPH by UPLC-ESI-MS/MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "edatrexate" 986 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8.36 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D03942" "INHIBITOR" "Tclin" "Homo sapiens" "edatrexate" 986 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "edatrexate" 986 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 6 "Ki" "Binding affinity towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand" "CHEMBL" "=" "Mus musculus" "edatrexate" 986 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 8.42 "IC50" "Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver" "CHEMBL" "=" "Lactobacillus casei" "edetic acid" 987 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 4.85 "IC50" "Inhibition of ACE (unknown origin) using hippuryl-L-histidyl-L-leucine as substrate preincubated with substrate for 30 mins followed by enzyme addition measured after 30 mins by LC/MS analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "edetic acid" 987 "Ceramide glucosyltransferase" "Enzyme" "Q16739" "UGCG" "CEGT_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "edetic acid" 987 "Beta-lactamase" "Enzyme" "Q79MP6" "blaIMP-1" "Q79MP6_PSEAI" 4.55 "IC50" "Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate after 12 hrs by UV-spectrophotometric analysis" "CHEMBL" "=" "Pseudomonas aeruginosa" "edetic acid" 987 "Beta-lactamase VIM-1; Class B carbapenemase VIM-1; Metallo-beta-lactamase; Metallo-beta-lactamase VIM-1; Metallobeta-lactamase; VIM-1; VIM-1 metallo-beta lactamase; VIM-1 metallo-beta-lactamase; VIM-1" "Unclassified" "Q9XAY4" "blaVIM" "Q9XAY4_PSEAI" 5.03 "IC50" "Inhibition of Pseudomonas aeruginosa VIM-1 beta-lactamase after 10 mins" "CHEMBL" "=" "Pseudomonas aeruginosa" "edetic acid" 987 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "J3SE37" "J3SE37_CROAD" 4.13 "IC50" "Inhibition of Serpentes (snake) venom phosphodiesterase using bis(p-nitrophenyl)phosphate as substrate incubated for 30 min prior to substrate addition by spectrophotometric analysis" "CHEMBL" "=" "Crotalus adamanteus" "edetic acid" 987 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 5.11 "IC50" "Inhibition of amyloid beta aggregation (unknown origin) after 4 hrs by thioflavin S assay in presence of Zn2+" "CHEMBL" "=" "Homo sapiens" "edetic acid" 987 "Eyes absent homolog 2" "Enzyme" "O00167" "EYA2" "EYA2_HUMAN" 4.19 "IC50" "Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escherichia coli pre-incubated for 10 mins followed by OMFP substrate addition and further incubated for 30 mins by fluorescence based assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "edetic acid" 987 "Eyes absent homolog 2" "Enzyme" "O00167" "EYA2" "EYA2_HUMAN" 4.19 "IC50" "Inhibition of GST-fused human Eya2 ED (253 to 538 residues) expressed in Escherichia coli pre-incubated for 10 mins followed by OMFP substrate addition and further incubated for 30 mins by fluorescence based assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "edrophonium" 988 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 8.79 "Ki" "Inhibition constant determined against Acetylcholinesterase (AChE) receptor." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL60745" "INHIBITOR" "Tclin" "Homo sapiens" "edrophonium" 988 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 6.7 "Ki" "Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)" "CHEMBL" "=" "Bos taurus" "efavirenz" 989 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.76 "IC50" "Inhibition of CYP3A-mediated conversion of triazolam to 4-OH-triazolam in human liver microsomes." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "efavirenz" 989 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "efavirenz" 989 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 8.3 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" "efavirenz" 989 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 8.52 "Ki" "Binding affinity towards wild type HIV-1 reverse transcriptase (as per ref 10 in the article)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL223228" "INHIBITOR" "Human immunodeficiency virus 1" "efavirenz" 989 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 8.89 "IC50" "Inhibition of wild type Human immunodeficiency virus 1 reverse transcriptase after 30 min by fluorescence microplate reader analysis" "CHEMBL" "=" "Human immunodeficiency virus 1" "efavirenz" 989 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.76 "IC50" "Inhibition of CYP3A-mediated conversion of triazolam to 4-OH-triazolam in human liver microsomes." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "efavirenz" 989 "Reverse transcriptase protein" "Unclassified" "Q9WJQ2" "reverse transcriptase" "Q9WJQ2_9HIV1" 8.07 "Ki" "Inhibition of HIV1 reverse transcriptase K103N mutant by SPA assay" "CHEMBL" "=" "Human immunodeficiency virus 1" "eflornithine" 990 "Ornithine decarboxylase" "Enzyme" "P11926" "ODC1" "DCOR_HUMAN" 4.89 "Kd" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL830" "INHIBITOR" "Tclin" "Homo sapiens" "eflornithine" 990 "Ornithine decarboxylase" "Enzyme" "P09057" "Odc1" "DCOR_RAT" 4.41 "Ki" "The apparent dissociation constant for irreversible inhibition of rat liver ornithine decarboxylase (ODC)" "CHEMBL" "=" "Rattus norvegicus" "eflornithine" 990 "Ornithine decarboxylase" "Enzyme" "Q9TZZ6" "Q9TZZ6_TRYBG" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/3924048" "INHIBITOR" "Trypanosoma brucei gambiense" "efonidipine" 992 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O54898" "Cacna1g" "CAC1G_RAT" 7 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "efonidipine" 992 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 6.621 "IC50" "HEK-293 cells stably expressing hCav3.2 T-type Ca2+ channels" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21466810" "BLOCKER" "Tclin" "Homo sapiens" "efonidipine" 992 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17276408" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "eletriptan" 995 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "eletriptan" 995 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.52 "Kd" "GRAC: human 5-HT1B probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1510" "AGONIST" "Tclin" "Homo sapiens" "eletriptan" 995 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.05 "Kd" "GRAC: human 5-HT1D probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1510" "AGONIST" "Tclin" "Homo sapiens" "eletriptan" 995 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "eletriptan" 995 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.2 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "elliptinium" 996 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.4 "IC50" "Inhibitory concentration against c-Kit wild type expressed in recombinant baculovirus" "CHEMBL" "=" "Tclin" "Homo sapiens" "elliptinium" 996 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 6.15 "IC50" "Inhibitory activity against Platelet-derived growth factor receptor alpha" "CHEMBL" "=" "Tclin" "Homo sapiens" "elliptinium" 996 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.3 "IC50" "Inhibitory activity against Fibroblast growth factor receptor 3" "CHEMBL" "=" "Tclin" "Homo sapiens" "eltanolone" 997 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 7.301 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "eltanolone" 997 "GABA-A receptor; anion channel" "Ion channel" "O09028|P15431|P18506|P18508|P19969|P20236|P23574|P23576|P28471|P28473|P30191|P62813|P63079|P63138|Q91ZM7|Q9ES14" "Gabrp|Gabrb1|Gabrd|Gabrg2|Gabra5|Gabra3|Gabrg1|Gabra2|Gabra4|Gabrg3|Gabra6|Gabra1|Gabrb3|Gabrb2|Gabrq|Gabre" "GBRP_RAT|GBRB1_RAT|GBRD_RAT|GBRG2_RAT|GBRA5_RAT|GBRA3_RAT|GBRG1_RAT|GBRA2_RAT|GBRA4_RAT|GBRG3_RAT|GBRA6_RAT|GBRA1_RAT|GBRB3_RAT|GBRB2_RAT|Q91ZM7_RAT|GBRE_RAT" 7.36 "IC50" "Allosteric modulation of [35S]TBPS binding to Gamma-aminobutyric acid A receptor in rat brain cortical P2 membranes (inhibits binding with two components)" "CHEMBL" "=" "Rattus norvegicus" "emedastine" 999 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.886 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/20706slr011_emadine_lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/20706slr011_emadine_lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "emetine" 1001 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.854 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "emetine" 1001 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.585 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "emetine" 1001 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.578 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "emetine" 1001 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.97 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "emetine" 1001 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.19 "IC50" "CHEMBL" "=" "Rattus norvegicus" "emetine" 1001 "Putative hydrolase RBBP9" "Enzyme" "O75884" "RBBP9" "RBBP9_HUMAN" 5.11 "IC50" "Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "emtricitabine" 1003 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" "Mechanism of Action; CHEMBL247; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL885" "INHIBITOR" "Human immunodeficiency virus 1" "enalapril" 1005 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 4.3 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6322" "INHIBITOR" "Tclin" "Homo sapiens" "enalapril" 1005 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.1 "IC50" "CHEMBL" "=" "Oryctolagus cuniculus" "enalapril" 1005 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 6.85 "IC50" "CHEMBL" "=" "Rattus norvegicus" "enalaprilat" 1006 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 7.5 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6332" "INHIBITOR" "Tclin" "Homo sapiens" "enalaprilat" 1006 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.85 "Ki" "Inhibitory activity against rabbit lung angiotensin-1 converting enzyme" "CHEMBL" "=" "Oryctolagus cuniculus" "enalaprilat" 1006 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 9.02 "IC50" "Compound was tested for inhibitory activity against angiotensin I converting enzyme" "CHEMBL" "=" "Rattus norvegicus" "enalaprilat" 1006 "Angiotensin-converting enzyme 2" "Enzyme" "Q5EGZ1" "Ace2" "ACE2_RAT" 9.3 "Ki" "Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme." "CHEMBL" "=" "Rattus norvegicus" "enalaprilat" 1006 "Angiotensin-converting enzyme" "Enzyme" "P09470" "Ace" "ACE_MOUSE" 7.94 "IC50" "Inhibition of ob/ob mouse plasma ACE" "CHEMBL" "=" "Mus musculus" "encainide" 1007 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "encainide" 1007 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "encainide" 1007 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "encainide" 1007 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "encainide" 1007 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "endralazine" 1008 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "enflurane" 1009 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "POSITIVE MODULATOR" "Tclin" "Homo sapiens" "enflurane" 1009 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" "Mechanism of Action; CHEMBL2321615; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" "enflurane" 1009 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" "Mechanism of Action; CHEMBL2321613; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" "enflurane" 1009 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" "Mechanism of Action; CHEMBL2321614; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" "enflurane" 1009 "Potassium channel subfamily K member 10" "Ion channel" "P57789" "KCNK10" "KCNKA_HUMAN" "Mechanism of Action; CHEMBL2331041; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" "enflurane" 1009 "Potassium channel subfamily K member 18" "Ion channel" "Q7Z418" "KCNK18" "KCNKI_HUMAN" "Mechanism of Action; CHEMBL2331042; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1257" "OPENER" "Tclin" "Homo sapiens" "enfuvirtide" 1010 "Envelope glycoprotein" "Viral envelope protein" "Q53I07" "gp41" "Q53I07_9HIV1" "WOMBAT-PK" "Human immunodeficiency virus 1" "enfuvirtide" 1010 "Transmembrane glycoprotein gp41" "Membrane other" "O40239" "env" "O40239_9PLVG" "Mechanism of Action; CHEMBL2362987; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL525076" "INHIBITOR" "Human immunodeficiency virus" "enfuvirtide" 1010 "GP41" "Unclassified" "Q76270" "HIV1 ENV" "Q76270_9HIV1" 8 "EC50" "CHEMBL" "=" "Human immunodeficiency virus 1" "enoxacin" 1013 "DNA gyrase subunit A" "Enzyme" "P43700" "gyrA" "GYRA_HAEIN" "WOMBAT-PK" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" "enoxacin" 1013 "V-type proton ATPase subunit B, brain isoform" "Enzyme" "P21281" "ATP6V1B2" "VATB2_HUMAN" 5 "IC50" "Inhibition of maltose binding protein-fused human V-ATPase subunit B2 binding to F-actin" "CHEMBL" "=" "Tbio" "Homo sapiens" "enoxacin" 1013 "Topoisomerase IV" "Enzyme" "P48374|Q5EP76" "parC|topB" "PARC_NEIGO|Q5EP76_NEIGO" "Mechanism of Action; CHEMBL2363077; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL826" "INHIBITOR" "Neisseria gonorrhoeae" "enoxacin" 1013 "DNA gyrase" "Enzyme" "P22118|P48371" "gyrB|gyrA" "GYRB_NEIGO|GYRA_NEIGO" "Mechanism of Action; CHEMBL2311244; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL826" "INHIBITOR" "Neisseria gonorrhoeae" "enoximone" 1014 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 5.345 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "enoximone" 1014 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.54 "IC50" "Inhibition of canine heart Phosphodiesterase 4" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "enprofylline" 1015 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 4.49 "Ki" "Binding affinity to human adenosine A2A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "enprofylline" 1015 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.38 "Ki" "Displacement of [3H]CPX from human adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "enprofylline" 1015 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.33 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "enprofylline" 1015 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.03 "Ki" "Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "enprofylline" 1015 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "enprofylline" 1015 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.49 "Ki" "Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]N6-R-phenylisopropyladenosine (R-PIA) as radioligand" "CHEMBL" "=" "Rattus norvegicus" "enprofylline" 1015 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.49 "Ki" "Binding affinity to rat adenosine A2A receptor" "CHEMBL" "=" "Rattus norvegicus" "enprofylline" 1015 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.19 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "Rattus norvegicus" "enprofylline" 1015 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 4.22 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "Cavia porcellus" "enprofylline" 1015 "Adenosine A2a receptor" "GPCR" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.04 "Ki" "Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX" "CHEMBL" "=" "Cavia porcellus" "enprostil" 1016 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 7.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "enprostil" 1016 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 7.9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "enprostil" 1016 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "enprostil" 1016 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 7.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "enprostil" 1016 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 7.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "enprostil" 1016 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P34980" "Ptger3" "PE2R3_RAT" 7.13 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "enprostil" 1016 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P70597" "Ptger1" "PE2R1_RAT" 6.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "entacapone" 1018 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 7.89 "IC50" "Inhibition of Catechol O-methyltransferase activity in rat brain" "CHEMBL" "=" "Rattus norvegicus" "entacapone" 1018 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.25 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "entacapone" 1018 "Alpha-ketoglutarate-dependent dioxygenase FTO" "Unclassified" "Q9C0B1" "FTO" "FTO_HUMAN" 5.52 "IC50" "Inhibition of FTO (unknown origin) assessed as reduction in demethylation by measuring N6-mA and A level incubated for 2 hrs by HPLC-MS/MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "entacapone" 1018 "Alpha-ketoglutarate-dependent dioxygenase FTO" "Unclassified" "Q9C0B1" "FTO" "FTO_HUMAN" 5.52 "IC50" "Inhibition of FTO (unknown origin) assessed as reduction in demethylation by measuring N6-mA and A level incubated for 2 hrs by HPLC-MS/MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "entacapone" 1018 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 9.523 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/7703232" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL953" "INHIBITOR" "Tclin" "Homo sapiens" "entecavir" 1019 "Protein P" "Polyprotein" "P17394" "P" "DPOL_HBVB1" "WOMBAT-PK" "Hepatitis B virus genotype B1 subtype adw (isolate Japan/pJDW233/1988)" "entecavir" 1019 "Protein P" "Polyprotein" "Q9IF40" "P" "Q9IF40_HBV" "Mechanism of Action; CHEMBL2362994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL713" "INHIBITOR" "Hepatitis B virus" "entecavir" 1019 "Capsid protein" "Unclassified" "Q03732" "HBcAg" "Q03732_HBV" 9.62 "EC50" "Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by real time PCR analysis" "CHEMBL" "=" "Hepatitis B virus" "epalrestat" 1021 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P14550" "AKR1A1" "AK1A1_HUMAN" 5.59 "IC50" "Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction" "CHEMBL" "=" "Tchem" "Homo sapiens" "epalrestat" 1021 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 5.82 "IC50" "Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values" "CHEMBL" "=" "Sus scrofa" "epalrestat" 1021 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 8 "IC50" "Inhibition of crude aldose reductase of rat lens" "CHEMBL" "=" "Rattus norvegicus" "epalrestat" 1021 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 6.77 "IC50" "Inhibition of bovine lens aldose reductase assessed as inhibition of NDAPH oxidation by non-linear regression analysis" "CHEMBL" "=" "Bos taurus" "epalrestat" 1021 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 5.82 "IC50" "In vitro inhibitory activity against rat kidney aldehyde reductase(ALR)." "CHEMBL" "=" "Rattus norvegicus" "epalrestat" 1021 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 6.48 "IC50" "Inhibition of reductase activity of N-terminal 6His-tagged AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as inhibition of NADPH linked pyridine-3-aldehyde reduction" "CHEMBL" "=" "Tchem" "Homo sapiens" "epalrestat" 1021 "Sorbitol dehydrogenase" "Enzyme" "Q00796" "SORD" "DHSO_HUMAN" 4.17 "IC50" "Inhibition sorbitol dehydrogenase by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "epalrestat" 1021 "Cytochrome P450 4A11" "Enzyme" "Q02928" "CYP4A11" "CP4AB_HUMAN" 5.74 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "epalrestat" 1021 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 7.678 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/3025043" "INHIBITOR" "Tclin" "Homo sapiens" "eperisone" 1022 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.77 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "eperisone" 1022 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.859 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "eperisone" 1022 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.08 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "eperisone" 1022 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.31 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ephedrine" 1024 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.6 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=556" "AGONIST" "Tclin" "Homo sapiens" "epinastine" 1027 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "epinastine" 1027 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "epinastine" 1027 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "epinastine" 1027 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "epinastine" 1027 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "epinastine" 1027 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1106" "ANTAGONIST" "Tclin" "Homo sapiens" "epinastine" 1027 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "epinastine" 1027 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.8 "IC50" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "Cavia porcellus" "epinastine" 1027 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.37 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "epinastine" 1027 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.96 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "epinastine" 1027 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.53 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "epinephrine" 1028 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.401 "Ki" "PDSP" "Tclin" "Homo sapiens" "epinephrine" 1028 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.2 "Kd" "Binding affinity to human adrenergic beta2 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" "epinephrine" 1028 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.26 "Kd" "Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "epinephrine" 1028 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.04 "Ki" "Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "epinephrine" 1028 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.559 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" "epinephrine" 1028 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.434 "Ki" "PDSP" "Tclin" "Homo sapiens" "epinephrine" 1028 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.7 "Ki" "Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" "epinephrine" 1028 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.401 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" "epinephrine" 1028 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.449 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" "epinephrine" 1028 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.66 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" "epinephrine" 1028 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.5 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL679" "AGONIST" "Tclin" "Homo sapiens" "epinephrine" 1028 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.484 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "epinephrine" 1028 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.01 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "epinephrine" 1028 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.2 "IC50" "CHEMBL" "=" "Rattus norvegicus" "epinephrine" 1028 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 6.3 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "epinephrine" 1028 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 5.4 "Ki" "Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library" "CHEMBL" "=" "Rattus norvegicus" "epinephrine" 1028 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 5.96 "Ki" "Binding of [3H]dihydroalprenolol to beta-1 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "epinephrine" 1028 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 6.18 "Ki" "Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Canis familiaris" "epinephrine" 1028 "Beta-2 adrenergic receptor" "GPCR" "P10608" "Adrb2" "ADRB2_RAT" 6.14 "Ki" "Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes" "CHEMBL" "=" "Rattus norvegicus" "epinephrine" 1028 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 5.52 "Ki" "Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol" "CHEMBL" "=" "Cavia porcellus" "epinephrine" 1028 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.89 "Ki" "Binding of [3H]clonidine to alpha-2-adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "epinephrine" 1028 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb2|Adrb1|Adrb3" "ADRB2_RAT|ADRB1_RAT|ADRB3_RAT" 4.54 "IC50" "Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate" "CHEMBL" "=" "Rattus norvegicus" "epinephrine" 1028 "M18 aspartyl aminopeptidase" "Enzyme" "Q8I2J3" "Q8I2J3_PLAF7" 5.52 "IC50" "Active" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "epirubicin" 1030 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.878 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "epirubicin" 1030 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.286 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "epirubicin" 1030 "NS3" "Enzyme" "A3EZI9" "NS3" "A3EZI9_9HEPC" 6.12 "IC50" "Inhibitory concentration against hepatitis C virus helicase" "CHEMBL" "=" "Hepatitis C virus" "eplerenone" 1032 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.74 "IC50" "Antagonist activity at glucocorticoid receptor (unknown origin) by NH Pro assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "eplerenone" 1032 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095097" "ANTAGONIST" "Tclin" "Homo sapiens" "eplerenone" 1032 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 4.7 "Ki" "Binding affinity to recombinant human progesterone receptor LBD by fluormone PL red-fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "eplerenone" 1032 "Mineralocorticoid receptor" "Transcription factor" "P22199" "Nr3c2" "MCR_RAT" 7.4 "IC50" "Antagonist activity at gal4-fused rat mineralocorticoid receptor LBD in expressed in human U2OS cells by luciferase reporter gene assay" "CHEMBL" "=" "Rattus norvegicus" "eplerenone" 1032 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 4.7 "Ki" "Binding affinity to recombinant human progesterone receptor LBD by fluormone PL red-fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "eplerenone" 1032 "Progesterone receptor" "Nuclear other" "P06401" "PGR" "PRGR_HUMAN" 4.7 "Ki" "Binding affinity to recombinant human progesterone receptor LBD by fluormone PL red-fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "eplerenone" 1032 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P22199" "Nr3c2" "MCR_RAT" 7.4 "IC50" "Antagonist activity at gal4-fused rat mineralocorticoid receptor LBD in expressed in human U2OS cells by luciferase reporter gene assay" "CHEMBL" "=" "Rattus norvegicus" "epoprostenol" 1034 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 4.8 "Ki" "IUPHAR" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1139" "AGONIST" "Tclin" "Homo sapiens" "epoprostenol" 1034 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "epoprostenol" 1034 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.8 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1139" "AGONIST" "Tclin" "Homo sapiens" "epoprostenol" 1034 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "eprosartan" 1037 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 8.7 "IC50" "Tested for Angiotensin II receptor, type 1 affinity in the absence of bovine serum albumin (BSA)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL813" "ANTAGONIST" "Tclin" "Homo sapiens" "eprosartan" 1037 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 9 "IC50" "Tested for inhibition of [125I]- AII specific binding to rat mesenteric arteries, expressed as IC50" "CHEMBL" "=" "Rattus norvegicus" "eprosartan" 1037 "Type-2 angiotensin II receptor" "GPCR" "P35351" "Agtr2" "AGTR2_RAT" 9 "IC50" "In vitro inhibition of [125I]AII specific binding towards Angiotensin II receptor in rat mesenteric membranes." "CHEMBL" "=" "Rattus norvegicus" "eprosartan" 1037 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 9 "IC50" "Compound was tested for inhibition of 125 I-Angiotensin II specific binding to rat mesenteric arteries" "CHEMBL" "=" "Rattus norvegicus" "eprosartan" 1037 "Angiotensin II receptor" "GPCR" "P25095|P29089|P35351" "Agtr1|Agtr1b|Agtr2" "AGTRA_RAT|AGTRB_RAT|AGTR2_RAT" 9 "IC50" "Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesenteric arteries" "CHEMBL" "=" "Rattus norvegicus" "eptifibatide" 1040 "Integrin alpha-IIb/beta-3" "Adhesion" "P05106|P08514" "ITGB3|ITGA2B" "ITB3_HUMAN|ITA2B_HUMAN" 6.244 "IC50" "platelet aggregation inhibition in plasma anticoagulated PPACK" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/9315536" "http: