"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://www.accessdata.fda.gov/drugsatfda_docs/label/2013/020718s037lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ergometrine" 1042 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.53 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.201 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.333 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.58 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.959 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.824 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ergometrine" 1042 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.879 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.714 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.367 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.7 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ergometrine" 1042 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.889 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "ergometrine" 1042 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.09 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ergometrine" 1042 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.5 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "ergotamine" 1043 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.578 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "ergotamine" 1043 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.621 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.722 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.063 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.845 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.099 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "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" "ergotamine" 1043 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.354 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.6 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "ergotamine" 1043 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "AGONIST" "Tclin" "Homo sapiens" "ergotamine" 1043 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.754 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.836 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.77 "Ki" "PDSP" "Tchem" "Homo sapiens" "ergotamine" 1043 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.064 "Ki" "PDSP" "Tclin" "Homo sapiens" "ergotamine" 1043 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.04 "Ki" "PDSP" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.68 "Ki" "Displacement of [3H]carboxytryptamine from recombinant human 5-HT1B receptor expressed in HEK cells by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.1 "Ki" "Compound was evaluated for its binding affinity towards human 5-hydroxytryptamine 1D receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL442" "AGONIST" "Tclin" "Homo sapiens" "ergotamine" 1043 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.742 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.487 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 7.85 "Ki" "Displacement of [3H]LSD from 5-HT5A receptor after 1.5 hrs by scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "ergotamine" 1043 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.3 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "ergotamine" 1043 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.187 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.5 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ergotamine" 1043 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.514 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ergotamine" 1043 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.342 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "ergotamine" 1043 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 10.041 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "ergotamine" 1043 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.09 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ergotamine" 1043 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.11 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ergotamine" 1043 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "ergotamine" 1043 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "ergotamine" 1043 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "ergotamine" 1043 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 4.77 "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" "ergotamine" 1043 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.6 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "ergotamine" 1043 "Cholecystokinin A receptor" "GPCR" "O08786" "Cckar" "CCKAR_MOUSE" 4.47 "IC50" "Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radioligand to CCKA in mouse pancreatic membranes" "CHEMBL" "=" "Mus musculus" "ergotamine" 1043 "Adenylate cyclase" "Unclassified" "O32393" "cyaC" "O32393_ARTPT" 4.15 "IC50" "Inhibition of Spirulina platensis adenylyl cyclase assessed as cAMP level by cAMP immunogenic assay" "CHEMBL" "=" "Arthrospira platensis" "ergotamine" 1043 "5-hydroxytryptamine receptor 5A" "GPCR" "P35364" "Htr5a" "5HT5A_RAT" 8.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "ergotamine" 1043 "5-hydroxytryptamine receptor 5A" "GPCR" "P30966" "Htr5a" "5HT5A_MOUSE" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "ergotamine" 1043 "5-hydroxytryptamine receptor 1F" "GPCR" "P30940" "Htr1f" "5HT1F_RAT" 7.3 "IC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "eritoran" 1044 "Toll-like receptor 4" "Membrane receptor" "O00206" "TLR4" "TLR4_HUMAN" 8.82 "IC50" "Antagonist activity at TLR4 in human serum assessed as reduction in LPS-induced TNFalpha production after 3 hrs by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.15 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 5.85 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.24 "Kd" "Binding constant for ABL1(H396P)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 5.89 "Kd" "Binding constant for KIT(V559D,T670I) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.22 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1079742" "INHIBITOR" "Tclin" "Homo sapiens" "erlotinib" 1045 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.15 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.6 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.66 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 7.22 "IC50" "Inhibition of recombinant full-length GST-tagged human B-RAF V600E mutant (417 to 766 residues) expressed in Baculovirus infected Sf9 cells using N-terminal His-tagged human MEK1 as substrate by Nu-page gel-based phosphor screen analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.89 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.48 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.36 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.24 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 5.68 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.74 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.54 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.22 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 5.13 "IC50" "Inhibition of FAK (unknown origin) assembly preincubated with enzyme followed by GTP addition measured after 20 mins by spectrophotometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.74 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 6.64 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.37 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.43 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 5.19 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 6.01 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.02 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 6.03 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.92 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.96 "Kd" "Binding constant for MET(Y1235D) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.28 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.03 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.72 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 5.72 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.22 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 5.43 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 6.7 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 6.15 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.72 "Kd" "Average Binding Constant for FGFR2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.2 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.36 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.35 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.3 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.96 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.66 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.92 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.36 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.62 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 5.92 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.7 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.51 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 6.39 "Kd" "Average Binding Constant for RIPK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.96 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 5.85 "Kd" "Binding constant for EPHA7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.59 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.7 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 6.1 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.79 "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" "erlotinib" 1045 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.66 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase ULK3" "Kinase" "Q3U3Q1" "Ulk3" "ULK3_MOUSE" 6.2 "Kd" "Average Binding Constant for ULK3 m; NA=Not Active at 10 uM" "CHEMBL" "=" "Mus musculus" "erlotinib" 1045 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.4 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 5.41 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.2 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.62 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 6 "IC50" "Inhibition of chicken cSrc single mutant expressed in Escherichia coli" "CHEMBL" "=" "Gallus gallus" "erlotinib" 1045 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 5.46 "Kd" "Binding constant for full-length CSNK1D" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6.07 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.42 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 6.16 "Kd" "Binding constant for full-length MKNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 5.36 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 5.59 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.24 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.54 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Chaperone activity of bc1 complex-like, mitochondrial" "Kinase" "Q8NI60" "COQ8A" "COQ8A_HUMAN" 5.72 "Kd" "Binding constant for ADCK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase MRCK gamma" "Kinase" "Q6DT37" "CDC42BPG" "MRCKG_HUMAN" 5.47 "Kd" "Binding constant for DMPK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 6.05 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "erlotinib" 1045 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 5.85 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.72 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 6.01 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 6.17 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "AarF domain-containing protein kinase 4" "Kinase" "Q96D53" "COQ8B" "COQ8B_HUMAN" 5.6 "Kd" "Binding constant for full-length ADCK4" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 6.64 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Rattus norvegicus" "erlotinib" 1045 "Mitogen-activated protein kinase 4" "Kinase" "P31152" "MAPK4" "MK04_HUMAN" 5.6 "Kd" "Binding constant for ERK4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.89 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 5.15 "Kd" "Binding constant for RPS6KA4(Kin.Dom.2 - N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 5.89 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 5.51 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 5.89 "Kd" "Binding constant for DYRK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.77 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.14 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.02 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 5.6 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 5.64 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.08 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 6.04 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.6 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.31 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 5.96 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.92 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "erlotinib" 1045 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 6 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "erlotinib" 1045 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 7.02 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 5.54 "Kd" "Binding constant for LRRK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "erlotinib" 1045 "Solute carrier organic anion transporter family member 2B1" "Transporter" "O94956" "SLCO2B1" "SO2B1_HUMAN" 6.28 "Ki" "IUPHAR" "=" "INHIBITOR" "Homo sapiens" "erlotinib" 1045 "Serine/threonine-protein kinase B-raf" "Kinase" "P28028" "Braf" "BRAF_MOUSE" 7.4 "IC50" "Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human His6-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins by ELISA" "CHEMBL" "=" "Mus musculus" "ertapenem" 1046 "Penicillin-binding protein 2" "Enzyme" "Q9X6V3" "pbpA" "Q9X6V3_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" "ertapenem" 1046 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" "WOMBAT-PK" "Staphylococcus aureus" "ertapenem" 1046 "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" "ertapenem" 1046 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" "ertapenem" 1046 "D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6" "Enzyme" "Q7CHG0" "dacC" "Q7CHG0_YERPE" "WOMBAT-PK" "Yersinia pestis" "ertapenem" 1046 "D-alanyl-D-alanine carboxypeptidase DacB" "Enzyme" "P24228" "dacB" "DACB_ECOLI" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1359" "INHIBITOR" "Escherichia coli (strain K12)" "ertapenem" 1046 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1359" "INHIBITOR" "Escherichia coli (strain K12)" "ertapenem" 1046 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1359" "INHIBITOR" "Escherichia coli (strain K12)" "erythromycin" 1048 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.41 "IC50" "Inhibition of human ERG expressed in HEK cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "erythromycin" 1048 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4.824 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "erythromycin" 1048 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.39 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "erythromycin" 1048 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 4.43 "Ki" "In vitro binding affinity towards human motilin receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "erythromycin" 1048 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 4.4 "IC50" "Inhibition of CYP1B1 (unknown origin) expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 7-Ethoxyresorufin as substrate up to 6 mins in presence of NADP+ by spectrofluorometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "erythromycin propionate" 1052 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.39 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "erythromycin propionate" 1052 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.94 "IC50" "CHEMBL" "=" "Rattus norvegicus" "escitalopram" 1053 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.959 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1508" "INHIBITOR" "Tclin" "Homo sapiens" "escitalopram" 1053 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.186 "Ki" "PDSP" "Tclin" "Homo sapiens" "escitalopram" 1053 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.597 "Ki" "PDSP" "Tclin" "Homo sapiens" "escitalopram" 1053 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.412 "Ki" "PDSP" "Tclin" "Homo sapiens" "escitalopram" 1053 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.706 "Ki" "PDSP" "Tclin" "Homo sapiens" "escitalopram" 1053 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.906 "Ki" "PDSP" "Tclin" "Homo sapiens" "escitalopram" 1053 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 9.05 "Ki" "Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "escitalopram" 1053 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.09 "Ki" "Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "escitalopram" 1053 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 4.98 "Ki" "Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "esmolol" 1054 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7178" "ANTAGONIST" "Tclin" "Homo sapiens" "esmolol" 1054 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.2 "Kd" "Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation" "CHEMBL" "=" "Cavia porcellus" "esmolol" 1054 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 7 "Kd" "Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation" "CHEMBL" "=" "Cavia porcellus" "esomeprazole" 1055 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201320" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "estazolam" 1056 "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/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "estazolam" 1056 "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/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "estazolam" 1056 "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/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "estazolam" 1056 "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/CHEMBL285674" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "estradiol" 1057 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.243 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol" 1057 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.538 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "estradiol" 1057 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.725 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol" 1057 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.926 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol" 1057 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 10.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL135" "AGONIST" "Tclin" "Homo sapiens" "estradiol" 1057 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.72 "IC50" "Inhibitory activity against AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "estradiol" 1057 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" 5.6 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "estradiol" 1057 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 9.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "estradiol" 1057 "G-protein coupled estrogen receptor 1" "GPCR" "Q99527" "GPER1" "GPER1_HUMAN" 9.52 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "estradiol" 1057 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "estradiol" 1057 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" 4.08 "IC50" "Inhibition of steroid sulfatase activity of JEG-3 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "estradiol" 1057 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.83 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "estradiol" 1057 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "P11474" "ESRRA" "ERR1_HUMAN" 8.44 "IC50" "Inhibition of human ERalpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "estradiol" 1057 "Steroid hormone receptor ERR2" "Nuclear hormone receptor" "O95718" "ESRRB" "ERR2_HUMAN" 8.49 "IC50" "Inhibition of human ERbeta" "CHEMBL" "=" "Tchem" "Homo sapiens" "estradiol" 1057 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.39 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "estradiol" 1057 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.947 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "estradiol" 1057 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.372 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "estradiol" 1057 "Estrogen receptor" "Transcription factor" "P06211" "Esr1" "ESR1_RAT" 8.72 "IC50" "Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli" "CHEMBL" "=" "Rattus norvegicus" "estradiol" 1057 "Estrogen receptor beta" "Transcription factor" "Q62986" "Esr2" "ESR2_RAT" 8.77 "IC50" "Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escherichia coli" "CHEMBL" "=" "Rattus norvegicus" "estradiol" 1057 "Estrogen receptor beta" "Transcription factor" "O08537" "Esr2" "ESR2_MOUSE" 8.64 "IC50" "Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escherichia coli" "CHEMBL" "=" "Mus musculus" "estradiol" 1057 "Estrogen receptor" "Transcription factor" "P19785" "Esr1" "ESR1_MOUSE" 8.66 "IC50" "Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli" "CHEMBL" "=" "Mus musculus" "estradiol" 1057 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 5.72 "Ki" "Inhibition of human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate after 20 mins in presence of NADP by Dixon plot analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "estradiol" 1057 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 9.45 "IC50" "Inhibition of estradiol binding to estrogen receptor" "CHEMBL" "=" "Rattus norvegicus" "estradiol benzoate" 1058 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.71 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol benzoate" 1058 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.767 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol benzoate" 1058 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.133 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol benzoate" 1058 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.637 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol benzoate" 1058 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.446 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol benzoate" 1058 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.91 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "estradiol benzoate" 1058 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 7.745 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol benzoate" 1058 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 5.94 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "estradiol benzoate" 1058 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.638 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estradiol benzoate" 1058 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.156 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "estradiol benzoate" 1058 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.902 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "estradiol cypionate" 1059 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200973" "AGONIST" "Tclin" "Homo sapiens" "estradiol mustard" 1062 "Estrogen receptor" "Transcription factor" "P06211" "Esr1" "ESR1_RAT" 5.52 "Kd" "Displacement of radiolabeled estradiol from estradiol receptor in rat uterine cytosol" "CHEMBL" "=" "Rattus norvegicus" "estradiol valerate" 1064 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1511" "AGONIST" "Tclin" "Homo sapiens" "estramustine phosphate" 1066 "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/CHEMBL1200721" "MODULATOR" "Tclin" "Homo sapiens" "estramustine phosphate" 1066 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.2 "IC50" "Inhibition of recombinant PTP1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "estramustine phosphate" 1066 "Tyrosine-protein phosphatase non-receptor type 11" "Enzyme" "Q06124" "PTPN11" "PTN11_HUMAN" 5.08 "Kd" "Binding affinity to recombinant SHP2 by surface plasmon response" "CHEMBL" "=" "Tchem" "Homo sapiens" "estramustine phosphate" 1066 "Protein-tyrosine phosphatase 1C" "Enzyme" "P29350" "PTPN6" "PTN6_HUMAN" 4.39 "IC50" "Inhibition of recombinant SHP1" "CHEMBL" "=" "Tchem" "Homo sapiens" "estriol succinate" 1067 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.26 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "estriol succinate" 1067 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.75 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "CHEMBL" "=" "Tclin" "Homo sapiens" "estriol succinate" 1067 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.32 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "CHEMBL" "=" "Tclin" "Homo sapiens" "estriol succinate" 1067 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 9.9 "EC50" "Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells after 24 hrs by Steady-Glo luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "estriol succinate" 1067 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "estriol succinate" 1067 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.63 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "estriol succinate" 1067 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.06 "IC50" "CHEMBL" "=" "Oryctolagus cuniculus" "estriol succinate" 1067 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 4 "Kd" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "estriol succinate" 1067 "Olfactory receptor 51E2" "GPCR" "Q9H255" "OR51E2" "O51E2_HUMAN" 4.28 "EC50" "Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 7.3 "Ki" "Displacement of [3H]Ro15-1788 from benzodiazepine binding site of GABAA alpha-1-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 6.94 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-2-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 6.79 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-3-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "eszopiclone" 1068 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 6.99 "Ki" "Displacement of [3H]Ro-154513 from benzodiazepine binding site of GABAA alpha-4-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "eszopiclone" 1068 "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/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "eszopiclone" 1068 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "eszopiclone" 1068 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "eszopiclone" 1068 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "eszopiclone" 1068 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRG2|GABRA5|GABRB2" "GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "eszopiclone" 1068 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1522" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ethacrynic acid" 1071 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL456" "INHIBITOR" "Tclin" "Homo sapiens" "ethacrynic acid" 1071 "Glutathione S-transferase P" "Enzyme" "P09211" "GSTP1" "GSTP1_HUMAN" 5.47 "IC50" "Inhibition of GST P1-1 in human HL60 cell lysate" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethacrynic acid" 1071 "Glutathione S-transferase A1" "Enzyme" "P08263" "GSTA1" "GSTA1_HUMAN" 5.3 "IC50" "Inhibition of GST A1-1" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethacrynic acid" 1071 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.939 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "ethacrynic acid" 1071 "UDP-glucose 4-epimerase" "Enzyme" "Q14376" "GALE" "GALE_HUMAN" 4.85 "IC50" "Inhibition of human GalE by HPAEC assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethacrynic acid" 1071 "Glutathione S-transferase omega-1" "Unclassified" "P78417" "GSTO1" "GSTO1_HUMAN" 4.6 "IC50" "Inhibition of human GSTO1-1 by MMA (V) reductase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethambutol" 1073 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ethambutol" 1073 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.48 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ethambutol" 1073 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.15 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ethambutol" 1073 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.16 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ethambutol" 1073 "Probable arabinosyltransferase A" "Enzyme" "P9WNL8" "embA" "EMBA_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "ethambutol" 1073 "Probable arabinosyltransferase B" "Enzyme" "P9WNL6" "embB" "EMBB_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "ethambutol" 1073 "Probable arabinosyltransferase C" "Enzyme" "P9WNL5" "embC" "EMBC_MYCTU" "WOMBAT-PK" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "ethambutol" 1073 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 4.72 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ethambutol" 1073 "Probable arabinosyltransferase A" "Enzyme" "P9WNL9" "embA" "EMBA_MYCTU" "Mechanism of Action; CHEMBL1877; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44884" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "ethanol" 1076 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "ethanol" 1076 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "ethanol" 1076 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "ethanol" 1076 "GABA A receptor alpha-4/beta-2/delta" "Ion channel" "O14764|P47870|P48169" "GABRD|GABRB2|GABRA4" "GBRD_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ethchlorvynol" 1078 "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/CHEMBL591" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ethinylestradiol" 1082 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.877 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "ethinylestradiol" 1082 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" 5.52 "IC50" "Inverse agonist activity at GAL4 fused-human CAR-LBD transfected HEK293 cells after 24 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethinylestradiol" 1082 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 4.964 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 4.93 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.538 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.022 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.244 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "ethinylestradiol" 1082 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.11 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.353 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.73 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ethinylestradiol" 1082 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.985 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.83 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL691" "AGONIST" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.09 "IC50" "Binding affinity to ERbeta" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethinylestradiol" 1082 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.81 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethinylestradiol" 1082 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.09 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "ethinylestradiol" 1082 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.246 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "ethinylestradiol" 1082 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.857 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "ethinylestradiol" 1082 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.66 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethinylestradiol" 1082 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.68 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethinylestradiol" 1082 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.69 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethionamide" 1083 "Catalase-peroxidase" "Enzyme" "P9WIE4" "katG" "KATG_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "ethionamide" 1083 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1441" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "ethionamide" 1083 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.4 "IC50" "Inhibition of mushroom tyrosinase using L-tyrosine as substrate" "CHEMBL" "=" "Agaricus bisporus" "ethisterone" 1084 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.022 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethisterone" 1084 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.78 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethisterone" 1084 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.357 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "ethisterone" 1084 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.111 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "ethisterone" 1084 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.58 "IC50" "Inhibition of mushroom tyrosinase after 10 mins" "CHEMBL" "=" "Agaricus bisporus" "profenamine" 1086 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1206" "ANTAGONIST" "Tclin" "Homo sapiens" "profenamine" 1086 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "profenamine" 1086 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.61 "Ki" "Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot" "CHEMBL" "=" "Tclin" "Homo sapiens" "profenamine" 1086 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.7 "Ki" "Inhibitory activity against Equine Butyrylcholinesterase" "CHEMBL" "=" "Tclin" "Homo sapiens" "profenamine" 1086 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.69 "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" "profenamine" 1086 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.14 "Ki" "Displacement of [H]QNB binding in rat hindbrain brain homogenate." "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "profenamine" 1086 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.51 "Ki" "Displacement of [H]QNB binding in rat forebrain brain homogenate." "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "profenamine" 1086 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 7.7 "Ki" "Dissociation constant for inhibition of equine Butyrylcholinesterase (BuChE)" "CHEMBL" "=" "Equus caballus" "profenamine" 1086 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.14 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "Equus caballus" "ethosuximide" 1087 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL696" "BLOCKER" "Tclin" "Homo sapiens" "ethotoin" 1088 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A" "SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1095" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 9.31 "Ki" "In vitro binding to human erythrocyte carbonic anhydrase was determined by fluorescence competition assay employing the fluorescent CA inhibitor dansylamide" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.85 "Kd" "Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7.03 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.47 "Ki" "Inhibitory activity against human tumor-associated transmembrane carbonic anhydrase IX." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.66 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.6 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.72 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 9.15 "Kd" "Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.81 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "ethoxzolamide" 1089 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.3 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.48 "Kd" "Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 8.6 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.3 "Ki" "Inhibition of mouse full length carbonic anhydrase 13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "ethoxzolamide" 1089 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.89 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV from lung microsomes" "CHEMBL" "=" "Bos taurus" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.7 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 5.27 "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)" "ethoxzolamide" 1089 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.89 "Kd" "Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.24 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 7.01 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8.1 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.51 "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)" "ethoxzolamide" 1089 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.4 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.98 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "ethoxzolamide" 1089 "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" "ethoxzolamide" 1089 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.41 "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" "ethoxzolamide" 1089 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.99 "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)" "ethoxzolamide" 1089 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 7.07 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "ethoxzolamide" 1089 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 7.57 "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)" "ethoxzolamide" 1089 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 8.7 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ethoxzolamide" 1089 "Carbonic anhydrase 3" "Enzyme" "Q3SZX4" "CA3" "CAH3_BOVIN" 5.02 "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" "ethoxzolamide" 1089 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.73 "Ki" "CHEMBL" "=" "Anopheles gambiae" "ethoxzolamide" 1089 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 8.39 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "ethoxzolamide" 1089 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.03 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "ethyl biscoumacetate" 1091 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "ethylestrenol" 1094 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.367 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethylestrenol" 1094 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.682 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethylestrenol" 1094 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.983 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethylestrenol" 1094 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.495 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethylestrenol" 1094 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200623" "AGONIST" "Tclin" "Homo sapiens" "ethylestrenol" 1094 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.187 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ethylestrenol" 1094 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.889 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ethylestrenol" 1094 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.745 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "ethylestrenol" 1094 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.585 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "etynodiol" 1095 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "etynodiol" 1095 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201406" "AGONIST" "Tclin" "Homo sapiens" "etynodiol" 1095 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.368 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "etynodiol" 1095 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.685 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "etynodiol" 1095 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.678 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "etidocaine" 1097 "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/CHEMBL492" "BLOCKER" "Tclin" "Homo sapiens" "etidocaine" 1097 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL492" "BLOCKER" "Tclin" "Homo sapiens" "etidocaine" 1097 "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/CHEMBL492" "BLOCKER" "Tclin" "Homo sapiens" "etidocaine" 1097 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 4.41 "IC50" "Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "etidocaine" 1097 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "etidocaine" 1097 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 4.41 "IC50" "Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "etidronic acid" 1098 "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" "etilamfetamine" 1100 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.18 "Ki" "Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "etilefrine" 1101 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/4396765" "https://pubmed.ncbi.nlm.nih.gov/4396765" "AGONIST" "Tclin" "Homo sapiens" "etizolam" 1102 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 8.1 "EC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "etizolam" 1102 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "etizolam" 1102 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "etizolam" 1102 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "etodolac" 1103 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.7 "IC50" "Inhibition of COX2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL622" "INHIBITOR" "Tclin" "Homo sapiens" "etodolac" 1103 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.577 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "etofylline" 1107 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 4.76 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "etomidate" 1109 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 4.96 "EC50" "Activity at human GABAA alpha-1-beta-2-gamma-2s receptor expressed in HEK293 cells assessed as effect on GABA-induced current at 3 uM by whole cell patch-clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "etomidate" 1109 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 9.3 "IC50" "Inhibition of human CYP11B1 expressed in chinese hamster V79 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "etomidate" 1109 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 10 "IC50" "Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "etomidate" 1109 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 4.3 "IC50" "Inhibition of recombinant embryonic mouse muscle Nicotinic Acetylcholine Receptor (3 oocytes)" "CHEMBL" "=" "Torpedo californica" "etomidate" 1109 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 5.456 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL681" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "etomidate" 1109 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRG2|GABRA2|GABRB2" "GBRG2_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN" 5.46 "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" "etonogestrel" 1110 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "etonogestrel" 1110 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1531" "AGONIST" "Tclin" "Homo sapiens" "etonogestrel" 1110 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.23 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "etoperidone" 1111 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.638 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "etoperidone" 1111 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.051 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "etoperidone" 1111 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.071 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "etoperidone" 1111 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.509 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "etoposide" 1112 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.282 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "etoposide" 1112 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 3.21 "Km" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "etoposide" 1112 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "etoposide" 1112 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 7.3 "IC50" "Note: enzyme subunit is not specified in the referenced article" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL44657" "INHIBITOR" "Tclin" "Homo sapiens" "etoposide" 1112 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "etoposide" 1112 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "etoposide" 1112 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "etoposide" 1112 "Canalicular multispecific organic anion transporter 2" "Transporter" "O15438" "ABCC3" "MRP3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "etoposide" 1112 "DNA topoisomerase 2-beta" "Enzyme" "Q02880" "TOP2B" "TOP2B_HUMAN" 7.16 "IC50" "Inhibition of human DNA topoisomerase 2beta after 2 hrs by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "etoposide" 1112 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.497 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "etoricoxib" 1113 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.1 "IC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2896" "INHIBITOR" "Tclin" "Homo sapiens" "etoricoxib" 1113 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.92 "IC50" "Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE-2 produced by microsomes from U937 cells at subsaturating arachidonic acid conc." "CHEMBL" "=" "Tclin" "Homo sapiens" "etoricoxib" 1113 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.102 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "etoricoxib" 1113 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.28 "IC50" "Inhibitory concentration against p38 alpha MAP kinase calculated by CoMFA model; FlexX score = -18.6kcal/mol " "CHEMBL" "=" "Tchem" "Homo sapiens" "etoricoxib" 1113 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.64 "IC50" "Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA" "CHEMBL" "=" "Ovis aries" "etoricoxib" 1113 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.64 "IC50" "Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition and measured after 2 mins by ELISA" "CHEMBL" "=" "Ovis aries" "etravirine" 1115 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.12 "IC50" "Inhibition of MDR1 expressed in MDCK2 cells assessed as inhibition of cell proliferation by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "Tchem" "Homo sapiens" "etravirine" 1115 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 5.11 "IC50" "Inhibition of MRP2 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "Tbio" "Homo sapiens" "etravirine" 1115 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.07 "IC50" "Inhibition of MRP1 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "Tchem" "Homo sapiens" "etravirine" 1115 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.22 "IC50" "Inhibition of BCRP expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "Tchem" "Homo sapiens" "etravirine" 1115 "Canalicular multispecific organic anion transporter 2" "Transporter" "O15438" "ABCC3" "MRP3_HUMAN" 5.29 "IC50" "Inhibition of MRP3 expressed in MDCK2 cells assessed as cell growth inhibition by calcein and pheophorbide A efflux assays" "CHEMBL" "=" "Tbio" "Homo sapiens" "etravirine" 1115 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 9 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" "etravirine" 1115 "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/CHEMBL308954" "INHIBITOR" "Human immunodeficiency virus 1" "etravirine" 1115 "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" "etravirine" 1115 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 8 "IC50" "CHEMBL" "=" "Human immunodeficiency virus 1" "etravirine" 1115 "Reverse transcriptase protein" "Unclassified" "Q9WJQ2" "reverse transcriptase" "Q9WJQ2_9HIV1" 8.89 "IC50" "Inhibition of HIV1 isolate R8 reverse transcriptase K103N mutant after 90 mins by electrochemiluminescence analysis" "CHEMBL" "=" "Human immunodeficiency virus 1" "etretinate" 1116 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464" "AGONIST" "Tclin" "Homo sapiens" "etretinate" 1116 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL464" "AGONIST" "Tclin" "Homo sapiens" "etryptamine" 1117 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.63 "EC50" "CHEMBL" "=" "Rattus norvegicus" "etryptamine" 1117 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.63 "EC50" "CHEMBL" "=" "Rattus norvegicus" "etryptamine" 1117 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.19 "EC50" "CHEMBL" "=" "Rattus norvegicus" "everolimus" 1118 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "everolimus" 1118 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 8.26 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1908360" "INHIBITOR" "Tclin" "Homo sapiens" "everolimus" 1118 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 8.7 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "exemestane" 1122 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "exemestane" 1122 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 5.692 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200374" "INHIBITOR" "Tclin" "Homo sapiens" "exenatide" 1123 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 9.18 "IC50" "Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL414357" "AGONIST" "Tclin" "Homo sapiens" "exenatide" 1123 "Glucagon-like peptide 1 receptor" "GPCR" "P32301" "Glp1r" "GLP1R_RAT" 9.85 "IC50" "Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 hrs by gamma counting" "CHEMBL" "=" "Rattus norvegicus" "ezetimibe" 1125 "Niemann-Pick C1-like protein 1" "Membrane other" "Q9UHC9" "NPC1L1" "NPCL1_HUMAN" 6.66 "Kd" "Measure of ezetimibe glucuronide binding to NPC1L1" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1138" "ANTAGONIST" "Tclin" "Homo sapiens" "ezetimibe" 1125 "Niemann-Pick C1-like protein 1" "Unclassified" "Q6T3U3" "Npc1l1" "NPCL1_RAT" 6.7 "Ki" "Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane" "CHEMBL" "=" "Rattus norvegicus" "fadrozole" 1126 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 8.2 "IC50" "Inhibition of human CYP11B1 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method" "CHEMBL" "=" "INHIBITOR" "Tclin" "Homo sapiens" "fadrozole" 1126 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 9.1 "IC50" "Inhibition of human CYP11B2 expressed in V79MZh cells using [14C]-11-deoxycorticosterone as substrate by HPTLC/phosphoimaging method" "CHEMBL" "=" "INHIBITOR" "Tchem" "Homo sapiens" "fadrozole" 1126 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P15539" "Cyp11b2" "C11B2_MOUSE" 6.72 "IC50" "CHEMBL" "=" "Mus musculus" "fadrozole" 1126 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 10.3 "Ki" "Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michaelis-Menten and Dixon plot analysis" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2521224" "INHIBITOR" "Tclin" "Homo sapiens" "famciclovir" 1128 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL880" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "famciclovir" 1128 "DNA polymerase catalytic subunit" "Enzyme" "P09252" "DPOL_VZVD" "WOMBAT-PK" "Varicella-zoster virus (strain Dumas)" "famotidine" 1129 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.93 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL902" "ANTAGONIST" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.24 "Ki" "Inhibition of recombinant human CA2 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.04 "Ki" "Inhibition of recombinant human CA1 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.03 "Ki" "Inhibition of recombinant human CA4 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.9 "Ki" "Inhibition of recombinant human CA9 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.34 "Ki" "Inhibition of recombinant human CA12 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.84 "Ki" "Inhibition of recombinant human CA5a preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.27 "Ki" "Inhibition of recombinant human CA5b preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.52 "Ki" "Inhibition of recombinant human CA7 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.01 "Ki" "Inhibition of recombinant human CA6 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.17 "Ki" "Inhibition of recombinant human CA14 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Histamine H2 receptor" "GPCR" "P47747" "HRH2" "HRH2_CAVPO" 7 "Kd" "In vitro inhibitory activity against histamine H2-receptor in isolated Guinea pig right atria." "CHEMBL" "=" "Cavia porcellus" "famotidine" 1129 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 6.77 "Ki" "Inhibition of recombinant human CA13 preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red based stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "famotidine" 1129 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.44 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "famotidine" 1129 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.12 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "famotidine" 1129 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.44 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "famotidine" 1129 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 5.304 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "famotidine" 1129 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.97 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "famprofazone" 1130 "Nuclear receptor subfamily 2 group E member 1" "Nuclear hormone receptor" "Q9Y466" "NR2E1" "NR2E1_HUMAN" 5.18 "Kd" "orthogonal direct binding assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24936658" "Tbio" "Homo sapiens" "fasudil" 1132 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.6 "Ki" "Displacement of [3H]dofetilide from human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "fasudil" 1132 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 4.44 "Ki" "Inhibition of MLCK by HTRF assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "fasudil" 1132 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 5.52 "IC50" "Inhibition of PKCepsilon" "CHEMBL" "=" "Tchem" "Homo sapiens" "fasudil" 1132 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 5.77 "IC50" "Inhibition of Protein kinase C related kinase 1 (PRK1)" "CHEMBL" "=" "Tchem" "Homo sapiens" "fasudil" 1132 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 5.3 "IC50" "Inhibition of His-tagged human MSK1 expressed in Sf9 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "fasudil" 1132 "C-C motif chemokine 2" "Cytokine" "P13500" "CCL2" "CCL2_HUMAN" 5.16 "IC50" "Inhibition of MCP1-mediated human THP cell migration" "CHEMBL" "=" "Tchem" "Homo sapiens" "fasudil" 1132 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 6.11 "IC50" "Inhibition of PKN2" "CHEMBL" "=" "Tchem" "Homo sapiens" "fasudil" 1132 "cAMP-dependent protein kinase catalytic subunit alpha" "Kinase" "P17612" "PRKACA" "KAPCA_HUMAN" 5.81 "AC50" "PUBCHEM_BIOASSAY: Protein Kinase A Activity Assay Measured in Biochemical System Using Plate Reader - 2052-04_Inhibitor_Dose_DryPowder_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2689]" "CHEMBL" "=" "Tchem" "Homo sapiens" "fasudil" 1132 "Rho-associated protein kinase 2" "Kinase" "Q62868" "Rock2" "ROCK2_RAT" 5.72 "IC50" "Inhibition of rat ROCK2 expressed in Sf9 cells" "CHEMBL" "=" "Rattus norvegicus" "fasudil" 1132 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 7 "Ki" "Inhibition of ROCK-1" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10644512" "INHIBITOR" "Tclin" "Homo sapiens" "fasudil" 1132 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 7.11 "Kd" "Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10644512" "INHIBITOR" "Tclin" "Homo sapiens" "febuxostat" 1137 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.44 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "febuxostat" 1137 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 9.22 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1164729" "INHIBITOR" "Tclin" "Homo sapiens" "febuxostat" 1137 "Xanthine dehydrogenase/oxidase" "Enzyme" "P80457" "XDH" "XDH_BOVIN" 8.52 "IC50" "Inhibition of bovine xanthine oxidase by spectrophotometry" "CHEMBL" "=" "Bos taurus" "febuxostat" 1137 "Xanthine dehydrogenase/oxidase" "Enzyme" "P22985" "Xdh" "XDH_RAT" 8.4 "IC50" "Inhibition of rat xanthine oxidase" "CHEMBL" "=" "Rattus norvegicus" "felbamate" 1140 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094" "ANTAGONIST" "Tclin" "Homo sapiens" "felbamate" 1140 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" 4.284 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094" "ANTAGONIST" "Tclin" "Homo sapiens" "felbinac" 1141 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01675" "INHIBITOR" "Tclin" "Homo sapiens" "felbinac" 1141 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.049 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01675" "INHIBITOR" "Tclin" "Homo sapiens" "felodipine" 1142 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.523 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "felodipine" 1142 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.224 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "felodipine" 1142 "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/CHEMBL1480" "BLOCKER" "Tclin" "Homo sapiens" "felodipine" 1142 "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/CHEMBL1480" "BLOCKER" "Tclin" "Homo sapiens" "felodipine" 1142 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.339 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "felodipine" 1142 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.168 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "felodipine" 1142 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.3 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "felodipine" 1142 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 8.4 "Ki" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "felodipine" 1142 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.43 "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" "fenbufen" 1145 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.41 "IC50" "Inhibition of ovine COX1 by enzyme-immuno assay" "CHEMBL" "=" "Ovis aries" "fenbufen" 1145 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.09 "IC50" "Inhibition of ovine COX2 by enzyme-immuno assay" "CHEMBL" "=" "Ovis aries" "fenbufen" 1145 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6356910" "INHIBITOR" "Tclin" "Homo sapiens" "fenbufen" 1145 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6356910" "INHIBITOR" "Tclin" "Homo sapiens" "fendiline" 1148 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.49 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "fendiline" 1148 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 6 "EC50" "Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "fendiline" 1148 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.04 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "Aliivibrio fischeri" "fendiline" 1148 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 6.3 "Kd" "Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+" "CHEMBL" "=" "Bos taurus" "fendiline" 1148 "Extracellular calcium-sensing receptor" "GPCR" "P35384" "CASR" "CASR_BOVIN" 4.921 "EC50" "increase in intracellular Ca2+ in bovine parathyroid cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/9520489" "POSITIVE ALLOSTERIC MODULATOR" "Bos taurus" "fenfluramine" 1150 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.004 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.111 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.428 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.176 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.172 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.845 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.398 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.79 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.042 "Ki" "PDSP" "Tchem" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.378 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.57 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.717 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.016 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.726 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.489 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.167 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.736 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.195 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.735 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.848 "Ki" "PDSP" "Tclin" "Homo sapiens" "fenfluramine" 1150 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.97 "EC50" "Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "fenofibrate" 1152 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.673 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.218 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.906 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 4.331 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.032 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.164 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.492 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "fenofibrate" 1152 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.808 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6 "IC50" "Inhibition of human PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL672" "AGONIST" "Tclin" "Homo sapiens" "fenofibrate" 1152 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.24 "EC50" "In vitro activation of human peroxisome proliferator activated receptor gamma (PPAR gamma)" "CHEMBL" "=" "Tclin" "Homo sapiens" "fenofibrate" 1152 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 7.74 "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" "fenofibrate" 1152 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.21 "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" "fenoldopam" 1153 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.55 "Kd" "Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1026" "AGONIST" "Tclin" "Homo sapiens" "fenoldopam" 1153 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.09 "Ki" "Affinity towards Dopamine receptor D2" "CHEMBL" "=" "Tclin" "Homo sapiens" "fenoldopam" 1153 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.96 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "fenoldopam" 1153 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.5 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "fenoldopam" 1153 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.89 "Kd" "In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes." "CHEMBL" "=" "Rattus norvegicus" "fenoldopam" 1153 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 8.52 "Ki" "Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membranes" "CHEMBL" "=" "Rattus norvegicus" "fenoldopam" 1153 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 6.1 "Ki" "Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine receptor D2" "CHEMBL" "=" "Bos taurus" "fenoldopam" 1153 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.72 "Ki" "Non-competitive inhibition of JMJD2E relative to alpha-ketoglutarate" "CHEMBL" "=" "Tchem" "Homo sapiens" "fenoldopam" 1153 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1D|ADRA1A|ADRA1B" "ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" 5.3 "Kd" "Activity at alpha-1 adrenergic receptor in rabbit aorta rings" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "fenoldopam" 1153 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 7.45 "Ki" "CHEMBL" "=" "Rattus norvegicus" "fenoldopam" 1153 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.86 "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" "fenoprofen" 1154 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.23 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1297" "INHIBITOR" "Tclin" "Homo sapiens" "fenoprofen" 1154 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.36 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1297" "INHIBITOR" "Tclin" "Homo sapiens" "fenoprofen" 1154 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 4.58 "IC50" "Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay" "CHEMBL" "=" "Ovis aries" "fenoprofen" 1154 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.01 "IC50" "Evaluated for the inhibition of Prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 20 mg/kg (p.o.)" "CHEMBL" "=" "Bos taurus" "fenoprofen" 1154 "Sodium-coupled monocarboxylate transporter 1" "Transporter" "Q8N695" "SLC5A8" "SC5A8_HUMAN" 4.57 "IC50" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "fenoterol" 1155 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.9 "EC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=557" "AGONIST" "Tclin" "Homo sapiens" "fenoterol" 1155 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.22 "IC50" "In vitro inhibitory concentration Beta-2 adrenergic receptor in Guinea pig trachea" "CHEMBL" "=" "Cavia porcellus" "fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.001 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL596" "AGONIST" "Tclin" "Homo sapiens" "fentanyl" 1164 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.45 "IC50" "Displacement of [3H]PPP from sigma1 receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "fentanyl" 1164 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.74 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "fentanyl" 1164 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.71 "Ki" "Binding affinity against Opioid receptor kappa 1" "CHEMBL" "=" "Tclin" "Homo sapiens" "fentanyl" 1164 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.17 "Ki" "Binding affinity against Opioid receptor delta 1 in guinea pig brain membranes" "CHEMBL" "=" "Tclin" "Homo sapiens" "fentanyl" 1164 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.34 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.82 "Ki" "Inhibition of [3H]DAMGO binding to mu opioid receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.23 "Ki" "CHEMBL" "=" "Mus musculus" "fentanyl" 1164 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 8.07 "Ki" "Binding affinity against mu opioid receptor in guinea pig brain membranes" "CHEMBL" "=" "Cavia porcellus" "fentanyl" 1164 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 8.03 "IC50" "Inhibition of delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction" "CHEMBL" "=" "Mus musculus" "fentanyl" 1164 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 6.4 "Ki" "Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain" "CHEMBL" "=" "Rattus norvegicus" "fentanyl" 1164 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 6.71 "Ki" "Binding affinity towards Opioid receptor kappa 1 using [3H]U-69593 as radioligand." "CHEMBL" "=" "Cavia porcellus" "fentanyl" 1164 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 4.7 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "fentanyl" 1164 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 5.3 "IC50" "Displacement of [3H]pentazocine from LAL/HA/BR guinea pig brain sigma1 receptor incubated for 90 mins by liquid scintillation counting method" "CHEMBL" "=" "Cavia porcellus" "fentanyl" 1164 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 8.67 "Ki" "In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "fentanyl" 1164 "Monoamine oxidase" "Enzyme" "P21397|P27338" "MAOA|MAOB" "AOFA_HUMAN|AOFB_HUMAN" 5.26 "Ki" "Displacement of [3H]2-BFI (1 nM) from imidazoline receptor I-2 in human brain" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "fentanyl" 1164 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.34 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "fentanyl" 1164 "Sigma non-opioid intracellular receptor 1" "Unclassified" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 5.3 "IC50" "Displacement of [3H]pentazocine from LAL/HA/BR guinea pig brain sigma1 receptor incubated for 90 mins by liquid scintillation counting method" "CHEMBL" "=" "Cavia porcellus" "fentanyl" 1164 "Sigma non-opioid intracellular receptor 1" "Unclassified" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.45 "IC50" "Displacement of [3H]PPP from sigma1 receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "fentiazac" 1165 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.26 "IC50" "Displacement of[3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "fexofenadine" 1170 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.67 "IC50" "Inhibition of human ERG in MCF7 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "fexofenadine" 1170 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.699 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fexofenadine" 1170 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL914" "ANTAGONIST" "Tclin" "Homo sapiens" "fexofenadine" 1170 "Solute carrier organic anion transporter family member 1A2" "Transporter" "P46721" "SLCO1A2" "SO1A2_HUMAN" 5.699 "Km" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "finasteride" 1171 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "finasteride" 1171 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "finasteride" 1171 "3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1" "Enzyme" "P14060" "HSD3B1" "3BHS1_HUMAN" 4.96 "Ki" "Binding affinity for 3-beta-hydroxysteroid dehydrogenase" "CHEMBL" "=" "Tchem" "Homo sapiens" "finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 1" "Enzyme" "P24008" "Srd5a1" "S5A1_RAT" 8.17 "Ki" "Inhibition of recombinant Steroid 5-alpha-reductase type I was evaluated as binding affinity (in vitro)" "CHEMBL" "=" "Rattus norvegicus" "finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31214" "Srd5a2" "S5A2_RAT" 9.55 "IC50" "Inhibitory activity was measured on rat Steroid 5-alpha-reductase type 2" "CHEMBL" "=" "Rattus norvegicus" "finasteride" 1171 "Steroid 5-alpha-reductase" "Enzyme" "P24008|P31214" "Srd5a1|Srd5a2" "S5A1_RAT|S5A2_RAT" 7.26 "Ki" "Ability to inhibit Steroid 5-alpha-reductase in rat using Enzyme kinetics method." "CHEMBL" "=" "Rattus norvegicus" "finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" 8.26 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020788s024lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "finasteride" 1171 "3-oxo-5-alpha-steroid 4-dehydrogenase 1" "Enzyme" "P18405" "SRD5A1" "S5A1_HUMAN" 7.58 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020788s024lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "flavoxate" 1175 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.704 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flavoxate" 1175 "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/CHEMBL1493" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flavoxate" 1175 "Phosphodiesterase 7" "Enzyme" "Q13946|Q9NP56" "PDE7A|PDE7B" "PDE7A_HUMAN|PDE7B_HUMAN" "Mechanism of Action; CHEMBL2111411; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flavoxate" 1175 "Phosphodiesterase 8" "Enzyme" "O60658|O95263" "PDE8A|PDE8B" "PDE8A_HUMAN|PDE8B_HUMAN" "Mechanism of Action; CHEMBL2363067; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1493" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flecainide" 1176 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.19 "IC50" "Inhibition of human heart sodium channel Nav1.5 by patch-clamp method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL652" "BLOCKER" "Tclin" "Homo sapiens" "flecainide" 1176 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.41 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "flecainide" 1176 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.745 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "flecainide" 1176 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 4 "Kd" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "flecainide" 1176 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 2.77 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "flecainide" 1176 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 5.1 "Kd" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "flecainide" 1176 "Potassium voltage-gated channel subfamily D member 2" "Ion channel" "Q63881" "Kcnd2" "KCND2_RAT" 5 "IC50" "Inhibition of rat potassium channel Kv4.2 by patch-clamp method" "CHEMBL" "=" "Rattus norvegicus" "flecainide" 1176 "Potassium voltage-gated channel subfamily C member 1" "Ion channel" "P15388" "Kcnc1" "KCNC1_MOUSE" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "fleroxacin" 1177 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 4.79 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "floctafenine" 1178 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.959 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23755755" "https://pubmed.ncbi.nlm.nih.gov/23755755" "INHIBITOR" "Tclin" "Homo sapiens" "floctafenine" 1178 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.268 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23755755" "https://pubmed.ncbi.nlm.nih.gov/23755755" "INHIBITOR" "Tclin" "Homo sapiens" "flopropione" 1180 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf" "http://eisai.jp/medical/products/di/EPI/CSP_C_EPI.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "floxacillin" 1183 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "floxacillin" 1183 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 6.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "floxacillin" 1183 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.19 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "floxuridine" 1184 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL917" "INHIBITOR" "Tclin" "Homo sapiens" "floxuridine" 1184 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 9.4 "IC50" "Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 4 hrs by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "fluconazole" 1187 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.1 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluconazole" 1187 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 6.699 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL106" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "fluconazole" 1187 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.54 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluconazole" 1187 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.09 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluconazole" 1187 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.4 "Kd" "Binding affinity to human His-tagged CYP51 expressed in Escherichia coli" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluconazole" 1187 "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)" "fluconazole" 1187 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 4.92 "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)" "fluconazole" 1187 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 5.39 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli" "CHEMBL" "=" "Neosartorya fumigata" "fluconazole" 1187 "Mycocyclosin synthase" "Enzyme" "P9WPP7" "cyp121" "CP121_MYCTU" 5.22 "Kd" "Binding affinity to Mycobacterium tuberculosis CYP121" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "fluconazole" 1187 "Sterol 14-alpha demethylase" "Enzyme" "Q7Z1V1" "CYP51" "CP51_TRYCC" 6.06 "IC50" "Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growth by fluorescence based analysis" "CHEMBL" "=" "Trypanosoma cruzi (strain CL Brener)" "flucytosine" 1188 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "flucytosine" 1188 "Thymidylate synthase" "Enzyme" "P0CS13" "TMP1" "TYSY_CRYNB" "Mechanism of Action; CHEMBL4665; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL170073" "INHIBITOR" "Cryptococcus neoformans var. neoformans serotype D (strain B-3501A)" "flucytosine" 1188 "Thymidylate synthase" "Enzyme" "P12461" "TMP1" "TYSY_CANAL" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL170073" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "flucytosine" 1188 "ATP-dependent molecular chaperone HSP82" "Cytosolic other" "P02829" "HSP82" "HSP82_YEAST" 6.15 "EC50" "WOMBAT-PK" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "fludarabine phosphate" 1189 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" 6 "IC50" "Inhibition of ADP reduction by ribonucleotide reductase from HeLa cells" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "fludarabine phosphate" 1189 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" 6 "IC50" "Inhibition of ADP reduction by ribonucleotide reductase from HeLa cells" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "fludarabine phosphate" 1189 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.88 "Ki" "Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "fludarabine phosphate" 1189 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 8.23 "Ki" "Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand." "CHEMBL" "=" "Rattus norvegicus" "fludarabine phosphate" 1189 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 7.55 "Ki" "Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "fludarabine phosphate" 1189 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.98 "Ki" "Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat adenosine A3 receptor" "CHEMBL" "=" "Rattus norvegicus" "fludarabine phosphate" 1189 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.88 "Ki" "Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "fludarabine phosphate" 1189 "DNA polymerase alpha catalytic subunit" "Enzyme" "P09884" "POLA1" "DPOLA_HUMAN" "WOMBAT-PK" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/020038s033lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "fludrocortisone acetate" 1191 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fludrocortisone acetate" 1191 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "fludrocortisone acetate" 1191 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.92 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201010" "AGONIST" "Tclin" "Homo sapiens" "flufenamic acid" 1193 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.93 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01581" "INHIBITOR" "Tclin" "Homo sapiens" "flufenamic acid" 1193 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.52 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01581" "INHIBITOR" "Tclin" "Homo sapiens" "flufenamic acid" 1193 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 7.25 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "flufenamic acid" 1193 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.12 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "flufenamic acid" 1193 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4 "IC50" "In vitro inhibition of rabbit lens aldose reductase." "CHEMBL" "=" "Tclin" "Homo sapiens" "flufenamic acid" 1193 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 5.22 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "flufenamic acid" 1193 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "flufenamic acid" 1193 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.1 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "flufenamic acid" 1193 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 4 "EC50" "Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to control" "CHEMBL" "=" "Tclin" "Homo sapiens" "flufenamic acid" 1193 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.74 "IC50" "Inhibition of chlorinating activity of recombinant myeloperoxidase by taurine assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "flufenamic acid" 1193 "Potassium channel subfamily T member 2" "Ion channel" "Q6UVM3" "KCNT2" "KCNT2_HUMAN" 8.85 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tbio" "Homo sapiens" "flufenamic acid" 1193 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.16 "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" "flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 2" "Ion channel" "O94759" "TRPM2" "TRPM2_HUMAN" 4.15 "IC50" "Inhibition of human recombinant TRPM2" "CHEMBL" "=" "Tchem" "Homo sapiens" "flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q8TD43" "TRPM4" "TRPM4_HUMAN" 5.55 "IC50" "GRAC: human TRPM4 blocker" "CHEMBL" "=" "Tchem" "Homo sapiens" "flufenamic acid" 1193 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.85 "IC50" "Inhibition of ovine COX1 assessed as reduction in PGF2alpha production by ELISA" "CHEMBL" "=" "Ovis aries" "flufenamic acid" 1193 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 6.12 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 5" "Ion channel" "Q9NZQ8" "TRPM5" "TRPM5_HUMAN" 4.62 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "flufenamic acid" 1193 "Transient receptor potential cation channel subfamily M member 4" "Ion channel" "Q7TN37" "Trpm4" "TRPM4_MOUSE" 5.6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "flufenamic acid" 1193 "Transcriptional enhancer factor TEF-3" "Transcription factor" "Q15561" "TEAD4" "TEAD4_HUMAN" 4.27 "IC50" "Inhibition of N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells assessed reduction in autopalmitoylation preincubated for 2 hrs followed by palmitoyl alkyne coenzyme A addition and measured after 30 mins by immunoblot analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "flufenamic acid" 1193 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.16 "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" "flufenamic acid" 1193 "Transcriptional enhancer factor TEF-3" "Transcription factor" "Q15561" "TEAD4" "TEAD4_HUMAN" 4.27 "IC50" "Inhibition of N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells assessed reduction in autopalmitoylation preincubated for 2 hrs followed by palmitoyl alkyne coenzyme A addition and measured after 30 mins by immunoblot analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "flufenamic acid" 1193 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 11 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "flufenamic acid" 1193 "Taste receptor type 2 member 14" "GPCR" "Q9NYV8" "TAS2R14" "T2R14_HUMAN" 6.863 "EC50" "calcium imaging in ransfected human embryonic kidney (HEK)-293T" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20022913" "AGONIST" "Tbio" "Homo sapiens" "fluindione" 1194 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.02 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "Rattus norvegicus" "flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 8.7 "Kd" "Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 8.24 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-2-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 8.09 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-3-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 9.3 "Kd" "Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "flumazenil" 1195 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 8.7 "Ki" "Displacement of [3H]Ro-154513 from benzodiazepine binding site of GABAA alpha-4-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin" "Homo sapiens" "flumazenil" 1195 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 9.046 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flumazenil" 1195 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" 8.979 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flumazenil" 1195 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 9.222 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flumazenil" 1195 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 9.097 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flumazenil" 1195 "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" 9.1 "Ki" "Binding affinity against Diazepam sensitive (DS) Gamma-aminobutyric acid A receptor in rat cerebellum." "CHEMBL" "=" "Rattus norvegicus" "flumazenil" 1195 "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" 10.05 "Ki" "Displacement of [3H]- Ro.15-1788 from GABA-A central Benzodiazepine receptor (BzR) of Bovine cerebral cortex membrane" "CHEMBL" "=" "Bos taurus" "flumazenil" 1195 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18508|P20236|P63138" "Gabrg2|Gabra3|Gabrb2" "GBRG2_RAT|GBRA3_RAT|GBRB2_RAT" 9.22 "Ki" "Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "flumazenil" 1195 "GABA A receptor alpha-6/beta-2/gamma-2" "Ion channel" "P18508|P30191|P63138" "Gabrg2|Gabra6|Gabrb2" "GBRG2_RAT|GBRA6_RAT|GBRB2_RAT" 7.82 "Ki" "Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gamma2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "flumazenil" 1195 "GABA-A receptor; alpha-1/beta-2/gamma-2" "Ion channel" "P18508|P62813|P63138" "Gabrg2|Gabra1|Gabrb2" "GBRG2_RAT|GBRA1_RAT|GBRB2_RAT" 9.3 "Ki" "Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "flumazenil" 1195 "GABA-A receptor alpha-6/beta-3/gamma-2" "Ion channel" "P18507|P28472|Q16445" "GABRG2|GABRB3|GABRA6" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA6_HUMAN" 6.83 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL407" "ALLOSTERIC ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flumazenil" 1195 "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" 9.05 "Ki" "Displacement of [3H]flumazenil from bovine benzodiazepine receptor GABA-A channel of brain membranes" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "flumetasone pivalate" 1198 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200877" "AGONIST" "Tclin" "Homo sapiens" "flunarizine" 1200 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.621 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.62 "IC50" "Binding affinity against mu opioid receptor using [3H]DAMGO" "CHEMBL" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.713 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.932 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.662 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.304 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.577 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.877 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.612 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.936 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.16 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.455 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.063 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.481 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.745 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.151 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.504 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.103 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.1 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.495 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 6.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.333 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.532 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "flunarizine" 1200 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.357 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.02 "IC50" "Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.44 "IC50" "Binding affinity against delta opiate receptor using [3H]DPDPE" "CHEMBL" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" 5.78 "IC50" "Inhibition of calcium channel Cav2.2 in IMR32 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "flunarizine" 1200 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.218 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "flunarizine" 1200 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.42 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "flunarizine" 1200 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.96 "IC50" "CHEMBL" "=" "Rattus norvegicus" "flunarizine" 1200 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.64 "IC50" "Inhibition of [3H]raclopride binding to Dopamine receptor D2 of rat striatum membranes" "CHEMBL" "=" "Rattus norvegicus" "flunarizine" 1200 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.37 "IC50" "CHEMBL" "=" "Rattus norvegicus" "flunarizine" 1200 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6.31 "IC50" "Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "flunarizine" 1200 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 7.28 "Ki" "Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical membrane" "CHEMBL" "=" "Rattus norvegicus" "flunarizine" 1200 "CAAX prenyl protease 2" "Enzyme" "Q9Y256" "RCE1" "FACE2_HUMAN" 4.15 "AC50" "PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618]" "CHEMBL" "=" "Tchem" "Homo sapiens" "flunarizine" 1200 "CAAX prenyl protease 2" "Enzyme" "Q03530" "RCE1" "RCE1_YEAST" 5.46 "AC50" "Active" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "flunarizine" 1200 "Potassium channel subfamily K member 2" "Ion channel" "Q8HY88" "Kcnk2" "Q8HY88_BOVIN" 5.6 "IC50" "Activation of bovine TREK1 expressed in AZT cells assessed as reduction in channel currents" "CHEMBL" "=" "Bos taurus" "flunarizine" 1200 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" 6.28 "Kd" "Inhibition of T-type Cav3.1 channel" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19582593" "BLOCKER" "Tclin" "Homo sapiens" "flunarizine" 1200 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.44 "Kd" "Inhibition of T-type Cav3.2 channel" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19582593" "BLOCKER" "Tclin" "Homo sapiens" "flunarizine" 1200 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" 6.08 "Kd" "Inhibition of T-type Cav3.3 channel" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19582593" "BLOCKER" "Tclin" "Homo sapiens" "flunisolide" 1201 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.1 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1512" "AGONIST" "Tclin" "Homo sapiens" "flunisolide" 1201 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.328 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 8.28 "Ki" "Assay using recombinant GABAA channels with subunit composition; α1β3γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 8.28 "Ki" "Assay using recombinant GABAA channels with subunit composition; α2β1γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 7.8 "Ki" "Assay using recombinant GABAA channels with subunit composition; α3β1γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "flunitrazepam" 1202 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 8.26 "Ki" "Assay using recombinant GABAA channels with subunit composition; α5β1γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4193" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "flunitrazepam" 1202 "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 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" 8.347 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 8.84 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.457 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 8.47 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "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" 8.82 "IC50" "Displacement of [3H]diazepam from GABA-A Benzodiazepine receptor of rat forebrain" "CHEMBL" "=" "Rattus norvegicus" "flunitrazepam" 1202 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" 8.824 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRB3|GABRA5|GABRG3" "GBRB3_HUMAN|GBRA5_HUMAN|GBRG3_HUMAN" 8.42 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRG2|GABRA5|GABRB2" "GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flunitrazepam" 1202 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.42 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "fluocinolone acetonide" 1204 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.848 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL989" "AGONIST" "Tclin" "Homo sapiens" "fluocinolone acetonide" 1204 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.475 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "fluocinonide" 1205 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.622 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1501" "AGONIST" "Tclin" "Homo sapiens" "fluocinonide" 1205 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.538 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "fluorescein" 1207 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.042 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "fluorescein" 1207 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 4.12 "IC50" "Inhibition of human recombinant GST-PRMT1 expressed in BL21 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluorescein" 1207 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.53 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "fluorescein" 1207 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "fluorometholone" 1208 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.801 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200600" "AGONIST" "Tclin" "Homo sapiens" "fluorometholone" 1208 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.067 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "fluorometholone" 1208 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.975 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "fluoxetine" 1209 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.356 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.2 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.07 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.155 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.091 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL41" "INHIBITOR" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.62 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.61 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "fluoxetine" 1209 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.11 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluoxetine" 1209 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.699 "Ki" "PDSP" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.156 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.047 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.569 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.538 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.569 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.444 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.155 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.89 "IC50" "Inhibition of AChE" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 4.85 "IC50" "Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 5.14 "Ki" "Binding affinity to human histamine H3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluoxetine" 1209 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.7 "Ki" "Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.11 "Ki" "Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "fluoxetine" 1209 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.84 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 7.97 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "fluoxetine" 1209 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 7.07 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "fluoxetine" 1209 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6.96 "Ki" "Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophotometric analysis" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "fluoxetine" 1209 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.8 "Ki" "Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7.82 "IC50" "Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.72 "Ki" "Evaluated for affinity at Alpha-2 adrenergic receptor of rat brain using [3H]rauwolscine as radioligand in radioligand binding assay" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.22 "Ki" "Binding affinity against rat cortical alpha-1 adrenergic receptor labeled with [3H]prazosin radioligand" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.64 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "fluoxetine" 1209 "Potassium voltage-gated channel subfamily C member 1" "Ion channel" "P25122" "Kcnc1" "KCNC1_RAT" 4.88 "IC50" "Inhibition of rat voltage-gated K channel 3.1 expressed in CHO cells by patch clamp assay" "CHEMBL" "=" "Rattus norvegicus" "fluoxetine" 1209 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.8 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "fluoxymesterone" 1210 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.24 "Ki" "Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1445" "AGONIST" "Tclin" "Homo sapiens" "flupentixol" 1211 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.4 "Ki" "Note that this assay uses the cis form of the compound, whereas the approved drug is a racemic mixture of cis and trans molecules." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "ANTAGONIST" "Tclin" "Homo sapiens" "flupentixol" 1211 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.82 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=948" "ANTAGONIST" "Tclin" "Homo sapiens" "flupentixol" 1211 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.65 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "flupentixol" 1211 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.095 "Ki" "PDSP" "Tclin" "Homo sapiens" "flupentixol" 1211 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.058 "Ki" "PDSP" "Tclin" "Homo sapiens" "flupentixol" 1211 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "flupentixol" 1211 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.96 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "flupentixol" 1211 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 8.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "flupentixol" 1211 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.066 "Ki" "PDSP" "Tclin" "Homo sapiens" "flupentixol" 1211 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.796 "Ki" "PDSP" "Tchem" "Homo sapiens" "flupentixol" 1211 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 5.7 "IC50" "Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "flupentixol" 1211 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.05 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "flupentixol" 1211 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 7.75 "Ki" "Binding affinity of compound towards Dopamine receptor D1 using [3H]SCH-23390 (0.5 nM) ligand in striatum bovine was determined" "CHEMBL" "=" "Bos taurus" "flupentixol" 1211 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 9.52 "IC50" "In vivo binding affinity against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]SCH-23390 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "flupentixol" 1211 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 8.52 "IC50" "Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor" "CHEMBL" "=" "Rattus norvegicus" "fluphenazine" 1212 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.075 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.649 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.269 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL726" "ANTAGONIST" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.503 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.067 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.33 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.101 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.711 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.838 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.044 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.602 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.456 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.464 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.097 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.191 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.087 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.37 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.887 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.793 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.252 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.575 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.999 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.315 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.447 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.655 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.476 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.476 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.539 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.788 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.171 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.535 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.019 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.886 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.005 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.072 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.839 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.268 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.397 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 5.33 "IC50" "Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.097 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.708 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "fluphenazine" 1212 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.125 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.1 "Ki" "Displacement of [3H]mibolerone from rat androgen receptor" "CHEMBL" "=" "Rattus norvegicus" "fluphenazine" 1212 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.67 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "Trypanosoma cruzi" "fluphenazine" 1212 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.721 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "fluphenazine" 1212 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.061 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "fluphenazine" 1212 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.049 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "fluphenazine" 1212 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.013 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "fluphenazine" 1212 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.62 "IC50" "CHEMBL" "=" "Rattus norvegicus" "fluphenazine" 1212 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.78 "IC50" "CHEMBL" "=" "Rattus norvegicus" "fluphenazine" 1212 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "fluphenazine" 1212 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "fluphenazine" 1212 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.77 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "fluphenazine" 1212 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.43 "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" "fluphenazine" 1212 "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" 7.1 "IC50" "The compound was tested for adenylate cyclase activity in rat corpus striatum" "CHEMBL" "=" "Rattus norvegicus" "fluphenazine decanoate" 1213 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "Mechanism of Action; CHEMBL217; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200854" "ANTAGONIST" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.678 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.268 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200951" "ANTAGONIST" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.503 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.225 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.837 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.979 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.048 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.42 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.097 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.19 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.087 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.611 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.887 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "fluphenazine enanthate" 1214 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.68 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.252 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.961 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.145 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.841 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.274 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.447 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.476 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.476 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.539 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.444 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "fluphenazine enanthate" 1214 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.886 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.839 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "fluphenazine enanthate" 1214 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.268 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "flupirtine" 1215 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "O43526" "KCNQ2" "KCNQ2_HUMAN" 5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "flupirtine" 1215 "Potassium voltage-gated channel subfamily KQT member 3" "Ion channel" "O43525" "KCNQ3" "KCNQ3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "flupirtine" 1215 "Serine hydroxymethyltransferase, mitochondrial" "Enzyme" "P34897" "SHMT2" "GLYM_HUMAN" 6.03 "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" "fluprednisolone" 1216 "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/CHEMBL1200774" "AGONIST" "Tclin" "Homo sapiens" "fludroxycortide" 1217 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.695 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201012" "AGONIST" "Tclin" "Homo sapiens" "fludroxycortide" 1217 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.658 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "flurazepam" 1218 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.222 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "flurazepam" 1218 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 8.1 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL968" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flurbiprofen" 1219 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.39 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "INHIBITOR" "Tclin" "Homo sapiens" "flurbiprofen" 1219 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.74 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL563" "INHIBITOR" "Tclin" "Homo sapiens" "flurbiprofen" 1219 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.49 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "flurbiprofen" 1219 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 5.81 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "flurbiprofen" 1219 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 4.59 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "Tchem" "Homo sapiens" "flurbiprofen" 1219 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.93 "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" "flurbiprofen" 1219 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 6.3 "IC50" "Inhibition of mouse COX2" "CHEMBL" "=" "Mus musculus" "flurbiprofen" 1219 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6 "Ki" "Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated" "CHEMBL" "=" "Ovis aries" "flurbiprofen" 1219 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 6.77 "IC50" "Concentration required to inhibit cyclooxygenase-1 in rat blood" "CHEMBL" "=" "Rattus norvegicus" "fluspirilene" 1222 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.229 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.292 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.436 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.244 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.64 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "fluspirilene" 1222 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "fluspirilene" 1222 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.82 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.93 "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" "fluspirilene" 1222 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.409 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "fluspirilene" 1222 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.951 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "fluspirilene" 1222 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.208 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.056 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "fluspirilene" 1222 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.92 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluspirilene" 1222 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "fluspirilene" 1222 "Nociceptin receptor" "GPCR" "P41146" "OPRL1" "OPRX_HUMAN" 6.3 "Ki" "Displacement of [125I]nociceptin from human NOP expressed in CHO cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "flutamide" 1223 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.646 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "flutamide" 1223 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.082 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "flutamide" 1223 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.89 "Ki" "Binding affinity against GST-hARLBD was measured in SC-3 cell by using [3H]testosterone as radioligand" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL806" "ANTAGONIST" "Tclin" "Homo sapiens" "flutamide" 1223 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.356 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "flutamide" 1223 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.049 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "flutamide" 1223 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.1 "IC50" "CHEMBL" "=" "Rattus norvegicus" "fluticasone propionate" 1225 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 10.74 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1473" "AGONIST" "Tclin" "Homo sapiens" "fluticasone propionate" 1225 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.83 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "fluticasone propionate" 1225 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.77 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "fluticasone propionate" 1225 "Cytosolic phospholipase A2" "Enzyme" "P47712" "PLA2G4A" "PA24A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "fluticasone propionate" 1225 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 9.12 "EC50" "Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosine amino transferase" "CHEMBL" "=" "Rattus norvegicus" "flutrimazole" 1227 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.21 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "flutrimazole" 1227 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 4.86 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluvastatin" 1229 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "fluvastatin" 1229 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.398 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "fluvastatin" 1229 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 4.96 "Kd" "Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluvastatin" 1229 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.6 "IC50" "Inhibitory activity against partially purified rat liver HMG-CoA reductase in vitro; 0.0015-0.0040" "CHEMBL" "=" "Rattus norvegicus" "fluvastatin" 1229 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 4.4 "IC50" "Inhibition of human recombinant NTCP expressed in CHO cells assessed as reduction in [3H]taurocholate uptake incubated for 2 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluvastatin" 1229 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 4.4 "IC50" "Inhibition of human recombinant NTCP expressed in CHO cells assessed as reduction in [3H]taurocholate uptake incubated for 2 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluvastatin" 1229 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.55 "IC50" "Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/020261s048,021192s021lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "fluvoxamine" 1230 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.44 "Ki" "Binding affinity to sigma 1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluvoxamine" 1230 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.51 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL814" "INHIBITOR" "Tclin" "Homo sapiens" "fluvoxamine" 1230 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.951 "Ki" "PDSP" "Tclin" "Homo sapiens" "fluvoxamine" 1230 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 8.84 "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" "fluvoxamine" 1230 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.07 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fluvoxamine" 1230 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.19 "Ki" "Inhibition of [3]5-HT uptake into rat astrocyte cultures." "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "fluvoxamine" 1230 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.44 "Ki" "Displacement of [3H]-(+)pentazocine from rat brain sigma 1-type opioid receptor" "CHEMBL" "=" "Rattus norvegicus" "folic acid" 1231 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 4.4 "Ki" "Inhibitory constant of thymidylate synthase was determined in human AML cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "folic acid" 1231 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 6.09 "Kd" "Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 7" "CHEMBL" "=" "Escherichia coli" "leucovorin" 1232 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 4.071 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "leucovorin" 1232 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 5.63 "Ki" "Tested for the inhibition of [14C]-DDATHF influx in CCRF-CEM cells of human leukemic lymphoblast" "CHEMBL" "=" "Tclin" "Homo sapiens" "fomepizole" 1233 "Alcohol dehydrogenase" "Enzyme" "P00325|P00326|P07327" "ADH1B|ADH1C|ADH1A" "ADH1B_HUMAN|ADH1G_HUMAN|ADH1A_HUMAN" "Mechanism of Action; CHEMBL2363044; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1308" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "fomepizole" 1233 "Alcohol dehydrogenase" "Enzyme" "P00327|P00328" "ADH1E_HORSE|ADH1S_HORSE" 7.89 "Kd" "Inhibition of horse liver alcohol dehydrogenase using ethanol as substrate assessed as dissociation constant by spectrophotometric titration in presence of 1 mM NAD+" "CHEMBL" "=" "Equus caballus" "fondaparinux" 1236 "Antithrombin-III" "Secreted" "P01008" "SERPINC1" "ANT3_HUMAN" 7.49 "Kd" "Catalyses the inactivation of coagulation proteases by activated antithrombin-III" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200644" "ACTIVATOR" "Tclin" "Homo sapiens" "formestane" 1238 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.569 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "formoterol" 1239 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.5 "Ki" "Displacement of [3H]CGP12177 from human beta-1 adrenoceptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "formoterol" 1239 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.6 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3989798" "AGONIST" "Tclin" "Homo sapiens" "formoterol" 1239 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.89 "Ki" "Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "formoterol" 1239 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.79 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "formoterol" 1239 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.6 "EC50" "Agonist activity at human recombinant beta3 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "formoterol" 1239 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 8.8 "EC50" "Agonist activity at beta2 receptor in guinea pig trachea assessed as fast onset of inhibition of electrically stimulated contraction" "CHEMBL" "=" "Cavia porcellus" "formoterol" 1239 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 8.523 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fosamprenavir" 1240 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "fosamprenavir" 1240 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" "Mechanism of Action; CHEMBL243; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1664" "INHIBITOR" "Human immunodeficiency virus 1" "foscarnet" 1241 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" 4.13 "IC50" "Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL666" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "foscarnet" 1241 "DNA polymerase catalytic subunit" "Enzyme" "P08546" "UL54" "DPOL_HCMVA" 5.6 "IC50" "Inhibition of human cytomegalovirus DNA polymerase (95 uL) activity in a solution containing 6.4 mM HEPES (pH 7.5), incubation for 12 minutes at 26 degrees C" "CHEMBL" "=" "Human cytomegalovirus (strain AD169)" "foscarnet" 1241 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 5.69 "IC50" "Inhibitory activity against HIV-1 reverse transcriptase" "CHEMBL" "=" "Human immunodeficiency virus 1" "foscarnet" 1241 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 5.6 "IC50" "CHEMBL" "=" "Human immunodeficiency virus 1" "fosfluconazole" 1242 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "WOMBAT-PK" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1" "Enzyme" "Q836E5" "murA1" "MURA1_ENTFA" "WOMBAT-PK" "Enterococcus faecalis (strain ATCC 700802 / V583)" "fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2" "Enzyme" "Q831A8" "murA2" "MURA2_ENTFA" "WOMBAT-PK" "Enterococcus faecalis (strain ATCC 700802 / V583)" "fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase" "Enzyme" "P0A749" "murA" "MURA_ECOLI" 7 "IC50" "Inhibition of Escherichia coli MurA expressed in Escherichia coli BL21(lambdaDE3) using UNAG and PEP as substrate incubated for 10 mins prior to PEP addition measured after 60 mins by spectrophotometric analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1757" "INHIBITOR" "Escherichia coli (strain K12)" "fosfomycin" 1243 "UDP-N-acetylglucosamine 1-carboxyvinyltransferase" "Enzyme" "Q9HVW7" "murA" "MURA_PSEAE" 4.98 "IC50" "Inhibition of Pseudomonas aeruginosa PAO1293 MurA in presence of UNAG" "CHEMBL" "=" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "fosinopril" 1245 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039598" "INHIBITOR" "Tclin" "Homo sapiens" "fosinopril" 1245 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.82 "Ki" "CHEMBL" "=" "Oryctolagus cuniculus" "fosphenytoin" 1247 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL919" "BLOCKER" "Tclin" "Homo sapiens" "frovatriptan" 1251 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.21 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "frovatriptan" 1251 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.99 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1279" "AGONIST" "Tclin" "Homo sapiens" "frovatriptan" 1251 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.36 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1D receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1279" "AGONIST" "Tclin" "Homo sapiens" "fructose" 1252 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 4.9 "EC50" "Positive allosteric modulatory activity at recombinant human glycine alpha1 receptor expressed in HEK293 cells assessed as potentiation of glycine-induced response at -50 mV holding potential in presence of fructose by whole cell patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ftivazide" 1253 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 6.34 "IC50" "Inhibition of human MPO" "CHEMBL" "=" "Tchem" "Homo sapiens" "fulvestrant" 1255 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.71 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "fulvestrant" 1255 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.25 "IC50" "Inhibition of bacterial wild type Beta-lactamase TEM-1 pre-incubated for 5 mins before addition of chromogenic beta-lactamase substrate CENTA by spectrophotometry" "CHEMBL" "=" "Escherichia coli" "fulvestrant" 1255 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.62 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "ANTAGONIST" "Tclin" "Homo sapiens" "fulvestrant" 1255 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.68 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "fulvestrant" 1255 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.74 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1358" "ANTAGONIST" "Tclin" "Homo sapiens" "fulvestrant" 1255 "G-protein coupled estrogen receptor 1" "GPCR" "Q99527" "GPER1" "GPER1_HUMAN" 7 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "fulvestrant" 1255 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 6.1 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "fulvestrant" 1255 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "P11474" "ESRRA" "ERR1_HUMAN" 8.7 "IC50" "Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method" "CHEMBL" "=" "Tchem" "Homo sapiens" "fulvestrant" 1255 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 7.59 "Ki" "Competitive inhibition of human recombinant soluble epoxide hydrolase using [3H]-tDPPO as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "fulvestrant" 1255 "Estrogen receptor" "Transcription factor" "P06211" "Esr1" "ESR1_RAT" 8.23 "IC50" "Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor" "CHEMBL" "=" "Rattus norvegicus" "fulvestrant" 1255 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.25 "IC50" "Inhibition of bacterial wild type Beta-lactamase TEM-1 pre-incubated for 5 mins before addition of chromogenic beta-lactamase substrate CENTA by spectrophotometry" "CHEMBL" "=" "Escherichia coli" "furaltadone" 1256 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 4.87 "IC50" "Inhibition of human JNK2alpha2 using GST-c-jun (1 to 221) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "furosemide" 1258 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 6.2 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL35" "INHIBITOR" "Tclin" "Homo sapiens" "furosemide" 1258 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.19 "Ki" "Inhibition of human recombinant full length CA2 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.21 "Ki" "Inhibition of human recombinant full length CA1 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.25 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.38 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.58 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.3 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.49 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.29 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.61 "Ki" "Inhibition of human recombinant full length CA6 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.28 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 5.42 "IC50" "Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH" "CHEMBL" "=" "Tclin" "Homo sapiens" "furosemide" 1258 "Solute carrier family 12 member 2" "Transporter" "P55011" "SLC12A2" "S12A2_HUMAN" 5.13 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "furosemide" 1258 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 6.26 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "furosemide" 1258 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 5.42 "IC50" "Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of NADPH" "CHEMBL" "=" "Mus musculus" "furosemide" 1258 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.49 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "furosemide" 1258 "Holo-[acyl-carrieir-protein] synthase" "Enzyme" "P96618" "acpS" "ACPS_BACSU" 4.9 "IC50" "Inhibitory activity against Bacillus subtilis AcpS by HTRF assay" "CHEMBL" "=" "Bacillus subtilis (strain 168)" "furosemide" 1258 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 5.64 "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" "fusidic acid" 1261 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.94 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "fusidic acid" 1261 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.76 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 5.3 "IC50" "Inhibitory activity against human GABA transporter-1 (hGAT1)" "CHEMBL" "=" "Tclin" "Homo sapiens" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P23978" "Slc6a1" "SC6A1_RAT" 5.59 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P31648" "Slc6a1" "SC6A1_MOUSE" 5.14 "IC50" "CHEMBL" "=" "Mus musculus" "aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P62813" "Gabra1" "GBRA1_RAT" 5 "EC50" "CHEMBL" "=" "Rattus norvegicus" "aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P23576" "Gabra2" "GBRA2_RAT" 7.66 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit rho-1" "Ion channel" "P24046" "GABRR1" "GBRR1_HUMAN" 6.57 "EC50" "Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 3" "Transporter" "P48066" "SLC6A11" "S6A11_HUMAN" 5.15 "IC50" "Inhibitory activity against human sodium and chloride dependent GABA transporter 3" "CHEMBL" "=" "Tbio" "Homo sapiens" "aminobutyric acid" 1262 "Sodium- and chloride-dependent betaine transporter" "Transporter" "P48065" "SLC6A12" "S6A12_HUMAN" 4.44 "IC50" "Inhibition of human GABA transporter (hBGT-1) activity." "CHEMBL" "=" "Tchem" "Homo sapiens" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 3" "Transporter" "P31650" "Slc6a11" "S6A11_MOUSE" 5.09 "IC50" "CHEMBL" "=" "Mus musculus" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 2" "Transporter" "P31646" "Slc6a13" "S6A13_RAT" 5.3 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 2" "Transporter" "P31649" "Slc6a13" "S6A13_MOUSE" 4.56 "IC50" "CHEMBL" "=" "Mus musculus" "aminobutyric acid" 1262 "Gamma-aminobutyric acid receptor subunit gamma-1" "Ion channel" "P23574" "Gabrg1" "GBRG1_RAT" 7.48 "IC50" "CHEMBL" "=" "Rattus norvegicus" "aminobutyric acid" 1262 "Gamma-aminobutyric acid type B receptor subunit 1" "GPCR" "Q9Z0U4" "Gabbr1" "GABR1_RAT" 4.6 "IC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "aminobutyric acid" 1262 "Sodium- and chloride-dependent GABA transporter 2" "Transporter" "Q9NSD5" "SLC6A13" "S6A13_HUMAN" 4.58 "IC50" "Inhibition of human GAT2 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "gabapentin" 1264 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gabapentin" 1264 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gabapentin" 1264 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gabapentin" 1264 "Gamma-aminobutyric acid type B receptor subunit 2" "GPCR" "O75899" "GABBR2" "GABR2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gabapentin" 1264 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gabapentin" 1264 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 4.523 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "gabapentin" 1264 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "P54289" "CACNA2D1" "CA2D1_HUMAN" 7.26 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL940" "MODULATOR" "Tclin" "Homo sapiens" "gabapentin" 1264 "Potassium voltage-gated channel subfamily KQT member 3" "Ion channel" "O43525" "KCNQ3" "KCNQ3_HUMAN" 8.28 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "gabapentin" 1264 "Potassium voltage-gated channel subfamily KQT member 5" "Ion channel" "Q9NR82" "KCNQ5" "KCNQ5_HUMAN" 8.72 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "gabapentin" 1264 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "O08532" "Cacna2d1" "CA2D1_MOUSE" 6.92 "Ki" "Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brain" "CHEMBL" "=" "Mus musculus" "gabapentin" 1264 "Uncharacterized protein; Voltage-dependent calcium channel alpha-2 delta subunit" "Ion channel" "O77773" "CACNA2D1" "O77773_PIG" 7.15 "IC50" "Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane" "CHEMBL" "=" "Sus scrofa" "gabapentin" 1264 "Voltage-dependent calcium channel subunit alpha-2/delta-2" "Ion channel" "Q9NY47" "CACNA2D2" "CA2D2_HUMAN" 6.928 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21651903" "https://pubmed.ncbi.nlm.nih.gov/21651903" "MODULATOR" "Tclin" "Homo sapiens" "galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.21 "Ki" "Inhibition of human recombinant AChE using acetylthiocholine as substrate" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL659" "INHIBITOR" "Tclin" "Homo sapiens" "galantamine" 1272 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 6.72 "Ki" "Inhibition of human recombinant BChE using acetylthiocholine as substrate" "CHEMBL" "=" "Tclin" "Homo sapiens" "galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 6.44 "IC50" "Inhibitory activity against acetylcholinesterase (AChE) from Torpedo californica (Reversible type of inhibition)" "CHEMBL" "=" "Torpedo californica" "galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 5.6 "IC50" "Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate incubated 10 mins prior to substrate addition measured after 10 mins by Ellman's method" "CHEMBL" "=" "Mus musculus" "galantamine" 1272 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 5.23 "IC50" "Inhibition of BChE from rat serum by Ellmans method" "CHEMBL" "=" "Rattus norvegicus" "galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 6.27 "IC50" "In vitro inhibitory effect on rat Acetylcholinesterase" "CHEMBL" "=" "Rattus norvegicus" "galantamine" 1272 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6.37 "Ki" "Competitive inhibition of Electrophorus electricus AChE by Lineweaver-Burke plot analysis" "CHEMBL" "=" "Electrophorus electricus" "galantamine" 1272 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 5.06 "IC50" "Inhibition of bovine AChE by Elman's method" "CHEMBL" "=" "Bos taurus" "galantamine" 1272 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 5.1 "Ki" "Inhibitory activity against BuChE from horse serum" "CHEMBL" "=" "Equus caballus" "galantamine" 1272 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.03 "Ki" "Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method" "CHEMBL" "=" "Equus caballus" "gallamine" 1273 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.07 "Ki" "Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in presence of para-LRB-AC42" "CHEMBL" "=" "Tclin" "Homo sapiens" "gallamine" 1273 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.43 "Ki" "Inhibition of human AChE" "CHEMBL" "=" "Tclin" "Homo sapiens" "gallamine" 1273 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 4.82 "Ki" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "Torpedo californica" "gallamine" 1273 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 5.6 "Ki" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Rattus norvegicus" "gallamine" 1273 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 6.89 "EC50" "Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor" "CHEMBL" "=" "Sus scrofa" "gallamine" 1273 "Acetylcholine receptor subunit alpha" "Ion channel" "P02708" "CHRNA1" "ACHA_HUMAN" 6 "IC50" "IUPHAR" "~" "BLOCKER" "Tclin" "Homo sapiens" "gallamine" 1273 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.148 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18305010" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "gallopamil" 1275 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.44 "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" "gamolenic acid" 1276 "3-oxo-5-alpha-steroid 4-dehydrogenase 2" "Enzyme" "P31213" "SRD5A2" "S5A2_HUMAN" 4.85 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "gamolenic acid" 1276 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6.57 "IC50" "Inhibition of PPAR-alpha (unknown origin) by SPA assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gamolenic acid" 1276 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.66 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gamolenic acid" 1276 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 6.12 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gamolenic acid" 1276 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.33 "EC50" "Agonist activity at human FFAR1 expressed in CHO-K1 cells assessed as calcium flux measured for 100 secs by FLIPR assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gamolenic acid" 1276 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.52 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "Tchem" "Homo sapiens" "ganciclovir" 1277 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL182" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "ganciclovir" 1277 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" "WOMBAT-PK" "Human herpesvirus 1" "ganciclovir" 1277 "Metabotropic glutamate receptor 1" "GPCR" "Q13255" "GRM1" "GRM1_HUMAN" 6.05 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ganciclovir" 1277 "Metabotropic glutamate receptor 5" "GPCR" "P41594" "GRM5" "GRM5_HUMAN" 5.41 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ganciclovir" 1277 "Capsid scaffolding protein" "Enzyme" "P10210" "UL26" "SCAF_HHV11" 6.07 "EC50" "WOMBAT-PK" "=" "Human herpesvirus 1 (strain 17)" "ganciclovir" 1277 "Purine nucleoside phosphorylase" "Enzyme" "P9WP01" "punA" "PUNA_MYCTU" 4.8 "Kd" "Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "ganirelix" 1279 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" "Mechanism of Action; CHEMBL1855; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1251" "ANTAGONIST" "Tclin" "Homo sapiens" "gatifloxacin" 1280 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 5.92 "IC50" "Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4" "CHEMBL" "=" "Staphylococcus aureus" "gatifloxacin" 1280 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 5.03 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "gatifloxacin" 1280 "DNA topoisomerase 4" "Enzyme" "P72525|Q59961" "parC|parE" "PARC_STRPN|PARE_STRPN" "Mechanism of Action; CHEMBL2363033; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "gatifloxacin" 1280 "DNA gyrase" "Enzyme" "P0A4L9|P72524" "gyrB|gyrA" "GYRB_STRPN|GYRA_STRPN" "Mechanism of Action; CHEMBL2311225; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL31" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "gatifloxacin" 1280 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" 6.3 "IC50" "Inhibitory activity against wild type Escherichia coli gyrase" "CHEMBL" "=" "Escherichia coli (strain K12)" "gefitinib" 1282 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.96 "IC50" "Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.64 "Kd" "Binding constant for ABL1(Q252H)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 5.74 "Kd" "Binding constant for KIT(A829P) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.4 "Ki" "Inhibition of EGFR" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL939" "INHIBITOR" "Tclin" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.2 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.7 "IC50" "Inhibition of BRAF V600E mutant (unknown origin) after 1 to 1.5 hrs by FRET-based Z'-Lyte assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.77 "IC50" "Inhibition of recombinant Ret by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.72 "IC50" "Inhibition of recombinant VEGFR2 by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.96 "Kd" "Average Binding Constant for ERBB2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 5.57 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.24 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.36 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 6.39 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.64 "Kd" "Average Binding Constant for JNK3; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.72 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "gefitinib" 1282 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 5.74 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.46 "Kd" "Binding constant for MET(Y1235D) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.43 "Kd" "Binding constant for full-length PHKG1" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.42 "Kd" "Binding constant for full-length DRAK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.33 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 5.8 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 5.82 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.7 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.23 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.16 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.37 "Kd" "Binding constant for full-length CSNK1E" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.59 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.24 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "gefitinib" 1282 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.26 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.7 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 4.7 "IC50" "Inhibition of BACE1 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.15 "Kd" "Average Binding Constant for GAK; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 6.28 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.89 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.64 "IC50" "Kinase Assay: FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the following order: 15 μl of ATP solution (in H2O), 20 μl of assay buffer (see below), 5 μl of test sample in 10% DMSO, 10 μl of enzyme/substrate mixture (in H2O). The assay for all enzymes contained 60 mM HEPES-NaOH, pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 μM Na-orthovanadate, 1.2 mM DTT, 50 μg/ml PEG20000, 1 μM [γ-33P]-ATP (approx. 8×10^5 cpm per well), protein kinase (variable amounts see Table 1), and substrate (variable amounts). Certain assays also contained 1 mM CaCl2, 4 mM EDTA, 5 μg/ml Phosphatidylserine and 1 μg/ml 1.2-Dioleyl-glycerol. The MYLK2, CAMK1D, CAMK2A, CAMK2B, CAMK2D, CAMK4, CAMKK2, DAPK2 and EEF2K assays additionally contained 1 μg/ml Calmodulin and 0.5 mM CaCl2. The PRKG1 and PRKG2 assays additionally contained 1 μM cGMP. Recombinant Protein Kinases: All protein kinases were expressed in Sf9 insect cells or " "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.04 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.44 "Kd" "Average Binding Constant for MKNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.85 "Kd" "Average Binding Constant for JNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.6 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase ULK3" "Kinase" "Q3U3Q1" "Ulk3" "ULK3_MOUSE" 5.85 "Kd" "Average Binding Constant for ULK3 m; NA=Not Active at 10 uM" "CHEMBL" "=" "Mus musculus" "gefitinib" 1282 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 6.01 "IC50" "Kinase Assay: FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the following order: 15 μl of ATP solution (in H2O), 20 μl of assay buffer (see below), 5 μl of test sample in 10% DMSO, 10 μl of enzyme/substrate mixture (in H2O). The assay for all enzymes contained 60 mM HEPES-NaOH, pH 7.5, 3 mM MgCl2, 3 mM MnCl2, 3 μM Na-orthovanadate, 1.2 mM DTT, 50 μg/ml PEG20000, 1 μM [γ-33P]-ATP (approx. 8×10^5 cpm per well), protein kinase (variable amounts see Table 1), and substrate (variable amounts). Certain assays also contained 1 mM CaCl2, 4 mM EDTA, 5 μg/ml Phosphatidylserine and 1 μg/ml 1.2-Dioleyl-glycerol. The MYLK2, CAMK1D, CAMK2A, CAMK2B, CAMK2D, CAMK4, CAMKK2, DAPK2 and EEF2K assays additionally contained 1 μg/ml Calmodulin and 0.5 mM CaCl2. The PRKG1 and PRKG2 assays additionally contained 1 μM cGMP. Recombinant Protein Kinases: All protein kinases were expressed in Sf9 insect cells or " "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.74 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.21 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 5.46 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 5.54 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 5.34 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 5.49 "Kd" "Binding constant for CSNK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.22 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 6.54 "Kd" "Binding constant for full-length MKNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 5.38 "Kd" "Binding constant for NLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 5.82 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 5.68 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.16 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.26 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 5.24 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 5.92 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.89 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "gefitinib" 1282 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.4 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 6.39 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Rattus norvegicus" "gefitinib" 1282 "Mitogen-activated protein kinase 6" "Kinase" "Q16659" "MAPK6" "MK06_HUMAN" 5.8 "Kd" "Binding constant for ERK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "gefitinib" 1282 "Mitogen-activated protein kinase 4" "Kinase" "P31152" "MAPK4" "MK04_HUMAN" 5.51 "Kd" "Binding constant for ERK4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "gefitinib" 1282 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 5.92 "Kd" "Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.06 "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" "gefitinib" 1282 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 5.74 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 6.27 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 6.1 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.49 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.51 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 7.16 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 5.48 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 5.68 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.62 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 6.1 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Quinolone resistance protein NorA" "Transporter" "P0A0J7" "norA" "NORA_STAAU" 5.01 "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" "gefitinib" 1282 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 6.25 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "gefitinib" 1282 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 5.12 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "gefitinib" 1282 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.22 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "gefitinib" 1282 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.42 "Kd" "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22037378" "Tclin" "Homo sapiens" "gemcitabine" 1283 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gemcitabine" 1283 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "gemcitabine" 1283 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL888" "INHIBITOR" "Tclin" "Homo sapiens" "gemcitabine" 1283 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL888" "INHIBITOR" "Tclin" "Homo sapiens" "gemcitabine" 1283 "UMP-CMP kinase" "Kinase" "P30085" "CMPK1" "KCY_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "gemcitabine" 1283 "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/CHEMBL888" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "gemfibrozil" 1285 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "gemfibrozil" 1285 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 7 "Kd" "CHEMBL" "=" "Tclin" "Homo sapiens" "gemfibrozil" 1285 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.74 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "gemfibrozil" 1285 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.523 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "gemfibrozil" 1285 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.23 "EC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL457" "AGONIST" "Tclin" "Homo sapiens" "gemfibrozil" 1285 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.73 "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" "gemfibrozil" 1285 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 5.14 "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" "gemifloxacin" 1286 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 6.52 "IC50" "CHEMBL" "=" "Staphylococcus aureus" "gemifloxacin" 1286 "DNA gyrase subunit B" "Enzyme" "P0AES7" "gyrB" "GYRB_ECO57" "WOMBAT-PK" "Escherichia coli O157:H7" "gemifloxacin" 1286 "DNA topoisomerase 4 subunit A" "Enzyme" "P72525" "parC" "PARC_STRPN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL430" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "gestodene" 1291 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gestodene" 1291 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "gestrinone" 1292 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.11 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "gimeracil" 1293 "Dihydropyrimidine dehydrogenase [NADP(+)]" "Enzyme" "Q12882" "DPYD" "DPYD_HUMAN" 6.638 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/3114201" "https://pubmed.ncbi.nlm.nih.gov/21668582" "INHIBITOR" "Tclin" "Homo sapiens" "glafenine" 1297 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.65 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "glafenine" 1297 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.49 "IC50" "CHEMBL" "=" "Rattus norvegicus" "glibornuride" 1298 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 5.17 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "glibornuride" 1298 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 7.046 "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" "gliclazide" 1299 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 5.13 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "gliclazide" 1299 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 6.222 "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" "glimepiride" 1300 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9.24 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1481" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "glimepiride" 1300 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 7.98 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "glipizide" 1301 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9.097 "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" "gliquidone" 1302 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9 "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" "glisoxepide" 1305 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 7.959 "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" "glutamic acid" 1310 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.21 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.37 "Ki" "Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor 1" "Ion channel" "P42261" "GRIA1" "GRIA1_HUMAN" 5.87 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 1 in HEK293 cells using [3H]-AMPA as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P39086" "GRIK1" "GRIK1_HUMAN" 6.15 "Ki" "Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]kainate as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor 2" "Ion channel" "P42262" "GRIA2" "GRIA2_HUMAN" 6.03 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 2 in HK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 1" "GPCR" "Q13255" "GRM1" "GRM1_HUMAN" 6.6 "Ki" "Displacement of [3H]quisqualate from mGluR1 receptor expressed in BHK cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Glutamate dehydrogenase 1, mitochondrial" "Enzyme" "P00367" "GLUD1" "DHE3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "glutamic acid" 1310 "Glutamate dehydrogenase 2, mitochondrial" "Enzyme" "P49448" "GLUD2" "DHE4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 5" "Ion channel" "Q16478" "GRIK5" "GRIK5_HUMAN" 6.15 "Ki" "Displacement of [3H]kainate from human Ionotropic glutamate receptor ionotropic kainate 1 expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 5" "GPCR" "P41594" "GRM5" "GRM5_HUMAN" 6.41 "Ki" "Binding affinity to mGluR5 receptor expressed in BHK cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 4" "GPCR" "Q14833" "GRM4" "GRM4_HUMAN" 5.85 "Ki" "Displacement of [3H]Quisqualate from human mGluR4 receptor expressed in BHK cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor 4" "Ion channel" "P48058" "GRIA4" "GRIA4_HUMAN" 6.06 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 4 in HEK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "Q13002" "GRIK2" "GRIK2_HUMAN" 5.96 "Ki" "Binding affinity against human GluR6" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "Q13003" "GRIK3" "GRIK3_HUMAN" 6.1 "Ki" "Ability to bind to Ionotropic glutamate receptor ionotropic kainate 3 was evaluated" "CHEMBL" "=" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 7" "GPCR" "Q14831" "GRM7" "GRM7_HUMAN" 5.93 "EC50" "Agonist activity at human mGlu7 receptor expressed in HEK293 assessed as inhibition of forskolin stimulated cAMP production" "CHEMBL" "=" "Tbio" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 6" "GPCR" "O15303" "GRM6" "GRM6_HUMAN" 5.31 "EC50" "Compound was tested for the inhibition of Metabotropic glutamate receptor 6" "CHEMBL" "=" "Tbio" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 2" "GPCR" "Q14416" "GRM2" "GRM2_HUMAN" 6.54 "EC50" "Compound was tested for the inhibition of metabotropic glutamate receptor 2 (mGluR2)." "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Excitatory amino acid transporter 1" "Transporter" "P43003" "SLC1A3" "EAA1_HUMAN" 4.46 "Ki" "Inhibition of [3H]D-Asp uptake at EAAT1 in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Excitatory amino acid transporter 2" "Transporter" "P43004" "SLC1A2" "EAA2_HUMAN" 4.21 "Ki" "Inhibition of [3H]D-Asp uptake at human EAAT2 in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Excitatory amino acid transporter 3" "Transporter" "P43005" "SLC1A1" "EAA3_HUMAN" 7.29 "Ki" "Inhibition of [3H]D-Asp uptake at human EAAT3 in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor 2" "Ion channel" "P19491" "Gria2" "GRIA2_RAT" 6.55 "Ki" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate receptor 3" "Ion channel" "P42263" "GRIA3" "GRIA3_HUMAN" 6.595 "Ki" "PDSP" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 4" "Ion channel" "Q16099" "GRIK4" "GRIK4_HUMAN" 7.738 "Ki" "PDSP" "Tclin" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 3" "GPCR" "Q14832" "GRM3" "GRM3_HUMAN" 7.4 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Metabotropic glutamate receptor 8" "GPCR" "O00222" "GRM8" "GRM8_HUMAN" 5.7 "IC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "glutamic acid" 1310 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 5.54 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "P42260" "Grik2" "GRIK2_RAT" 5.48 "Ki" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P22756" "Grik1" "GRIK1_RAT" 6.85 "Ki" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Metabotropic glutamate receptor 4" "GPCR" "P31423" "Grm4" "GRM4_RAT" 4.92 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Metabotropic glutamate receptor 6" "GPCR" "P35349" "Grm6" "GRM6_RAT" 4.8 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate receptor 1" "Ion channel" "P19490" "Gria1" "GRIA1_RAT" 4.46 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate receptor 3" "Ion channel" "P19492" "Gria3" "GRIA3_RAT" 4 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate receptor 4" "Ion channel" "P19493" "Gria4" "GRIA4_RAT" 4.77 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "P42264" "Grik3" "GRIK3_RAT" 6.31 "Ki" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate racemase" "Enzyme" "Q03469" "murI" "MURI_LACFE" 4.55 "Ki" "CHEMBL" "=" "Lactobacillus fermentum" "glutamic acid" 1310 "Metabotropic glutamate receptor 8" "GPCR" "P70579" "Grm8" "GRM8_RAT" 5.47 "Ki" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Metabotropic glutamate receptor 8" "GPCR" "P47743" "Grm8" "GRM8_MOUSE" 7.66 "EC50" "CHEMBL" "=" "Mus musculus" "glutamic acid" 1310 "Metabotropic glutamate receptor 5" "GPCR" "P31424" "Grm5" "GRM5_RAT" 5.36 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Metabotropic glutamate receptor 1" "GPCR" "P23385" "Grm1" "GRM1_RAT" 5 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Metabotropic glutamate receptor 2" "GPCR" "P31421" "Grm2" "GRM2_RAT" 5.4 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Metabotropic glutamate receptor 3" "GPCR" "P31422" "Grm3" "GRM3_RAT" 5.52 "EC50" "CHEMBL" "=" "Rattus norvegicus" "glutamic acid" 1310 "Glutamate racemase" "Enzyme" "P56068" "murI" "MURI_HELPY" 5.24 "Ki" "Inhibition of Helicobacter pylori glutamate racemase" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "glutamic acid" 1310 "Excitatory amino acid transporter 4" "Transporter" "O35921" "Slc1a6" "EAA4_RAT" 4.89 "IC50" "Inhibition of rat EAAT4 expressed in tsA201 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "glutamine" 1311 "Amino acid transporter" "Transporter" "Q9Z1J7" "Slc1a5" "Q9Z1J7_RAT" 4.57 "IC50" "Inhibition of ASCT2 in rat hippocampal astrocytes at high affinity component 1 assessed as reduction in [3H]-D-serine uptake after 5 mins by beta counting analysis" "CHEMBL" "=" "Rattus norvegicus" "glutathione" 1312 "Glutathione S-transferase kappa 1" "Enzyme" "Q9Y2Q3" "GSTK1" "GSTK1_HUMAN" 7.7 "IC50" "Affinity towards recombinant Glutathione S-transferase (GST) Enzyme." "CHEMBL" "=" "Tchem" "Homo sapiens" "glutethimide" 1313 "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/CHEMBL1102" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "glibenclamide" 1314 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.13 "IC50" "Inhibition of human ERG potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "glibenclamide" 1314 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.28 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "glibenclamide" 1314 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.795 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "INHIBITOR" "Tchem" "Homo sapiens" "glibenclamide" 1314 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.18 "Ki" "Binding affinity to PPARgamma (unknown origin) by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "glibenclamide" 1314 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 4.66 "Ki" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "glibenclamide" 1314 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 8.21 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "glibenclamide" 1314 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 5.55 "IC50" "CHEMBL" "=" "Rattus norvegicus" "glibenclamide" 1314 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q61743" "Kcnj11" "KCJ11_MOUSE" 5.7 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "glibenclamide" 1314 "NACHT, LRR and PYD domains-containing protein 3" "Unclassified" "Q96P20" "NLRP3" "NLRP3_HUMAN" 4.92 "IC50" "Inhibition of NLRP3 in LPS activated human monocytes after 30 mins by ELISA analysis in presence of ATP" "CHEMBL" "=" "Homo sapiens" "glibenclamide" 1314 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 5.78 "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" "glibenclamide" 1314 "Peroxisome proliferator-activated receptor gamma" "Nuclear other" "P37231" "PPARG" "PPARG_HUMAN" 6.18 "Ki" "Binding affinity to PPARgamma (unknown origin) by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "glibenclamide" 1314 "Sur1-Trpm4; Sulfonylurea receptor 1 - Transient receptor potential melastatin 4" "Ion channel" "Q09429|Q9ESQ5" "Abcc8|Trpm4" "ABCC8_RAT|TRPM4_RAT" 7.32 "EC50" "activity measured in native reactive (type R1) rat astrocytes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/13679426" "INHIBITOR" "Tclin|Tclin" "Rattus norvegicus" "glibenclamide" 1314 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 9.523 "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" "glycine" 1319 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 6.6 "IC50" "In vitro inhibitory activity to inhibit [3H]glycine binding to NMDA receptor" "CHEMBL" "=" "Rattus norvegicus" "glycine" 1319 "Sodium- and chloride-dependent glycine transporter 1" "Transporter" "P48067" "SLC6A9" "SC6A9_HUMAN" 4.5 "IC50" "Inhibition of GlyT1 (unknown origin) assessed as inhibition of [14C]glycine uptake" "CHEMBL" "=" "Tchem" "Homo sapiens" "glycine" 1319 "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" 6.77 "Ki" "Affinity for the glycine binding site of NMDA receptor by inhibition of [3H]5,7-dichlorokynurenic acid ([3H]DCKA) binding to rat brain synaptic membrane" "CHEMBL" "=" "Rattus norvegicus" "glycine" 1319 "Olfactory receptor 51E2" "GPCR" "Q9H255" "OR51E2" "O51E2_HUMAN" 7.24 "EC50" "Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "glycyrrhizic acid" 1325 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P80365" "HSD11B2" "DHI2_HUMAN" 9.4 "IC50" "Inhibition of human 11beta-HSD2 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "glycyrrhizic acid" 1325 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 8.22 "IC50" "Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "glycyrrhizic acid" 1325 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 8.52 "IC50" "Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone into [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "Mus musculus" "glycyrrhizic acid" 1325 "High mobility group protein B1" "Nuclear other" "P09429" "HMGB1" "HMGB1_HUMAN" 4.06 "Kd" "Binding affinity to recombinant HMGB1 B box region (90 to 175 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-based assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "goserelin" 1327 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "goserelin" 1327 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" "Mechanism of Action; CHEMBL1855; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201247" "AGONIST" "Tclin" "Homo sapiens" "gossypol" 1328 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.59 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "gossypol" 1328 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.34 "IC50" "Inhibition of Escherichia coli AmpC beta lactamase using relaxed assay conditions in presence of 0.00001% Triton X-100 detergent" "CHEMBL" "=" "Escherichia coli (strain K12)" "gossypol" 1328 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 6.3 "Ki" "The compound was tested for inhibitory activity against Aldose reductase from human placenta" "CHEMBL" "=" "Tclin" "Homo sapiens" "gossypol" 1328 "Apoptosis regulator Bcl-2" "Cytosolic other" "P10415" "BCL2" "BCL2_HUMAN" 6.77 "Ki" "Displacement of FAM-Bim peptide from human Bcl2 by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gossypol" 1328 "Induced myeloid leukemia cell differentiation protein Mcl-1" "Cytosolic other" "Q07820" "MCL1" "MCL1_HUMAN" 6.74 "Ki" "Displacement of FAM-Bid from human Mcl1 by FP assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gossypol" 1328 "Bcl-2-like protein 1" "Cytosolic other" "Q07817" "BCL2L1" "B2CL1_HUMAN" 6.32 "Ki" "Displacement of FAM-Bak from human Bcl-xL by FP assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gossypol" 1328 "Malate dehydrogenase, mitochondrial" "Enzyme" "P00346" "MDH2" "MDHM_PIG" 5.55 "IC50" "Inhibition of pig heart mitochondrial MDH" "CHEMBL" "=" "Sus scrofa" "gossypol" 1328 "Lactate dehydrogenase" "Enzyme" "Q0PJ46" "LDH" "Q0PJ46_PLAFA" 5.58 "IC50" "Inhibition of Plasmodium falciparum LDH" "CHEMBL" "=" "Plasmodium falciparum" "gossypol" 1328 "Malate dehydrogenase" "Enzyme" "Q6VVP7" "Q6VVP7_PLAFA" 5.69 "IC50" "Inhibition of Plasmodium falciparum MDH" "CHEMBL" "=" "Plasmodium falciparum" "gossypol" 1328 "Malate dehydrogenase, cytoplasmic" "Enzyme" "P11708" "MDH1" "MDHC_PIG" 5.24 "IC50" "Inhibition of pig cytosolic MDH" "CHEMBL" "=" "Sus scrofa" "gossypol" 1328 "L-lactate dehydrogenase A chain" "Enzyme" "P00338" "LDHA" "LDHA_HUMAN" 5.72 "Ki" "Competitive inhibition of human LDH5 in presence of NADH" "CHEMBL" "=" "Tchem" "Homo sapiens" "gossypol" 1328 "Apoptosis regulator Bcl-W" "Cytosolic other" "Q92843" "BCL2L2" "B2CL2_HUMAN" 4.75 "Ki" "Displacement of Flu-Bak peptide from recombinant antiapoptotic Bcl-w protein by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gossypol" 1328 "Kinesin-like protein 1" "Enzyme" "P52732" "KIF11" "KIF11_HUMAN" 4.97 "IC50" "Inhibition of human recombinant Eg5 ATPase activity expressed in Escherichia coli after 30 mins by malachite green-based spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "gossypol" 1328 "Solute carrier family 2, facilitated glucose transporter member 1" "Transporter" "P11166" "SLC2A1" "GTR1_HUMAN" 4.7 "Ki" "Mixed type non-competitive inhibition of glucose displaceable binding of [4-3H]cytochalasin B to GLUT1 in human erythrocyte membranes after 10 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "gossypol" 1328 "DNA-3-methyladenine glycosylase" "Enzyme" "P29372" "MPG" "3MG_HUMAN" 5.52 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "gossypol" 1328 "L-lactate dehydrogenase B chain" "Enzyme" "P07195" "LDHB" "LDHB_HUMAN" 5.85 "Ki" "Competitive inhibition of human LDH1 in presence of NADH" "CHEMBL" "=" "Homo sapiens" "granisetron" 1329 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.428 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "granisetron" 1329 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL289469" "ANTAGONIST" "Tclin" "Homo sapiens" "granisetron" 1329 "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" "granisetron" 1329 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.3 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "granisetron" 1329 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 9.46 "Ki" "Ability to displace [3H]granisetron specifically bound to 5-hydroxytryptamine 3 receptor in rat cortical membrane" "CHEMBL" "=" "Rattus norvegicus" "granisetron" 1329 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 4.42 "Ki" "In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "granisetron" 1329 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 8.8 "Ki" "GRAC: human 5-HT3B selective antagonist" "CHEMBL" "=" "Tchem" "Homo sapiens" "granisetron" 1329 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 4.17 "Ki" "In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "grepafloxacin" 1330 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.3 "IC50" "Inhibitory activity against Potassium channel HERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "grepafloxacin" 1330 "DNA topoisomerase 4" "Enzyme" "P72525|Q59961" "parC|parE" "PARC_STRPN|PARE_STRPN" "Mechanism of Action; CHEMBL2363033; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL583" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "grepafloxacin" 1330 "DNA gyrase" "Enzyme" "P0A4L9|P72524" "gyrB|gyrA" "GYRB_STRPN|GYRA_STRPN" "Mechanism of Action; CHEMBL2311225; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL583" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "griseofulvin" 1331 "Tubulin beta chain" "Structural" "P10875" "TUB2" "TBB_CANAX" "WOMBAT-PK" "Candida albicans" "griseofulvin" 1331 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "griseofulvin" 1331 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.14 "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" "griseofulvin" 1331 "Tubulin" "Structural" "F2SG63|F2SZ02|F2SZD3" "F2SG63_TRIRC|F2SZ02_TRIRC|F2SZD3_TRIRC" "Mechanism of Action; CHEMBL2364703; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL562" "INHIBITOR" "Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)" "guaiacol" 1334 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.53 "Ki" "Inhibition of human erythrocyte CA2 esterase activity using 4-nitrophenyl acetate substrate" "CHEMBL" "=" "Tclin" "Homo sapiens" "guaiacol" 1334 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.22 "Ki" "Inhibition of human erythrocyte CA1 esterase activity using 4-nitrophenyl acetate substrate" "CHEMBL" "=" "Tclin" "Homo sapiens" "guanadrel" 1339 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1037" "SUBSTRATE" "Tclin" "Homo sapiens" "guanadrel" 1339 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "guanethidine" 1342 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "guanethidine" 1342 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL765" "SUBSTRATE" "Tclin" "Homo sapiens" "guanethidine" 1342 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "guanethidine" 1342 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "guanethidine" 1342 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "guanethidine" 1342 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "guanethidine" 1342 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "guanfacine" 1343 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.065 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanfacine" 1343 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.875 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanfacine" 1343 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.119 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanfacine" 1343 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.926 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "guanfacine" 1343 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.68 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "guanfacine" 1343 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.263 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanfacine" 1343 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.72 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "guanfacine" 1343 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.87 "IC50" "CHEMBL" "=" "Rattus norvegicus" "guanfacine" 1343 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.164 "EC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022037s011lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "guanidine" 1344 "Voltage-gated potassium channel" "Ion channel" "O43525|O43526|O95259|P16389|P17658|P22001|P22459|P22460|P48547|P51787|P56696|Q03721|Q09470|Q12809|Q14003|Q14721|Q16322|Q6PIU1|Q8NCM2|Q8TAE7|Q8TDN1|Q8TDN2|Q92953|Q96KK3|Q96L42|Q96PR1|Q96RP8|Q9BQ31|Q9H252|Q9H3M0|Q9NR82|Q9NS40|Q9NSA2|Q9NZV8|Q9UIX4|Q9UJ96|Q9UK17|Q9ULD8|Q9ULS6|Q9UQ05" "KCNQ3|KCNQ2|KCNH1|KCNA2|KCNA6|KCNA3|KCNA4|KCNA5|KCNC1|KCNQ1|KCNQ4|KCNC4|KCNA1|KCNH2|KCNC3|KCNB1|KCNA10|KCNV1|KCNH5|KCNG3|KCNG4|KCNV2|KCNB2|KCNS1|KCNH8|KCNC2|KCNA7|KCNS3|KCNH6|KCNF1|KCNQ5|KCNH7|KCND1|KCND2|KCNG1|KCNG2|KCND3|KCNH3|KCNS2|KCNH4" "KCNQ3_HUMAN|KCNQ2_HUMAN|KCNH1_HUMAN|KCNA2_HUMAN|KCNA6_HUMAN|KCNA3_HUMAN|KCNA4_HUMAN|KCNA5_HUMAN|KCNC1_HUMAN|KCNQ1_HUMAN|KCNQ4_HUMAN|KCNC4_HUMAN|KCNA1_HUMAN|KCNH2_HUMAN|KCNC3_HUMAN|KCNB1_HUMAN|KCA10_HUMAN|KCNV1_HUMAN|KCNH5_HUMAN|KCNG3_HUMAN|KCNG4_HUMAN|KCNV2_HUMAN|KCNB2_HUMAN|KCNS1_HUMAN|KCNH8_HUMAN|KCNC2_HUMAN|KCNA7_HUMAN|KCNS3_HUMAN|KCNH6_HUMAN|KCNF1_HUMAN|KCNQ5_HUMAN|KCNH7_HUMAN|KCND1_HUMAN|KCND2_HUMAN|KCNG1_HUMAN|KCNG2_HUMAN|KCND3_HUMAN|KCNH3_HUMAN|KCNS2_HUMAN|KCNH4_HUMAN" "Mechanism of Action; CHEMBL2362996; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL821" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "halazepam" 1348 "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/CHEMBL970" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "ulobetasol propionate" 1349 "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/CHEMBL1200908" "AGONIST" "Tclin" "Homo sapiens" "halofantrine" 1350 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.12 "Ki" "Inhibition of human ERG expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "haloperidol" 1353 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.003 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.82 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.15 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL54" "INVERSE AGONIST" "Tclin" "Homo sapiens" "haloperidol" 1353 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.947 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.92 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 6.72 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "haloperidol" 1353 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "haloperidol" 1353 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.74 "Ki" "Binding affinity to human SERT" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.74 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.55 "Ki" "Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]8-OH-DPAT as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.33 "Ki" "Binding affinity to human cloned 5HT2C receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.22 "Ki" "Binding affinity to human cloned 5HT6 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.45 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.52 "Ki" "WOMBAT-PK" "=" "INVERSE AGONIST" "Tclin" "Homo sapiens" "haloperidol" 1353 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.52 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "haloperidol" 1353 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.36 "Ki" "Binding affinity to human cloned histamine H1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.999 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.8 "Ki" "Binding affinity to human cloned muscarinic M1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.182 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.569 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "haloperidol" 1353 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.26 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.553 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.097 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 6.3 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.648 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "haloperidol" 1353 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.301 "Ki" "PDSP" "Tchem" "Homo sapiens" "haloperidol" 1353 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 5.26 "IC50" "Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol" 1353 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 6.2 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "haloperidol" 1353 "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" "haloperidol" 1353 "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" "haloperidol" 1353 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 7 "Ki" "Binding affinity for HIV-1 protease" "CHEMBL" "=" "Human immunodeficiency virus 1" "haloperidol" 1353 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.76 "Kd" "Binding affinity towards Alpha-1A adrenergic receptor in rat denuded thoracic aorta" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 6.4 "Ki" "CHEMBL" "=" "Cavia porcellus" "haloperidol" 1353 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 6.62 "Ki" "Inhibition of [3H]N-methylscopolamine binding to Muscarinic acetylcholine receptor M2 of rat heart membranes" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 5.74 "Ki" "Compound was tested for the binding affinity against rat cortical Muscarinic acetylcholine receptor M1 by Radio ligand [3H]pirenzepine binding assay." "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.7 "Ki" "Binding towards Dopamine receptor D2 using [3H]spiperone from rat striatal membrane" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.4 "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" "haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.35 "Ki" "In vitro ability to displace [3H]ketanserin from 5-hydroxytryptamine 2A receptor in rat brain." "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 9.05 "Ki" "Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat brain homogenate" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.58 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "haloperidol" 1353 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.7 "Ki" "Affinity for Dopamine receptor D1" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 9.52 "Ki" "Evaluated for binding towards Dopamine receptor D2 using [3H]-spiperone as radioligand, in cloned mammalian receptors expressed in CHO-K1 cells" "CHEMBL" "=" "Bos taurus" "haloperidol" 1353 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.7 "IC50" "Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]prazosin" "CHEMBL" "=" "Bos taurus" "haloperidol" 1353 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.42 "Ki" "Half-maximal inhibition of [3H]pyrilamine binding to Histamine H1 receptor in rat frontal cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.52 "Ki" "Binding affinity towards baculovirus expressed rat dopamine D3 receptors" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 7 "Ki" "The compound was tested for its affinity against HIV-2 protease" "CHEMBL" "=" "Human rhinovirus sp" "haloperidol" 1353 "D(2) dopamine receptor" "GPCR" "P52702" "DRD2" "DRD2_CHLAE" 8.32 "Ki" "Displacement of [3H]YM-09151 from recombinant African green monkey Dopamine receptor D2" "CHEMBL" "=" "Chlorocebus aethiops" "haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 7.52 "IC50" "Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine frontal cortex using [3H]ketanserin" "CHEMBL" "=" "Bos taurus" "haloperidol" 1353 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 9.3 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "haloperidol" 1353 "D(1A) dopamine receptor" "GPCR" "P50130" "DRD1" "DRD1_PIG" 7.03 "Ki" "Displacement of [3H]SCH23390 from D1 receptor from porcine cerebral cortex homogenates" "CHEMBL" "=" "Sus scrofa" "haloperidol" 1353 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 9.08 "Ki" "Displacement of [3H](+)-PTZ from sigma1 receptor in Hartley guinea pig brain" "CHEMBL" "=" "Cavia porcellus" "haloperidol" 1353 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.26 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "5-hydroxytryptamine receptor 2A" "GPCR" "P50129" "HTR2A" "5HT2A_PIG" 7.52 "Ki" "Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes" "CHEMBL" "=" "Sus scrofa" "haloperidol" 1353 "D(3) dopamine receptor" "GPCR" "P52703" "DRD3" "DRD3_CHLAE" 8.52 "Ki" "Displacement of [3H]-YM 09151 from african monkey Dopamine receptor D3" "CHEMBL" "=" "Chlorocebus aethiops" "haloperidol" 1353 "Vesicular acetylcholine transporter" "Transporter" "Q62666" "Slc18a3" "VACHT_RAT" 6.41 "Ki" "Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "AP-2 complex subunit sigma" "Unclassified" "P62744" "Ap2s1" "AP2S1_RAT" 7.62 "Ki" "Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 5.13 "Ki" "In vitro binding affinity against Muscarinic acetylcholine receptors in rat brain." "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 5.92 "Ki" "Binding affinity was measured against opioid receptor in rat using [3H]naloxone as radioligand" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 4.7 "IC50" "Binding affinity against serotonin-1 receptor in rat brain using [3H]5-HT" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.57 "Ki" "Half-maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor in rat frontal cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD2|DRD1" "DRD2_BOVIN|DRD1_BOVIN" 8.74 "IC50" "Inhibition of [3H]haloperidol binding to Dopamine receptor in calf caudate nuclei." "CHEMBL" "=" "Bos taurus" "haloperidol" 1353 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 8.7 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.92 "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" "haloperidol" 1353 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.38 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "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" 5.64 "IC50" "Inhibition of dopamine-sensitive rat brain adenylyl cyclase activity assessed as cAMP level" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Serotonin 2 (5-HT2) receptor" "GPCR" "P34968|P35363|Q02152" "Htr2c|Htr2a|Htr2b" "5HT2C_MOUSE|5HT2A_MOUSE|5HT2B_MOUSE" 7.58 "Ki" "Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin." "CHEMBL" "=" "Mus musculus" "haloperidol" 1353 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.1 "EC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "haloperidol" 1353 "Histone H1.0" "Nuclear other" "P07305" "H1F0" "H10_HUMAN" 6.11 "Ki" "Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors." "CHEMBL" "=" "Homo sapiens" "haloperidol" 1353 "Transmembrane protein 97" "Enzyme" "Q5BJF2" "TMEM97" "TMM97_HUMAN" 7.8 "Ki" "Displacement of [3H]-DTG from sigma 2 receptor (unknown origin) after 120 mins by liquid scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "haloperidol" 1353 "Sigma intracellular receptor 2" "Unclassified" "Q5U3Y7" "Tmem97" "SGMR2_RAT" 7.36 "Ki" "Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "haloperidol" 1353 "Zinc finger protein 664" "Unclassified" "Q60493" "ZNF664" "ZN664_CAVPO" 8.18 "Ki" "Displacement of [3H]-(+)-pentazocine from sigma1-type opioid receptor in guinea pig cortex membranes after 120 mins by solid scintillation counting" "CHEMBL" "=" "Cavia porcellus" "haloperidol" 1353 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.42 "Kd" "radioligand [3H]spiperone 0.5nM competition binding; human recombinant dopaminereceptors in CHO cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/12388666" "INVERSE AGONIST" "Tchem" "Homo sapiens" "halopredone acetate" 1354 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01743" "AGONIST" "Tclin" "Homo sapiens" "haloprogin" 1355 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.55 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.339 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.366 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.561 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.16 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.866 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.73 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "haloprogin" 1355 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.6 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.78 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.231 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.805 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.9 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "haloprogin" 1355 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.338 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "haloprogin" 1355 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.309 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "haloprogin" 1355 "UDP-glucose 4-epimerase" "Enzyme" "Q14376" "GALE" "GALE_HUMAN" 6.3 "IC50" "Inhibition of human GalE by HPAEC assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "halothane" 1356 "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/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" "halothane" 1356 "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/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" "halothane" 1356 "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/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" "halothane" 1356 "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/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" "halothane" 1356 "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/CHEMBL931" "OPENER" "Tclin" "Homo sapiens" "halothane" 1356 "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/CHEMBL931" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "halothane" 1356 "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/CHEMBL931" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "heparin" 1358 "Antithrombin-III" "Secreted" "P01008" "SERPINC1" "ANT3_HUMAN" 7.85 "Kd" "Catalyses the inactivation of coagulation proteases by activatted antithrombin-III" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1909300" "ACTIVATOR" "Tclin" "Homo sapiens" "heparin" 1358 "Spike glycoprotein" "Glycoprotein" "P0DTC2" "S" "SPIKE_SARS2" 10.14 "Kd" "Binding affinity of trimeric SARS-CoV-2 spike protein to immobilized heparin." "IUPHAR" "=" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "heparin" 1358 "Spike glycoprotein" "Unclassified" "P0DTC2" "S" "SPIKE_SARS2" 10.14 "Kd" "Binding affinity of trimeric SARS-CoV-2 spike protein to immobilized heparin." "IUPHAR" "=" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "hesperetin" 1362 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.99 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "hesperetin" 1362 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.34 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "hesperetin" 1362 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.48 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "hesperetin" 1362 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 6.55 "IC50" "Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hesperetin" 1362 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 4.57 "IC50" "Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hesperetin" 1362 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 6.29 "IC50" "Inhibition of human CYP1B1 by EROD assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "hesperetin" 1362 "Replicase polyprotein 1ab" "Enzyme" "P0C6X7" "rep" "R1AB_CVHSA" 5.08 "IC50" "Inhibition of SARS coronavirus 3C-like protease cis-cleavage activity transfected in african green monkey Vero cells by luciferase reporter gene assay" "CHEMBL" "=" "Human SARS coronavirus" "hesperetin" 1362 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.1 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "hesperetin" 1362 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.1 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "hetacillin" 1363 "Penicillin-binding protein" "Enzyme" "Q54618|Q75Y37|Q75Y54|Q75YD8|Q75YK0|Q9RET4" "pbp2b|pbp3|PBP2X|pbp2a|pbp1b|pbp1a" "Q54618_STREE|Q75Y37_STREE|Q75Y54_STREE|Q75YD8_STREE|Q75YK0_STREE|Q9RET4_STREE" "Mechanism of Action; CHEMBL2362973; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201116" "INHIBITOR" "Streptococcus pneumoniae" "hexachlorophene" 1364 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.212 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "hexachlorophene" 1364 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.191 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.043 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.686 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.636 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.441 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.618 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.994 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.442 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.67 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.521 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 7.01 "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" "hexachlorophene" 1364 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.882 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.126 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.911 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "D-lactate dehydrogenase" "Enzyme" "P06149" "dld" "DLD_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "hexachlorophene" 1364 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.614 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.459 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.479 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hexachlorophene" 1364 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.51 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.605 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 7.057 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "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" "hexachlorophene" 1364 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.479 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "hexachlorophene" 1364 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.708 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P0AEK4" "fabI" "FABI_ECOLI" "Mechanism of Action; CHEMBL2364678; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL496" "INHIBITOR" "Escherichia coli (strain K12)" "hexachlorophene" 1364 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.72 "EC50" "Inconclusive" "CHEMBL" "=" "Caenorhabditis elegans" "hexachlorophene" 1364 "Transitional endoplasmic reticulum ATPase" "Enzyme" "P55072" "VCP" "TERA_HUMAN" 5.26 "IC50" "PUBCHEM_BIOASSAY: Dose response biochemical high throughput screening assay for inhibitors of the p97 ATPase. (Class of assay: confirmatory) [Related pubchem assays: 1481, 1517 ]" "CHEMBL" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "Heat shock cognate 71 kDa protein" "Unclassified" "P11142" "HSPA8" "HSP7C_HUMAN" 4.56 "IC50" "PUBCHEM_BIOASSAY: High Throughput Screening Assay for Hsc70 Inhibitors. (Class of assay: confirmatory) " "CHEMBL" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "Heat shock 70 kDa protein 1A" "Unclassified" "P0DMV8" "HSPA1A" "HS71A_HUMAN" 4.72 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "M1-family alanyl aminopeptidase" "Enzyme" "Q8IEK1" "Q8IEK1_PLAF7" 4.24 "IC50" "Active" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "hexachlorophene" 1364 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.34 "EC50" "Inconclusive" "CHEMBL" "=" "Caenorhabditis elegans" "hexachlorophene" 1364 "Envelope glycoprotein gp160" "Viral envelope protein" "Q75760" "env" "Q75760_9HIV1" 5.14 "IC50" "Active" "CHEMBL" "=" "Human immunodeficiency virus 1" "hexachlorophene" 1364 "Macrophage migration inhibitory factor" "Unclassified" "P14174" "MIF" "MIF_HUMAN" 5.26 "Ki" "Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed by substrate addition measured for 3 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "hexachlorophene" 1364 "N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D" "Unclassified" "Q6IQ20" "NAPEPLD" "NAPEP_HUMAN" 5.01 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "hexachlorophene" 1364 "78 kDa glucose-regulated protein" "Unclassified" "P11021" "HSPA5" "GRP78_HUMAN" 5.04 "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 100 uM ADP followed by further incubation for 2 hrs by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "hexafluronium" 1365 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" "Mechanism of Action; CHEMBL220; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200933" "INHIBITOR" "Tclin" "Homo sapiens" "hexafluronium" 1365 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.89 "Ki" "Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Electrophorus electricus" "hexafluronium" 1365 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 6.47 "Ki" "Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Equus caballus" "hexamethonium" 1366 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 4.66 "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" "hexamethonium" 1366 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 4.54 "IC50" "GRAC: human AChR-alpha4-beta2 channel blocker" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "hexamethonium" 1366 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" 4.04 "IC50" "GRAC: human AChR-alpha4-beta4 channel blocker" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "hexamethonium" 1366 "Acetylcholine receptor" "Ion channel" "P02710|P02712|P02714|P02718" "CHRNA1|CHRNB1|CHRNG|chrnd" "ACHA_TORCA|ACHB_TORCA|ACHG_TORCA|ACHD_TORCA" 5.74 "Kd" "Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)" "CHEMBL" "=" "Torpedo californica" "hexamethonium" 1366 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P43681" "CHRNA4" "ACHA4_HUMAN" 5.17 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "hexamethonium" 1366 "Neuronal acetylcholine receptor subunit alpha-6" "Ion channel" "Q15825" "CHRNA6" "ACHA6_HUMAN" 4.04 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "hexestrol" 1368 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 10.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "hexobarbital" 1369 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "hexobarbital" 1369 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "hexobarbital" 1369 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "hexobarbital" 1369 "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" "hexobendine" 1370 "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" "hexocyclium" 1371 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201325" "ANTAGONIST" "Tclin" "Homo sapiens" "hexocyclium" 1371 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "hexocyclium" 1371 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201325" "ANTAGONIST" "Tclin" "Homo sapiens" "hexocyclium" 1371 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "hexocyclium" 1371 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "hexocyclium" 1371 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "hexylcaine" 1373 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.15 "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" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1197" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "hexylresorcinol" 1374 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 5.55 "IC50" "Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubated for 15 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "hexylresorcinol" 1374 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 6.25 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "hexylresorcinol" 1374 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 6.01 "IC50" "Inhibition of mushroom tyrosine kinase assessed as oxidation of 0.25 mM L-3,4-dihydroxyphenylalanine" "CHEMBL" "=" "Agaricus bisporus" "histamine" 1375 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 4.1 "Ki" "Displacement of [3H]mepyramine from human wild-type histamine H1 receptor expressed in COS-7 cells by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1533310" "AGONIST" "Tclin" "Homo sapiens" "histamine" 1375 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.3 "Ki" "Displacement of [125I]iodoaminopotentidine from human histamine H2 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "histamine" 1375 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 8.1 "Ki" "Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2" "CHEMBL" "=" "Tchem" "Homo sapiens" "histamine" 1375 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.508 "Ki" "PDSP" "Tclin" "Homo sapiens" "histamine" 1375 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 8.28 "Ki" "Displacement of [3H[N-alpha-methylhistamine form human recombinant histamine H3 receptor expressed in CHO cells after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "histamine" 1375 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 6.7 "EC50" "CHEMBL" "=" "Cavia porcellus" "histamine" 1375 "Histamine H2 receptor" "GPCR" "P47747" "HRH2" "HRH2_CAVPO" 6 "EC50" "Agonist activity at guinea pig atrium histamine H2 receptor assessed as potentiation of histamine-induced response after 30 mins" "CHEMBL" "=" "Cavia porcellus" "histamine" 1375 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 5.35 "EC50" "CHEMBL" "=" "Rattus norvegicus" "histamine" 1375 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 8.2 "Ki" "CHEMBL" "=" "Rattus norvegicus" "histamine" 1375 "Histamine H3 receptor" "GPCR" "P58406" "Hrh3" "HRH3_MOUSE" 7.17 "Ki" "Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HEK293 cells" "CHEMBL" "=" "Mus musculus" "histamine" 1375 "Histamine H4 receptor" "GPCR" "Q91ZY2" "Hrh4" "HRH4_MOUSE" 7.1 "Ki" "Binding affinity to mouse histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay" "CHEMBL" "=" "Mus musculus" "histamine" 1375 "Histamine H4 receptor" "GPCR" "Q91ZY1" "Hrh4" "HRH4_RAT" 7.2 "Ki" "Binding affinity to rat histamine H4 receptor expressed in human SK-N-MC cells by radioligand displacement assay" "CHEMBL" "=" "Rattus norvegicus" "histamine" 1375 "Histamine H3 receptor" "GPCR" "Q9JI35" "HRH3" "HRH3_CAVPO" 9.84 "Ki" "CHEMBL" "=" "Cavia porcellus" "histamine" 1375 "Histamine H4 receptor" "GPCR" "Q91ZY3" "HRH4" "Q91ZY3_CAVPO" 8.22 "Ki" "CHEMBL" "=" "Cavia porcellus" "histidine" 1377 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 4.7 "IC50" "Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH" "CHEMBL" "=" "Tbio" "Homo sapiens" "homatropine" 1379 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.495 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "homatropine" 1379 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.125 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "homatropine" 1379 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.796 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "homatropine" 1379 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.854 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "homatropine" 1379 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.409 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hycanthone" 1383 "DNA-(apurinic or apyrimidinic site) lyase" "Enzyme" "P27695" "APEX1" "APEX1_HUMAN" 8 "Kd" "Binding affinity to full length human APE1 expressed in Escherichia coli BL21/DE3" "CHEMBL" "=" "Tchem" "Homo sapiens" "hydralazine" 1384 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.41 "IC50" "Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "hydralazine" 1384 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydralazine" 1384 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydralazine" 1384 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydralazine" 1384 "DNA (cytosine-5)-methyltransferase 3B" "Enzyme" "Q9UBC3" "DNMT3B" "DNM3B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "hydralazine" 1384 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 6.05 "IC50" "Irreversible inhibition of MPO (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "hydralazine" 1384 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.438 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "hydralazine" 1384 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.15 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "Electrophorus electricus" "hydralazine" 1384 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.72 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "Equus caballus" "hydralazine" 1384 "Lactoperoxidase" "Enzyme" "P80025" "LPO" "PERL_BOVIN" 5.92 "IC50" "Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins" "CHEMBL" "=" "Bos taurus" "hydralazine" 1384 "Ryanodine receptor 2" "Ion channel" "B0LPN4" "Ryr2" "RYR2_RAT" 7.152 "IC50" "sarcoplasmic reticulum diastolic Ca2+ leakage" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23319593" "Rattus norvegicus" "hydralazine" 1384 "Ryanodine receptor 2" "Ion channel" "Q92736" "RYR2" "RYR2_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23319593" "https://pubmed.ncbi.nlm.nih.gov/23319593" "BLOCKER" "Tclin" "Homo sapiens" "hydrochlorothiazide" 1385 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "hydrochlorothiazide" 1385 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7.01 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL435" "INHIBITOR" "Tclin" "Homo sapiens" "hydrochlorothiazide" 1385 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.48 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydrochlorothiazide" 1385 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydrochlorothiazide" 1385 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydrochlorothiazide" 1385 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.4 "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" "hydrochlorothiazide" 1385 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 5.37 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "hydrochlorothiazide" 1385 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 7.5 "Ki" "CHEMBL" "=" "Anopheles gambiae" "hydrochlorothiazide" 1385 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.53 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "hydrochlorothiazide" 1385 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.14 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "hydrocodone" 1386 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.02 "Ki" "Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1457" "AGONIST" "Tclin" "Homo sapiens" "hydrocodone" 1386 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.59 "Ki" "Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "hydrocortamate" 1387 "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/CHEMBL1201263" "AGONIST" "Tclin" "Homo sapiens" "hydrocortisone" 1388 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL389621" "AGONIST" "Tclin" "Homo sapiens" "hydrocortisone" 1388 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "hydrocortisone" 1388 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.95 "IC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "hydrocortisone" 1388 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 8 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "hydrocortisone" 1388 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.881 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "hydrocortisone" 1388 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "hydrocortisone" 1388 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 7.37 "Kd" "Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs" "CHEMBL" "=" "Mus musculus" "hydrocortisone cypionate" 1390 "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/CHEMBL1549" "AGONIST" "Tclin" "Homo sapiens" "hydroflumethiazide" 1392 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7.37 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1763" "INHIBITOR" "Tclin" "Homo sapiens" "hydromorphone" 1393 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.55 "Ki" "Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL398707" "AGONIST" "Tclin" "Homo sapiens" "hydromorphone" 1393 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.55 "Ki" "Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydromorphone" 1393 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.42 "Ki" "Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydromorphone" 1393 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 9 "EC50" "Binding affinity to opioid receptor in rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "hydroxyamfetamine" 1394 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 3.1 "Kd" "Binding affinity to BACE1 by surface plasmon resonance method" "CHEMBL" "=" "Tchem" "Homo sapiens" "hydroxyamfetamine" 1394 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.3 "EC50" "Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay" "CHEMBL" "=" "Rattus norvegicus" "hydroxyamfetamine" 1394 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.529 "EC50" "(S) enantiomer activation of hTAAR1 in RD-HGA16 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22037049" "https://pubmed.ncbi.nlm.nih.gov/22037049" "AGONIST" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.19 "Ki" "Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.9 "Ki" "Displacement of [3H]-pentazocin from the Sigma1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 4.14 "Ki" "Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.81 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.979 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.32 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.26 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 4.7 "Ki" "Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 4.8 "Ki" "Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.63 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Toll-like receptor 7" "Membrane receptor" "Q9NYK1" "TLR7" "TLR7_HUMAN" 5.56 "IC50" "Inhibition of hTLR7 R848-induced luciferase reporter gene activation." "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1535" "ANTAGONIST" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Toll-like receptor 9" "Membrane receptor" "Q9NR96" "TLR9" "TLR9_HUMAN" 7.1 "IC50" "Inhibition of hTLR9 CpG2006-induced luciferase reporter gene activation." "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1535" "ANTAGONIST" "Tclin" "Homo sapiens" "hydroxychloroquine" 1395 "Transmembrane protein 97" "Enzyme" "Q5BJF2" "TMEM97" "TMM97_HUMAN" 6 "Ki" "Displacement of [3H]-DTG from the Sigma2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "hydroxystilbamidine" 1398 "Trypsin" "Enzyme" "P00761" "TRYP_PIG" 5.5 "AC50" "Active" "CHEMBL" "=" "Sus scrofa" "hydroxycarbamide" 1399 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.55 "Ki" "Inhibition of human CA2" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxycarbamide" 1399 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.64 "Ki" "Inhibition of human CA9" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxycarbamide" 1399 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL467" "INHIBITOR" "Tclin" "Homo sapiens" "hydroxycarbamide" 1399 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL467" "INHIBITOR" "Tclin" "Homo sapiens" "hydroxycarbamide" 1399 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.51 "Ki" "Inhibition of human CA5a" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxyzine" 1400 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.42 "Ki" "Binding affinity to D2 receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxyzine" 1400 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.3 "Ki" "Binding affinity to 5-HT2A receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroxyzine" 1400 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL896" "ANTAGONIST" "Tclin" "Homo sapiens" "hydroxyzine" 1400 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.409 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "hydroxyzine" 1400 "Envelope glycoprotein gp160" "Viral envelope protein" "Q75760" "env" "Q75760_9HIV1" 5.2 "IC50" "Active" "CHEMBL" "=" "Human immunodeficiency virus 1" "hymecromone" 1401 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.09 "IC50" "Inhibition of human recombinant MAOB by fluorimetric method" "CHEMBL" "=" "Tclin" "Homo sapiens" "hymecromone" 1401 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.61 "IC50" "Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "hymecromone" 1401 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.25 "Ki" "Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hymecromone" 1401 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.09 "Ki" "Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hymecromone" 1401 "Testosterone 17-beta-dehydrogenase 3" "Enzyme" "P37058" "HSD17B3" "DHB3_HUMAN" 6 "IC50" "Inhibition of human 17beta-HSD3 expressed in HeLa cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "hymecromone" 1401 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.21 "IC50" "Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)" "CHEMBL" "=" "Rattus norvegicus" "hyoscyamine" 1402 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00147" "ANTAGONIST" "Tclin" "Homo sapiens" "hyoscyamine" 1402 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.3 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00147" "ANTAGONIST" "Tclin" "Homo sapiens" "hyoscyamine" 1402 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.8 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00147" "ANTAGONIST" "Tclin" "Homo sapiens" "hyoscyamine" 1402 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "hyoscyamine" 1402 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ibandronic acid" 1404 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 8.44 "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/CHEMBL997" "INHIBITOR" "Tclin" "Homo sapiens" "ibandronic acid" 1404 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "O95749" "GGPS1" "GGPPS_HUMAN" 4.1 "IC50" "Inhibition of human recombinant geranylgeranyl diphosphate synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "ibandronic acid" 1404 "Squalene synthase" "Enzyme" "Q02769" "Fdft1" "FDFT_RAT" 6.19 "IC50" "Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "ibandronic acid" 1404 "Farnesyl pyrophosphate synthase" "Enzyme" "P05369" "Fdps" "FPPS_RAT" 5.13 "IC50" "in vitro using kidney cell lines" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" 7.19 "IC50" "Inhibition of human PDE4B" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 7.27 "IC50" "Inhibition of human PDE4A" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 6.78 "IC50" "Inhibition of human PDE4D" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibudilast" 1406 "cAMP-specific 3',5'-cyclic phosphodiesterase 4C" "Enzyme" "Q08493" "PDE4C" "PDE4C_HUMAN" 6.62 "IC50" "Inhibition of human PDE4C" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.14 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL521" "INHIBITOR" "Tclin" "Homo sapiens" "ibuprofen" 1407 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.12 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL521" "INHIBITOR" "Tclin" "Homo sapiens" "ibuprofen" 1407 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.3 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ibuprofen" 1407 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.37 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ibuprofen" 1407 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 4.48 "IC50" "Inhibition of recombinant human AKR1C3" "CHEMBL" "=" "Tchem" "Homo sapiens" "ibuprofen" 1407 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "ibuprofen" 1407 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.32 "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" "ibuprofen" 1407 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.3 "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" "ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 6.07 "IC50" "Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay" "CHEMBL" "=" "Mus musculus" "ibuprofen" 1407 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.05 "Ki" "Inhibition of sheep placental cotyledons COX1" "CHEMBL" "=" "Ovis aries" "ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "O62698" "PTGS2" "PGH2_BOVIN" 5.96 "IC50" "Inhibition of bovine COX2 by enzyme immunoassay" "CHEMBL" "=" "Bos taurus" "ibuprofen" 1407 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 4.89 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "Mus musculus" "ibuprofen" 1407 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.05 "Ki" "Inhibition of sheep placental cotyledons COX2" "CHEMBL" "=" "Ovis aries" "ibuprofen" 1407 "Serum albumin" "Secreted" "P02769" "ALB" "ALBU_BOVIN" 5.52 "IC50" "Binding affinity to bovine serum albumin" "CHEMBL" "=" "Bos taurus" "ibuprofen" 1407 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.33 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "ibuprofen" 1407 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 5.54 "IC50" "Inhibition of bovine COX1 by enzyme immunoassay" "CHEMBL" "=" "Bos taurus" "ibuprofen" 1407 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 5.96 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "ibuprofen" 1407 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 5.7 "IC50" "Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line" "CHEMBL" "=" "Rattus norvegicus" "ibuprofen" 1407 "Sodium-coupled monocarboxylate transporter 1" "Transporter" "Q8N695" "SLC5A8" "SC5A8_HUMAN" 4.2 "IC50" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "ibuprofen" 1407 "Dehydrogenase/reductase SDR family member 9" "Enzyme" "Q8VD48" "Dhrs9" "DHRS9_RAT" 4 "IC50" "Inhibition of rat liver 3-alpha-HSD assessed as 5-beta-dihydrocortisone reduction" "CHEMBL" "=" "Rattus norvegicus" "ibuprofen" 1407 "Acid-sensing ion channel 1" "Ion channel" "P78348" "ASIC1" "ASIC1_HUMAN" 3.53 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/28949138" "BLOCKER" "Tchem" "Homo sapiens" "ibuproxam" 1411 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.32 "IC50" "In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells" "CHEMBL" "=" "Rattus norvegicus" "ibuproxam" 1411 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 5 "IC50" "Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line" "CHEMBL" "=" "Rattus norvegicus" "ibutilide" 1412 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "BLOCKER" "Tclin" "Homo sapiens" "icosapent ethyl" 1413 "Diacylglycerol O-acyltransferase 1" "Enzyme" "O75907" "DGAT1" "DGAT1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/202057s009lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/202057s009lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "idarubicin" 1414 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "idarubicin" 1414 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1117" "INHIBITOR" "Tclin" "Homo sapiens" "idarubicin" 1414 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "idebenone" 1416 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.155 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "idebenone" 1416 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.523 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "idebenone" 1416 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.301 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "idebenone" 1416 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "idoxuridine" 1417 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 7.05 "Ki" "Binding affinity constant against HSV-1 thymidine kinase" "CHEMBL" "=" "Tchem" "Homo sapiens" "idoxuridine" 1417 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 5.82 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "Cercopithecine herpesvirus 1" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" 4.4 "IC50" "Negative allosteric modulation of human GluN2A receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.41 "IC50" "Compound was tested for the binding affinity against sigma receptor by using [3H]-+3PPP as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6 "IC50" "Compound was tested for the binding affinity against histamine H1 receptor by using [3H]mepyramine as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" 7.7 "IC50" "Inhibition of NMDA receptor GluN2B subunit (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" 4.54 "IC50" "Negative allosteric modulation of human GluN2C receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2D" "Ion channel" "O15399" "GRIN2D" "NMDE4_HUMAN" 4.12 "IC50" "Negative allosteric modulation of human GluN2D receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 7.14 "IC50" "Inhibition of rat recombinant NR1/NR2B receptor expressed in Xenopus oocytes assessed as inhibition of glutamate and glycine-induced evoked current by two electrode voltage clamp method" "CHEMBL" "=" "Rattus norvegicus" "ifenprodil" 1419 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 8.7 "Ki" "Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "ifenprodil" 1419 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 6.96 "IC50" "Compound was tested for the binding affinity against Alpha-1 adrenergic receptor by using [3H]prazosin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "ifenprodil" 1419 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.62 "IC50" "Compound was tested for the binding affinity against 5-hydroxytryptamine 1A receptor by using [3H]DPAT as radioligand" "CHEMBL" "=" "Mus musculus" "ifenprodil" 1419 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 6.21 "IC50" "Compound was tested for the binding affinity against 5-hydroxytryptamine 2 receptor by using [3H]ketanserin as radioligand" "CHEMBL" "=" "Bos taurus" "ifenprodil" 1419 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 8.99 "Ki" "Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor after 150 mins by scintillation counting analysis" "CHEMBL" "=" "Cavia porcellus" "ifenprodil" 1419 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDZ1_HUMAN|NMDE2_HUMAN" 8 "Ki" "Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ifenprodil" 1419 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7 "IC50" "Compound was tested for the binding affinity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "ifenprodil" 1419 "Glutamate [NMDA] receptor subunit epsilon 2" "Ion channel" "Q00960" "Grin2b" "NMDE2_RAT" 7.96 "Ki" "Displacement of [3H]ifenprodil from rat brain membrane NR2B receptor" "CHEMBL" "=" "Rattus norvegicus" "ifenprodil" 1419 "3-beta-hydroxysteroid-delta(8),delta(7)-isomerase" "Unclassified" "Q60490" "EBP" "EBP_CAVPO" 8.57 "Ki" "Inhibition of [3H]-emopamil binding to Sterol delta 8-delta 7 isomerase in guinea pig liver membrane" "CHEMBL" "=" "Cavia porcellus" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2D" "Ion channel" "O15399" "GRIN2D" "NMDE4_HUMAN" 4.12 "IC50" "Negative allosteric modulation of human GluN2D receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" 4.4 "IC50" "Negative allosteric modulation of human GluN2A receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" 4.54 "IC50" "Negative allosteric modulation of human GluN2C receptor expressed in xenopus laevis oocytes assessed as reduction in 3 uM glycine-induced channel current at -40 mV holding potential by two electrode voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "ifenprodil" 1419 "Sigma intracellular receptor 2" "Unclassified" "Q5U3Y7" "Tmem97" "SGMR2_RAT" 7.01 "Ki" "Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 120 mins by scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "iloprost" 1422 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 7.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloprost" 1422 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 7.3 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloprost" 1422 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.75 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL494" "AGONIST" "Tclin" "Homo sapiens" "iloprost" 1422 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 5.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "iloprost" 1422 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 5.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "iloprost" 1422 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 6.68 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "iloprost" 1422 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 6.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "iloprost" 1422 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "iloprost" 1422 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "iloprost" 1422 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62053" "Ptger2" "PE2R2_MOUSE" 5.8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "iloprost" 1422 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 7.66 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "iloprost" 1422 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P32240" "Ptger4" "PE2R4_MOUSE" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "iloprost" 1422 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "Q62928" "Ptger2" "PE2R2_RAT" 5.9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "iloprost" 1422 "Prostacyclin receptor" "GPCR" "P43252" "Ptgir" "PI2R_MOUSE" 8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "iloprost" 1422 "Prostacyclin receptor" "GPCR" "P43253" "Ptgir" "PI2R_RAT" 9.16 "EC50" "Agonist activity at recombinant rat IP receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by HTRF method" "CHEMBL" "=" "Rattus norvegicus" "iloprost" 1422 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P34980" "Ptger3" "PE2R3_RAT" 9.2 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "iloprost" 1422 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P70597" "Ptger1" "PE2R1_RAT" 7.9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "imatinib" 1423 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.14 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.128 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.268 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.714 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.52 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "imatinib" 1423 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.47 "IC50" "Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.5 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.34 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 6.4 "IC50" "Competitive inhibition of human recombinant NQO2-mediated mitomycin C metabolism using NADH as cosubstrate incubated for 5 mins prior to NADH addition measured after 30 mins by Michaelis-Menten plot analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.12 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.01 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.85 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "INHIBITOR" "Tclin" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8.96 "Kd" "Binding constant for ABL1-non phosphorylated kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "INHIBITOR" "Tclin" "Homo sapiens" "imatinib" 1423 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.89 "Kd" "Binding constant for KIT kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL941" "INHIBITOR" "Tclin" "Homo sapiens" "imatinib" 1423 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.12 "Kd" "Binding constant for EGFR(L747-E749del, A750P) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.69 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.77 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.96 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 4.51 "Ki" "Inhibition of recombinant human c-Src" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.4 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.51 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 5.77 "Kd" "Binding constant for RAF1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.48 "Kd" "Binding constant for BRAF(V600E) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.2 "Kd" "Binding constant for FLT3(ITD) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 4.59 "IC50" "Inhibition of VEGFR2 by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.96 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.51 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5 "Ki" "PDSP" "=" "AGONIST" "Tclin" "Homo sapiens" "imatinib" 1423 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.703 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.49 "Kd" "Average Binding Constant for JNK1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.28 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.41 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.51 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.3 "IC50" "Inhibition of recombinant Syk" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 5.85 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.05 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.33 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 5.11 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 8.22 "Kd" "Binding affinity to human active site of N-terminal hexahistidine-tagged ABL2 expressed in Trichoplusia ni infected Sf9 cells by isothermal titration calorimetric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.55 "Kd" "Average Binding Constant for STK17A; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.62 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.86 "IC50" "Inhibition of p38alpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.82 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 5.35 "Kd" "Average Binding Constant for CLK1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.68 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.28 "Kd" "Average Binding Constant for JNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 9.15 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Lysine--tRNA ligase" "Enzyme" "Q15046" "KARS" "SYK_HUMAN" 5.3 "Ki" "Inhibition of SYK" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.13 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "imatinib" 1423 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.11 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "imatinib" 1423 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.06 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "imatinib" 1423 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 5.56 "IC50" "Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay" "CHEMBL" "=" "Gallus gallus" "imatinib" 1423 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 5.59 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 5.72 "Kd" "Binding constant for full-length MELK" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 5.37 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 7.82 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.28 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 5.26 "Kd" "Binding constant for CDK11 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase ABL1" "Kinase" "P00520" "Abl1" "ABL1_MOUSE" 7.97 "IC50" "Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay" "CHEMBL" "=" "Mus musculus" "imatinib" 1423 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.02 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.92 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 6.42 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "imatinib" 1423 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.38 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 7.4 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.46 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.59 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "imatinib" 1423 "Platelet-derived growth factor receptor" "Kinase" "P09619|P16234" "PDGFRB|PDGFRA" "PGFRB_HUMAN|PGFRA_HUMAN" 7.3 "IC50" "Inhibition of the platelet-derived growth factor receptor." "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "imatinib" 1423 "Tyrosine-protein kinase ABL" "Kinase" "P00519|P42684" "ABL1|ABL2" "ABL1_HUMAN|ABL2_HUMAN" 7.4 "IC50" "Inhibition of Abl tyrosine kinase" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "imatinib" 1423 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 7.85 "Ki" "Inhibition of Bcr-Abl" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "imatinib" 1423 "Platelet-derived growth factor receptor beta" "Kinase" "Q05030" "Pdgfrb" "PGFRB_RAT" 6.79 "IC50" "Inhibition of PDGFR-beta driven proliferation of rat A10 cells after 68 hrs in presence of rat recombinant PDGF-BB by cell titer-glo luminescence assay" "CHEMBL" "=" "Rattus norvegicus" "imidapril" 1424 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 5 "IC50" "Inhibitory activity on Angiotensin I converting enzyme (ACE) obtained from pig renal cortex and hippuryl-histidyl-leucine as substrate" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1666418" "INHIBITOR" "Tclin" "Homo sapiens" "imipenem" 1426 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" 7.3 "IC50" "WOMBAT-PK" "=" "Staphylococcus aureus" "imipenem" 1426 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" 7 "IC50" "WOMBAT-PK" "=" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" "imipenem" 1426 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 7.22 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "Citrobacter freundii" "imipenem" 1426 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 6.82 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "Pseudomonas aeruginosa" "imipenem" 1426 "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/CHEMBL43708" "INHIBITOR" "Escherichia coli (strain K12)" "imipramine" 1427 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.173 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.284 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.9 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.854 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "INHIBITOR" "Tclin" "Homo sapiens" "imipramine" 1427 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.432 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL11" "INHIBITOR" "Tclin" "Homo sapiens" "imipramine" 1427 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.237 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.825 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.796 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.495 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.412 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.614 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.377 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.08 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.222 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.951 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.081 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.071 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "imipramine" 1427 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.36 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "imipramine" 1427 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "imipramine" 1427 "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" "imipramine" 1427 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 5.7 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "imipramine" 1427 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.77 "IC50" "Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.38 "Ki" "Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 7.92 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 7.38 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "imipramine" 1427 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 7.92 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "imipramine" 1427 "5-hydroxytryptamine receptor 2C" "GPCR" "P34968" "Htr2c" "5HT2C_MOUSE" 6.8 "Ki" "Binding affinity to 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "Mus musculus" "imipramine" 1427 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 6.14 "Ki" "Binding affinity to Dopamine receptor D2 using [3H]spiperone as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "Mus musculus" "imipramine" 1427 "Sodium-dependent serotonin transporter" "Transporter" "Q60857" "Slc6a4" "SC6A4_MOUSE" 8.3 "Ki" "Binding affinity to Serotonin transporter using [3H]-paroxetine as radioligand in stably transfected NIH3T3 cells" "CHEMBL" "=" "Mus musculus" "imipramine" 1427 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 10.22 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Muscarinic acetylcholine receptor M5" "GPCR" "P08911" "Chrm5" "ACM5_RAT" 6.52 "IC50" "Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membranes of rat brain without cerebellum" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.66 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "imipramine" 1427 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.222 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "imipramine" 1427 "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" 4.85 "IC50" "Inhibition of [3H]MK-801 binding to NMDA receptor of rat cerebral cortical synaptic membrane" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 7.19 "Ki" "Binding affinity against Muscarinic acetylcholine receptor was determined in homogenized rat cortex tissue using [3H]N-methylscopolamine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "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" 7.36 "IC50" "Compound was tested for its inhibitory activity against 5-hydroxytryptamine receptor" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 6.59 "Ki" "In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscine" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 6.19 "IC50" "Concentration of compound for 50% displacement of [3H]spiperone from Dopamine receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.34 "Ki" "In vitro binding affinity at Alpha-1 adrenergic receptor by radioligand binding assay using [3H]prazosin" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.44 "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" "imipramine" 1427 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 7.64 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Rattus norvegicus" "imipramine" 1427 "G protein-activated inward rectifier potassium channel 4" "Ion channel" "P48545" "Kcnj5" "KCNJ5_MOUSE" 4.5 "EC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "imipramine" 1427 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.3 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "imipramine" 1427 "Sphingomyelin phosphodiesterase" "Enzyme" "P17405" "SMPD1" "ASM_HUMAN" 5.3 "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" "imiquimod" 1429 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.525 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "imiquimod" 1429 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.829 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "imiquimod" 1429 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.89 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "imiquimod" 1429 "Toll-like receptor 7" "Membrane receptor" "Q9NYK1" "TLR7" "TLR7_HUMAN" 4.97 "EC50" "Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1282" "AGONIST" "Tclin" "Homo sapiens" "incadronic acid" 1431 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 6.8 "IC50" "Inhibitory activity against Leishmania major Farnesyl diphosphate synthase" "CHEMBL" "=" "Leishmania donovani" "incadronic acid" 1431 "Vacuolar-type proton translocating pyrophosphatase 1" "Unclassified" "Q8MTZ4" "PPase1" "Q8MTZ4_9TRYP" 4.35 "IC50" "Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli" "CHEMBL" "=" "Trypanosoma brucei" "incadronic acid" 1431 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.523 "IC50" "inhibition of human recombinant FPP synthase" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11160603" "https://pubmed.ncbi.nlm.nih.gov/11160603" "INHIBITOR" "Tclin" "Homo sapiens" "indalpine" 1432 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.7 "Ki" "Effect of compound on Serotonin transporter uptake from rat cortex using [3H]citalopram as radioligand" "CHEMBL" "=" "Rattus norvegicus" "indapamide" 1433 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.7 "Kd" "Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7.54 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL406" "INHIBITOR" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5 "Kd" "Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.67 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.44 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Potassium voltage-gated channel subfamily KQT member 1" "Ion channel" "P51787" "KCNQ1" "KCNQ1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.05 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.56 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 9.64 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.6 "Kd" "Binding affinity to human recombinant carbonic anhydrase 6 expressed in Escherichia coli Rosetta2 (DE3) by thermal shift assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.31 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "indapamide" 1433 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.535 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "indapamide" 1433 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.89 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "indapamide" 1433 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7 "Kd" "Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "indecainide" 1434 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200341" "BLOCKER" "Tclin" "Homo sapiens" "indenolol" 1436 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "indenolol" 1436 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "indinavir" 1437 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.398 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "indinavir" 1437 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 9.222 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "indinavir" 1437 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.733 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "indinavir" 1437 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.77 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "indinavir" 1437 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.15 "Ki" "Inhibition of HIV-1 Protease activity" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL115" "INHIBITOR" "Human immunodeficiency virus 1" "indinavir" 1437 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 8.48 "Ki" "Binding affinity against HIV-2 protease enzyme." "CHEMBL" "=" "Human rhinovirus sp" "indinavir" 1437 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.77 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "indinavir" 1437 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.11 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "indinavir" 1437 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 9.27 "Ki" "CHEMBL" "=" "Human immunodeficiency virus 1" "indinavir" 1437 "Protease" "Unclassified" "O90781" "HIV-1 protease" "O90781_9PLVG" 9.06 "Ki" "Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus" "indinavir" 1437 "Protease" "Unclassified" "Q9YQ30" "HIV-1 protease" "Q9YQ30_9PLVG" 9.42 "Ki" "Inhibition of recombinant HIV protease expressed in inclusion bodies of Escherichia coli BL21 (DE3)" "CHEMBL" "=" "Human immunodeficiency virus" "indisetron" 1438 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.74 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19967488" "https://pubmed.ncbi.nlm.nih.gov/19967488" "ANTAGONIST" "Tclin" "Homo sapiens" "indobufen" 1439 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "indobufen" 1439 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.33 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "INHIBITOR" "Tclin" "Homo sapiens" "indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.21 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6" "INHIBITOR" "Tclin" "Homo sapiens" "indomethacin" 1440 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.49 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 4.92 "IC50" "Inhibition of human MRP1 in human 2008 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.85 "EC50" "Agonist activity at androgen receptor (unknown origin) expressed in HeLa cells co-expressing PSA-(ARE)4-Luc13 assessed as induction of DHT-induced luciferase activity after 20 mins by luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "indomethacin" 1440 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.53 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Dehydrogenase/reductase SDR family member 9" "Enzyme" "Q9BPW9" "DHRS9" "DHRS9_HUMAN" 4.85 "IC50" "Inhibition of 3alphaHSD" "CHEMBL" "=" "Tbio" "Homo sapiens" "indomethacin" 1440 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.22 "IC50" "In vitro inhibition of rabbit lens aldose reductase." "CHEMBL" "=" "Tclin" "Homo sapiens" "indomethacin" 1440 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.44 "IC50" "Inhibition of human recombinant AKR1C2-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol" "CHEMBL" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 7 "IC50" "Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol" "CHEMBL" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 7.38 "Kd" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "indomethacin" 1440 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.691 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "indomethacin" 1440 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.74 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Cytochrome c oxidase subunit 2" "Enzyme" "P00403" "MT-CO2" "COX2_HUMAN" 6.21 "IC50" "Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.3 "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" "indomethacin" 1440 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "indomethacin" 1440 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.44 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 8.19 "IC50" "IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines." "CHEMBL" "=" "Mus musculus" "indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 8.7 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase 1 in murine J774 cells" "CHEMBL" "=" "Mus musculus" "indomethacin" 1440 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 5.3 "IC50" "Inhibition of Aldose reductase (AR)" "CHEMBL" "=" "Bos taurus" "indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.1 "Ki" "Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" "Ovis aries" "indomethacin" 1440 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 6.3 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "Mus musculus" "indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "P35355" "Ptgs2" "PGH2_RAT" 8 "IC50" "Inhibition of Prostaglandin G/H synthase 2" "CHEMBL" "=" "Rattus norvegicus" "indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 8.22 "IC50" "Inhibition of Prostaglandin G/H synthase 1 using whole cell assay" "CHEMBL" "=" "Rattus norvegicus" "indomethacin" 1440 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.47 "IC50" "Inhibition of ovine COX2" "CHEMBL" "=" "Ovis aries" "indomethacin" 1440 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 8.39 "IC50" "Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced 12-hydroxyheptadecatrienoic acid formation by reverse-phase HPLC analysis" "CHEMBL" "=" "Bos taurus" "indomethacin" 1440 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 6.37 "IC50" "Inhibitory activity against Prostaglandin G/H synthase (bovine seminal vesicles)" "CHEMBL" "=" "Bos taurus" "indomethacin" 1440 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 7 "IC50" "In vitro inhibitory activity against polymorphonuclear leukocyte Prostaglandin G/H synthase" "CHEMBL" "=" "Rattus norvegicus" "indomethacin" 1440 "Prostaglandin G/H synthase (cyclooxygenase)" "Enzyme" "P05979|P79208" "PTGS1|PTGS2" "PGH1_SHEEP|PGH2_SHEEP" 6.82 "IC50" "Inhibition of ram seminal vesicle Cyclooxygenase" "CHEMBL" "=" "Ovis aries" "indomethacin" 1440 "Nitric oxide synthase, inducible" "Enzyme" "P29477" "Nos2" "NOS2_MOUSE" 4.7 "IC50" "Inhibition of iNOS in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production for 2 hrs by DAF-FMDA dye based fluorometric assay" "CHEMBL" "=" "Mus musculus" "indomethacin" 1440 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 4.39 "IC50" "Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "indomethacin" 1440 "Aldo-keto reductase family 1 member C4" "Enzyme" "P17516" "AKR1C4" "AK1C4_HUMAN" 4.27 "IC50" "Inhibition of human recombinant GST-tagged AKR1C4 expressed in Escherichia coli using S-tetralol as substrate by fluorometry" "CHEMBL" "=" "Tbio" "Homo sapiens" "indomethacin" 1440 "Prostaglandin D2 receptor 2" "GPCR" "Q9Z2J6" "Ptgdr2" "PD2R2_MOUSE" 6 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "indomethacin" 1440 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9.82 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "indoprofen" 1442 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.9 "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" "indoprofen" 1442 "Luciferin 4-monooxygenase" "Unclassified" "P08659" "LUCI_PHOPY" 6.7 "IC50" "Inhibition of Photinus pyralis luciferase" "CHEMBL" "=" "Photinus pyralis" "indoramin" 1443 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.65 "Ki" "The compound was tested for binding affinity against Alpha-2A adrenergic receptor from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "indoramin" 1443 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.43 "Ki" "The compound was tested for binding affinity against Alpha-1A adrenergic receptor from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "indoramin" 1443 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.28 "Ki" "Binding affinity against Alpha-2B adrenergic receptor from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "indoramin" 1443 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.32 "Ki" "Binding affinity against Alpha-2C adrenergic receptor from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "indoramin" 1443 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.745 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "indoramin" 1443 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.96 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "indoramin" 1443 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.6 "Ki" "The compound was tested for binding affinity against Alpha-1B adrenergic receptor, from hamster clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "indoramin" 1443 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 6.21 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from rat clones." "CHEMBL" "=" "Rattus norvegicus" "indoramin" 1443 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.92 "Ki" "The compound was tested for binding affinity against Alpha-1A adrenergic receptor from bovine clones." "CHEMBL" "=" "Bos taurus" "indoramin" 1443 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 4.92 "Ki" "Affinity for alpha-2 adrenergic receptor of rat cerebral cortex was determined by ligand binding using [3H]yohimbine." "CHEMBL" "=" "Rattus norvegicus" "indoramin" 1443 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.61 "Ki" "Affinity for alpha-1 adrenoceptor of rat cerebral cortex was determined by ligand binding using [3H]prazosin." "CHEMBL" "=" "Rattus norvegicus" "intoplicine" 1446 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 5.82 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "intoplicine" 1446 "DNA topoisomerase I, mitochondrial" "Enzyme" "Q969P6" "TOP1MT" "TOP1M_HUMAN" 6.52 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "intoplicine" 1446 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 6.52 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.278 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.724 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.609 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.804 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.067 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.279 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.439 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 6.043 "IC50" "DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "diiodohydroxyquinoline" 1457 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.532 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "diiodohydroxyquinoline" 1457 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.25 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "ipratropium" 1475 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.31 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ipratropium" 1475 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.824 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ipratropium" 1475 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.292 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1621597" "ANTAGONIST" "Tclin" "Homo sapiens" "ipratropium" 1475 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.181 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ipratropium" 1475 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.77 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ipratropium" 1475 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 9.11 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart" "CHEMBL" "=" "Rattus norvegicus" "ipratropium" 1475 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.54 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane" "CHEMBL" "=" "Rattus norvegicus" "ipratropium" 1475 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.74 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland" "CHEMBL" "=" "Rattus norvegicus" "ipratropium" 1475 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.824 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ipriflavone" 1477 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.531 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ipriflavone" 1477 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.604 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "iprindole" 1478 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.79 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "iprindole" 1478 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.899 "Ki" "PDSP" "Tclin" "Homo sapiens" "iprindole" 1478 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.921 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "iprindole" 1478 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.185 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "iproniazid" 1480 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.12 "IC50" "Inhibition of MAOB in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry" "CHEMBL" "=" "Rattus norvegicus" "iproniazid" 1480 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.3 "IC50" "Inhibition of MAOA in Sprague-Dawley rat brain mitochondria using kynuramine substrate by fluorimetry" "CHEMBL" "=" "Rattus norvegicus" "iproniazid" 1480 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.12 "IC50" "Inhibition of human recombinant MAOB" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1101049" "INHIBITOR" "Tclin" "Homo sapiens" "iproniazid" 1480 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.18 "IC50" "Inhibition of human recombinant MAOA" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1101049" "INHIBITOR" "Tclin" "Homo sapiens" "irbesartan" 1481 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.1 "Ki" "Inhibitory concentration against angiotensin II receptor, type 1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1513" "ANTAGONIST" "Tclin" "Homo sapiens" "irbesartan" 1481 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 5 "Ki" "Binding affinity to ETA receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "irbesartan" 1481 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 9.1 "Ki" "Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1" "CHEMBL" "=" "Rattus norvegicus" "irbesartan" 1481 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.89 "IC50" "Binding affinity towards Angiotensin II receptor, type 1 in rat liver membrane using [125I]-angiotensin II (0.1 nM)" "CHEMBL" "=" "Rattus norvegicus" "irbesartan" 1481 "Angiotensin II receptor" "GPCR" "P25095|P29089|P35351" "Agtr1|Agtr1b|Agtr2" "AGTRA_RAT|AGTRB_RAT|AGTR2_RAT" 8.89 "IC50" "Inhibition of [125I]-AII binding to Angiotensin II receptor of rat uterine membrane" "CHEMBL" "=" "Rattus norvegicus" "irbesartan" 1481 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 4.92 "Ki" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "irinotecan" 1482 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "irinotecan" 1482 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.664 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "irinotecan" 1482 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "irinotecan" 1482 "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" "irinotecan" 1482 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "irinotecan" 1482 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "irinotecan" 1482 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "irinotecan" 1482 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.3 "Ki" "Inhibition of human AChE" "CHEMBL" "=" "Tclin" "Homo sapiens" "irinotecan" 1482 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL481" "INHIBITOR" "Tclin" "Homo sapiens" "irinotecan" 1482 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 5.218 "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" "irinotecan" 1482 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.68 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "irinotecan" 1482 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 7.58 "Ki" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "Torpedo californica" "irinotecan" 1482 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.57 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "irinotecan" 1482 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.68 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "irinotecan" 1482 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.1 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "irinotecan" 1482 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.13 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "irofulven" 1483 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "isepamicin" 1486 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 4.87 "Km" "WOMBAT-PK" "=" "Escherichia coli" "isocarboxazid" 1490 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201168" "INHIBITOR" "Tclin" "Homo sapiens" "isocarboxazid" 1490 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201168" "INHIBITOR" "Tclin" "Homo sapiens" "isoetarine" 1491 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201213" "AGONIST" "Tclin" "Homo sapiens" "isoflurane" 1493 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.109 "Ki" "PDSP" "Tclin" "Homo sapiens" "isoflurane" 1493 "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/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" "isoflurane" 1493 "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/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" "isoflurane" 1493 "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/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" "isoflurane" 1493 "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/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" "isoflurane" 1493 "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/CHEMBL1256" "OPENER" "Tclin" "Homo sapiens" "isoflurane" 1493 "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/CHEMBL1256" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "isoflurane" 1493 "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/CHEMBL1256" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "fluostigmine" 1494 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.77 "Ki" "PDSP" "Tclin" "Homo sapiens" "fluostigmine" 1494 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.22 "Ki" "Inhibition of human AChE assessed as equilibrium binding by modified Ellman's spectrophotometric method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1025" "INHIBITOR" "Tclin" "Homo sapiens" "fluostigmine" 1494 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 4.15 "Kd" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "Torpedo californica" "fluostigmine" 1494 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6.32 "IC50" "In vitro inhibitory activity against acetylcholinesterase from electric eel" "CHEMBL" "=" "Electrophorus electricus" "fluostigmine" 1494 "Lysosomal protective protein" "Enzyme" "P10619" "CTSA" "PPGB_HUMAN" 5 "IC50" "Inhibition of recombinant CatA using [14C]GS-7340 substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "fluostigmine" 1494 "Liver carboxylesterase" "Enzyme" "Q29550" "EST1_PIG" 7.3 "IC50" "Inhibition of porcine liver carboxylesterase using [14C]GS-7340 substrate" "CHEMBL" "=" "Sus scrofa" "isoniazid" 1497 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.31 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "isoniazid" 1497 "Catalase-peroxidase" "Enzyme" "P9WIE4" "katG" "KATG_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "isoniazid" 1497 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" 5.08 "IC50" "Inhibition of recombinant Mycobacterium tuberculosis InhA expressed in Escherichia coli Rosette(DE3) pLysS using trans-2-decenoyl-N-acetylcysteamine as substrate by spectrophotometric method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL64" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "isoniazid" 1497 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.33 "IC50" "Inhibition of human MPO" "CHEMBL" "=" "Tchem" "Homo sapiens" "isoniazid" 1497 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "isoniazid" 1497 "Dihydrofolate reductase" "Enzyme" "P9WNX1" "folA" "DYR_MYCTU" 9 "Ki" "Inhibition of Mycobacterium tuberculosis dihydrofolate reductase" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "isoprenaline" 1499 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "AGONIST" "Tclin" "Homo sapiens" "isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL434" "AGONIST" "Tclin" "Homo sapiens" "isoprenaline" 1499 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.92 "Ki" "Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "isoprenaline" 1499 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.33 "Ki" "Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "isoprenaline" 1499 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "isoprenaline" 1499 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.54 "Ki" "Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "isoprenaline" 1499 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.752 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.54 "EC50" "CHEMBL" "=" "Cavia porcellus" "isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.48 "Kd" "CHEMBL" "=" "Bos taurus" "isoprenaline" 1499 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 6.22 "IC50" "CHEMBL" "=" "Rattus norvegicus" "isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 6 "IC50" "CHEMBL" "=" "Canis familiaris" "isoprenaline" 1499 "Taste receptor type 2 member 14" "GPCR" "Q9NYV8" "TAS2R14" "T2R14_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R14 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 46" "GPCR" "P59540" "TAS2R46" "T2R46_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R46 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Beta-2 adrenergic receptor" "GPCR" "P04274" "ADRB2" "ADRB2_MESAU" 6.87 "Ki" "Displacement of [125I](-)-iodopindolol from adrenergic beta2 receptor in Syrian hamster DDT1 MF2 cells" "CHEMBL" "=" "Mesocricetus auratus" "isoprenaline" 1499 "Beta-3 adrenergic receptor" "GPCR" "P25962" "Adrb3" "ADRB3_MOUSE" 5.3 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "isoprenaline" 1499 "Beta-3 adrenergic receptor" "GPCR" "P26255" "Adrb3" "ADRB3_RAT" 5.3 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "isoprenaline" 1499 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 6.66 "Ki" "Displacement of [3H]CGP12177 from mouse beta1 receptor expressed in HEK293 cells" "CHEMBL" "=" "Mus musculus" "isoprenaline" 1499 "Taste receptor type 2 member 38" "GPCR" "P59533" "TAS2R38" "T2R38_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R38 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 39" "GPCR" "P59534" "TAS2R39" "T2R39_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R39 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 40" "GPCR" "P59535" "TAS2R40" "T2R40_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R40 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 41" "GPCR" "P59536" "TAS2R41" "T2R41_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R41 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tdark" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 43" "GPCR" "P59537" "TAS2R43" "T2R43_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R43 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 31" "GPCR" "P59538" "TAS2R31" "T2R31_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R44 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 45" "GPCR" "P59539" "TAS2R45" "T2R45_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R45 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tdark" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 46" "GPCR" "P59540" "TAS2R46" "T2R46_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R46 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 30" "GPCR" "P59541" "TAS2R30" "T2R30_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R47 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 19" "GPCR" "P59542" "TAS2R19" "T2R19_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R48 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tdark" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 20" "GPCR" "P59543" "TAS2R20" "T2R20_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R49 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tdark" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 50" "GPCR" "P59544" "TAS2R50" "T2R50_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R50 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 60" "GPCR" "P59551" "TAS2R60" "T2R60_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R60 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tdark" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 42" "GPCR" "Q7RTR8" "TAS2R42" "T2R42_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R55 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tdark" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 16" "GPCR" "Q9NYV7" "TAS2R16" "T2R16_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R16 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 14" "GPCR" "Q9NYV8" "TAS2R14" "T2R14_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R14 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 13" "GPCR" "Q9NYV9" "TAS2R13" "T2R13_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R13 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 10" "GPCR" "Q9NYW0" "TAS2R10" "T2R10_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R10 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 9" "GPCR" "Q9NYW1" "TAS2R9" "TA2R9_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R9 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tdark" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 8" "GPCR" "Q9NYW2" "TAS2R8" "TA2R8_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R8 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 7" "GPCR" "Q9NYW3" "TAS2R7" "TA2R7_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R7 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 5" "GPCR" "Q9NYW4" "TAS2R5" "TA2R5_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R5 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 4" "GPCR" "Q9NYW5" "TAS2R4" "TA2R4_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R4 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 3" "GPCR" "Q9NYW6" "TAS2R3" "TA2R3_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R3 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoprenaline" 1499 "Taste receptor type 2 member 1" "GPCR" "Q9NYW7" "TAS2R1" "TA2R1_HUMAN" 8.31 "EC50" "Agonist activity at human TAS2R1 expressed in HEK293T cells co-expressing Galpha15 assessed as increase in intracellular calcium level by Calcium-3 dye based fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isopropamide" 1500 "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/CHEMBL1201232" "ANTAGONIST" "Tclin" "Homo sapiens" "isopropamide" 1500 "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/CHEMBL1201232" "ANTAGONIST" "Tclin" "Homo sapiens" "isosorbide dinitrate" 1505 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "isosorbide dinitrate" 1505 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3" "GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6622" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "isosorbide mononitrate" 1506 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "isosorbide mononitrate" 1506 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3" "GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1311" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "isotretinoin" 1508 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.268 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "isotretinoin" 1508 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.52 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "isotretinoin" 1508 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.628 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "isotretinoin" 1508 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 8.229 "ED50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "isotretinoin" 1508 "Alcohol dehydrogenase 4" "Enzyme" "P08319" "ADH4" "ADH4_HUMAN" 5.523 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "isotretinoin" 1508 "Dehydrogenase/reductase SDR family member 9" "Enzyme" "Q9BPW9" "DHRS9" "DHRS9_HUMAN" 4.523 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "isotretinoin" 1508 "11-cis retinol dehydrogenase" "Enzyme" "Q92781" "RDH5" "RDH1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "isotretinoin" 1508 "17-beta-hydroxysteroid dehydrogenase type 6" "Enzyme" "O14756" "HSD17B6" "H17B6_HUMAN" 5.398 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "isotretinoin" 1508 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" "Mechanism of Action; CHEMBL2008; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL547" "INHIBITOR" "Tclin" "Homo sapiens" "isotretinoin" 1508 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.597 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "isotretinoin" 1508 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.335 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "isotretinoin" 1508 "Cellular retinoic acid-binding protein 1" "Cytosolic other" "P40220" "CRABP1" "RABP1_CHICK" 6.05 "IC50" "Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin" "CHEMBL" "=" "Gallus gallus" "isotretinoin" 1508 "Olfactory receptor 51E2" "GPCR" "Q9H255" "OR51E2" "O51E2_HUMAN" 6.8 "IC50" "Antagonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "isoxicam" 1509 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "isoxicam" 1509 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "isradipine" 1511 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "isradipine" 1511 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 8.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL399539" "GATING INHIBITOR" "Tclin" "Homo sapiens" "isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 9.3 "IC50" "Recombinant Cav1.3 calcium channel complexes expressed in tsA201-cells" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL399539" "GATING INHIBITOR" "Tclin" "Homo sapiens" "isradipine" 1511 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.509 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 6.97 "IC50" "Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alpha-1C expressed in HEK293 cells by FLIPR assay" "CHEMBL" "=" "Oryctolagus cuniculus" "isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 6.66 "IC50" "Antagonist activity at rat voltage-dependent L-type calcium channel Cav1.3alpha-1D expressed in HEK293 cells by FLIPR assay" "CHEMBL" "=" "Rattus norvegicus" "isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "Q9JIS7" "Cacna1f" "CAC1F_MOUSE" 6.7 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "isradipine" 1511 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q01815" "Cacna1c" "CAC1C_MOUSE" 7.5 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "itraconazole" 1513 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.3 "Ki" "Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "itraconazole" 1513 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.046 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "itraconazole" 1513 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 9.246 "MIC" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22587" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "itraconazole" 1513 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 6.1 "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" "itraconazole" 1513 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.41 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "itraconazole" 1513 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 5.44 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "itraconazole" 1513 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 6.7 "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" "itraconazole" 1513 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 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" "itraconazole" 1513 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.52 "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" "itraconazole" 1513 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 6 "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)" "itraconazole" 1513 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 7.51 "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" "itraconazole" 1513 "7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase" "Enzyme" "Q9UNU6" "CYP8B1" "CP8B1_HUMAN" 5.33 "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" "ixabepilone" 1517 "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" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19010832" "https://pubmed.ncbi.nlm.nih.gov/19010832" "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" "kanamycin" 1519 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 5.678 "Km" "WOMBAT-PK" "=" "Escherichia coli" "kanamycin" 1519 "3-oxoacyl-[acyl-carrier-protein] synthase 3" "Unclassified" "P0A6R0" "fabH" "FABH_ECOLI" 5.17 "IC50" "CHEMBL" "=" "Escherichia coli (strain K12)" "kanamycin" 1519 "Gap junction beta-2 protein" "Unclassified" "P29033" "GJB2" "CXB2_HUMAN" 5.03 "IC50" "Inhibition of recombinant human Cx26 expressed in Escherichia coli LB2003 assessed as reduction in cell growth measured after 18 hrs" "CHEMBL" "=" "Tbio" "Homo sapiens" "bekanamycin" 1520 "3-oxoacyl-[acyl-carrier-protein] synthase 3" "Enzyme" "C3TDZ2" "fabH" "C3TDZ2_ECOLX" 5.2 "IC50" "CHEMBL" "=" "Escherichia coli" "bekanamycin" 1520 "3-oxoacyl-[acyl-carrier-protein] synthase 3" "Unclassified" "P0A6R0" "fabH" "FABH_ECOLI" 5.25 "IC50" "Inhibition of Escherichia coli FabH expressed in Escherichia coli DH10B using holo-ACP/acetyl-CoA as substrate assessed as incorporation of [3H] signal in final product preincubated with holo-ACP for 1 hr followed by acetyl-CoA addition measured after 25 mins by liquid scintillation counting method" "CHEMBL" "=" "Escherichia coli (strain K12)" "ketamine" 1523 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.31 "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" "ketamine" 1523 "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" 6.38 "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/CHEMBL742" "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" "ketamine" 1523 "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" 6.21 "IC50" "Inhibition of [3H]-MK-801 binding to NMDA receptor from rat cerebral cortical synaptic membrane" "CHEMBL" "=" "Rattus norvegicus" "ketamine" 1523 "Glutamate receptor ionotropic AMPA" "Ion channel" "P42261|P42262|P42263|P48058" "GRIA1|GRIA2|GRIA3|GRIA4" "GRIA1_HUMAN|GRIA2_HUMAN|GRIA3_HUMAN|GRIA4_HUMAN" "antidepressant action of (2R,6R)-HNK metabolite" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/27144355" "https://pubmed.ncbi.nlm.nih.gov/27144355" "OPENER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ketanserin" 1524 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.62 "Ki" "Binding affinity for Dopamine receptor D2 by displacement of [3H]-spiperone" "CHEMBL" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "Ki" "WOMBAT-PK" "Tclin" "Homo sapiens" "ketanserin" 1524 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.97 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.7 "Ki" "GRAC: human 5-HT2A selective antagonist" "CHEMBL" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.55 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [3H]-LSD as radioligand" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.701 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "ketanserin" 1524 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.747 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.19 "IC50" "Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]5-HT binding displacement." "CHEMBL" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.59 "IC50" "Binding affinity by displacement to human cloned 5-hydroxytryptamine 1D receptor in CHO cells by [3H]5-HT displacement." "CHEMBL" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.57 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketanserin" 1524 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.46 "Ki" "Binding affinity towards human dopamine receptor D4" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketanserin" 1524 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 4.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.903 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" 6.155 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketanserin" 1524 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.72 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "ketanserin" 1524 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.44 "Ki" "Inhibitory constant against binding of [125I]- IBZM to rat striatal membrane" "CHEMBL" "=" "Rattus norvegicus" "ketanserin" 1524 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.74 "Ki" "Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue of rat brain" "CHEMBL" "=" "Rattus norvegicus" "ketanserin" 1524 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.33 "Ki" "Displacement of [3H]ketanserin from 5-HT2A receptor in Sprague-Dawley rat frontal cortex after 15 mins" "CHEMBL" "=" "Rattus norvegicus" "ketanserin" 1524 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "ketanserin" 1524 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "ketanserin" 1524 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.3 "Ki" "Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesulergine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "ketanserin" 1524 "Chromaffin granule amine transporter" "Transporter" "P54219" "SLC18A1" "VMAT1_HUMAN" 5.8 "Ki" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ketanserin" 1524 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.82 "IC50" "Inhibition of [3H]prazosin binding to alpha-1 adrenergic receptor from rat cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "ketanserin" 1524 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.4 "Ki" "Evaluated for the binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- KET as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "ketanserin" 1524 "5-hydroxytryptamine receptor 1B" "GPCR" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "ketanserin" 1524 "Synaptic vesicular amine transporter" "Transporter" "Q8BRU6" "Slc18a2" "VMAT2_MOUSE" 7 "IC50" "Inhibition of VMAT2 in C57Bl/6J mouse striatal membranes assessed as reduction in [3H[-5HT uptake pre-incubated for 10 mins before [3H[-5HT addition and measured after 8 mins" "CHEMBL" "=" "Mus musculus" "ketobemidone" 1526 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketobemidone" 1526 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.223 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketobemidone" 1526 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 4.585 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketobemidone" 1526 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.845 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketobemidone" 1526 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 8.7 "EC50" "Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "ketobemidone" 1526 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Sigmar1|Oprd1|Oprk1|Oprm1" "SGMR1_MOUSE|OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE" 5.15 "IC50" "Tested for displacement of radioligand [3H]-Naloxone from opiate receptor; value ranges from 7-10 uM" "CHEMBL" "=" "Mus musculus" "ketoconazole" 1527 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.821 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "ketoconazole" 1527 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.13 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.72 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.55 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.62 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.084 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.667 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.028 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.456 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "ketoconazole" 1527 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.729 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 4.84 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL157101" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "ketoconazole" 1527 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.346 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.54 "IC50" "Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.4 "IC50" "Inhibition Assay: Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeCN (50:50 v/v). The individual test compound solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 1000, 300, 100, 30, 10, and 3 uM. Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively) were prepared containing each inhibitor at concentrations of 6000, 2000, 600, 200, 60, 20, 6, and 2 uM by serial dilution with DMSO:ACN (50:50 v/v). The mixed inhibitor solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 300, 100, 30, 10, 3, 1, 0.3, and 0.1 uM. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture was 2% v/v.Pooled human liver microsome suspension (20 mg/mL" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.4 "Ki" "Inhibition of human recombinant aromatase assessed as conversion of O-dibenzylfluorescein benzyl ester substrate to fluorescein byproduct by fluorometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O15528" "CYP27B1" "CP27B_HUMAN" 6.47 "IC50" "Inhibition of human CYP27B1 expressed in Escherichia coli assessed as reduction in hydrolase activity incubated for 25 mins using Adx, AdR and 1,25(OH)2D3" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Potassium voltage-gated channel subfamily A member 10" "Ion channel" "Q16322" "KCNA10" "KCA10_HUMAN" 6.3 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 4.72 "IC50" "Inhibition Assay: Solutions of each test compound were separately prepared at concentrations of 20000, 6000, 2000, 600, 200, and 60 uM by serial dilution with DMSO:MeCN (50:50 v/v). The individual test compound solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 1000, 300, 100, 30, 10, and 3 uM. Mixtures of isozyme inhibitors (sulfaphenazole, tranylcypromine, and ketoconazole as specific inhibitors of isozymes 2C9, 2C19, and 3A4, respectively) were prepared containing each inhibitor at concentrations of 6000, 2000, 600, 200, 60, 20, 6, and 2 uM by serial dilution with DMSO:ACN (50:50 v/v). The mixed inhibitor solutions were then diluted 20-fold with DMSO:MeCN:deionized water (5:5:180 v/v/v) to concentrations of 300, 100, 30, 10, 3, 1, 0.3, and 0.1 uM. The percent of organic solvent attributable to the test compound or inhibitor mixture in the final reaction mixture was 2% v/v.Pooled human liver microsome suspension (20 mg/mL" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.665 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 7.197 "app Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.6 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.58 "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" "ketoconazole" 1527 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.24 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 6.92 "IC50" "Fluorescent High Throughput P450 Assay: 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). 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. Concentration-response curves performed in duplicate for known i" "CHEMBL" "=" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.266 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "ketoconazole" 1527 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 4.897 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "ketoconazole" 1527 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.211 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "ketoconazole" 1527 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.009 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "ketoconazole" 1527 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.45 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 9.66 "Kd" "Dissociation constant was determined in vitro using rat pituitary membranes and [125I]-leuprolide as radioligand, at concentration 3.16*10e-6 M" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial" "Enzyme" "Q07973" "CYP24A1" "CP24A_HUMAN" 6.506 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Cytochrome P450 21" "Enzyme" "P08686" "CYP21A2" "CP21A_HUMAN" 5.05 "IC50" "Inhibition of Progesterone 21-hydroxylase cytochrome P450 21" "CHEMBL" "=" "Tbio" "Homo sapiens" "ketoconazole" 1527 "Cytochrome P450 11B1" "Enzyme" "P15150" "CYP11B1" "C11B1_BOVIN" 6.82 "IC50" "Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450" "CHEMBL" "=" "Bos taurus" "ketoconazole" 1527 "Cytochrome P450 11A1" "Enzyme" "P14137" "Cyp11a1" "CP11A_RAT" 5.91 "IC50" "Inhibition of cholesterol side chain cleavage cytochrome P450" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "Cytochrome P450 24A1" "Enzyme" "Q09128" "Cyp24a1" "CP24A_RAT" 4.7 "IC50" "Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "Cytochrome P450 7A1" "Enzyme" "P18125" "Cyp7a1" "CP7A1_RAT" 6.71 "IC50" "Inhibition of cytochrome P450 Cholesterol 7-alpha-hydroxylase" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "Cytochrome P450 51" "Enzyme" "Q64654" "Cyp51a1" "CP51A_RAT" 7.19 "Ki" "Inhibition of lanosterol 14-alpha-demethylase of rat hepatic microsomes" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "Cytochrome P450 17A1" "Enzyme" "P11715" "Cyp17a1" "CP17A_RAT" 6.69 "IC50" "Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.81 "IC50" "Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake" "CHEMBL" "=" "Rattus norvegicus" "ketoconazole" 1527 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O35084" "Cyp27b1" "CP27B_MOUSE" 6.44 "IC50" "CHEMBL" "=" "Mus musculus" "ketoconazole" 1527 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 7.174 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/18672868" "INHIBITOR" "Tchem" "Homo sapiens" "ketoconazole" 1527 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 7.28 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/003906/WC500181492.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ketoconazole" 1527 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 6.896 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/18672868" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/003906/WC500181492.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ketoprofen" 1528 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.62 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL571" "INHIBITOR" "Tclin" "Homo sapiens" "ketoprofen" 1528 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.33 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL571" "INHIBITOR" "Tclin" "Homo sapiens" "ketoprofen" 1528 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.1 "IC50" "CHEMBL" "=" "Ovis aries" "ketoprofen" 1528 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.75 "IC50" "Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay" "CHEMBL" "=" "Ovis aries" "ketoprofen" 1528 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 5.47 "IC50" "Evaluated for the inhibition of Prostaglandin synthetase obtained from bovine seminal vesicles at the dose of 4 mg/kg p.o." "CHEMBL" "=" "Bos taurus" "ketorolac" 1529 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL469" "INHIBITOR" "Tclin" "Homo sapiens" "ketorolac" 1529 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 9.72 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL469" "INHIBITOR" "Tclin" "Homo sapiens" "ketorolac" 1529 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.94 "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" "ketorolac" 1529 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.214 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "ketorolac" 1529 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 6.64 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "Mus musculus" "ketorolac" 1529 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 4.44 "IC50" "Inhibition of PAK1 in human A549 cells using myelin basic protein as substrate preincubated for 24 hrs followed by PAK1 immunoprecipation and substrate addition measured after 60 mins by ATP-Glo kinase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketotifen" 1530 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.361 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.086 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "ketotifen" 1530 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.839 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.047 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.538 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.076 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.276 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ketotifen" 1530 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.489 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.176 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.509 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL534" "ANTAGONIST" "Tclin" "Homo sapiens" "ketotifen" 1530 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.391 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 4.68 "IC50" "Histamine H-4 Receptor Binding Assay: Histamine H-4 Receptor Binding Assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ketotifen" 1530 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.016 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.359 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.577 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.075 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.73 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.737 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ketotifen" 1530 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9.51 "Ki" "The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM" "CHEMBL" "=" "Cavia porcellus" "ketotifen" 1530 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.6 "IC50" "CHEMBL" "=" "Rattus norvegicus" "labetalol" 1531 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.234 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "ANTAGONIST" "Tclin" "Homo sapiens" "labetalol" 1531 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.959 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL429" "ANTAGONIST" "Tclin" "Homo sapiens" "labetalol" 1531 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.117 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "labetalol" 1531 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.478 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "labetalol" 1531 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.648 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "labetalol" 1531 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.714 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "labetalol" 1531 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.894 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "labetalol" 1531 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "labetalol" 1531 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.638 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "labetalol" 1531 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.491 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "labetalol" 1531 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.24 "IC50" "CHEMBL" "=" "Rattus norvegicus" "labetalol" 1531 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.41 "IC50" "CHEMBL" "=" "Rattus norvegicus" "labetalol" 1531 "CAAX prenyl protease 1" "Enzyme" "P47154" "STE24" "STE24_YEAST" 5.11 "AC50" "Active" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "labetalol" 1531 "CAAX prenyl protease 2" "Enzyme" "Q03530" "RCE1" "RCE1_YEAST" 4.82 "AC50" "Active" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "lacidipine" 1532 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.046 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lacidipine" 1532 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.245 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lacidipine" 1532 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.679 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lacidipine" 1532 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.642 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "lacidipine" 1532 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "lacidipine" 1532 "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" "lacidipine" 1532 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.771 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "lacidipine" 1532 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.583 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "lacidipine" 1532 "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/17276408" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "lactose" 1535 "Galectin-8" "Unclassified" "O00214" "LGALS8" "LEG8_HUMAN" 4.21 "Kd" "Binding affinity to galectin 8N terminal domain at 20 degC by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "lactose" 1535 "Galectin-9" "Unclassified" "O00182" "LGALS9" "LEG9_HUMAN" 4.64 "Kd" "Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "lactose" 1535 "Galectin-3" "Unclassified" "P17931" "LGALS3" "LEG3_HUMAN" 4.03 "Kd" "CHEMBL" "=" "Homo sapiens" "lamivudine" 1539 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "lamivudine" 1539 "Protein P" "Polyprotein" "Q9IF40" "P" "Q9IF40_HBV" "Mechanism of Action; CHEMBL2362994; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL141" "INHIBITOR" "Hepatitis B virus" "lamivudine" 1539 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.38 "EC50" "In vitro antiviral activity against HIV-1 Reverse transcriptase wild type" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL141" "INHIBITOR" "Human immunodeficiency virus 1" "lamotrigine" 1540 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.21 "IC50" "Inhibition of human recombinant Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 3.839 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5 "IC50" "Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" 4.77 "IC50" "Inhibition of human Nav1.3 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.77 "Ki" "Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.77 "IC50" "Inhibition of human Nav1.7 expressed in SHSY5Y cells assessed as reduction in blue fluorescent signal by VSP-FRET assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.744 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" 4.02 "IC50" "Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL741" "BLOCKER" "Tclin" "Homo sapiens" "lamotrigine" 1540 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.46 "IC50" "Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-clamp technique" "CHEMBL" "=" "Rattus norvegicus" "lamotrigine" 1540 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 4.82 "Ki" "Inhibition of Escherichia coli DHFR assessed as NADP formation by quadratic Morrison plot analysis" "CHEMBL" "=" "Escherichia coli" "lamotrigine" 1540 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 4.51 "IC50" "Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain" "CHEMBL" "=" "Rattus norvegicus" "lamotrigine" 1540 "Sodium channel protein type X alpha subunit" "Ion channel" "Q62968" "Scn10a" "SCNAA_RAT" 4.6 "IC50" "Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique" "CHEMBL" "=" "Rattus norvegicus" "landiolol" 1545 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01847" "ANTAGONIST" "Tclin" "Homo sapiens" "lanreotide" 1546 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 9.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201185" "AGONIST" "Tclin" "Homo sapiens" "lanreotide" 1546 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 8 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "lanreotide" 1546 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 9.3 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201185" "AGONIST" "Tclin" "Homo sapiens" "lanreotide" 1546 "Somatostatin receptor type 2" "GPCR" "P30875" "Sstr2" "SSR2_MOUSE" 9.1 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "lanreotide" 1546 "Somatostatin receptor type 3" "GPCR" "P30935" "Sstr3" "SSR3_MOUSE" 8.2 "IC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "lanreotide" 1546 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 7.18 "Ki" "PDSP" "Tclin" "Homo sapiens" "lanreotide" 1546 "Somatostatin receptor type 5" "GPCR" "P30938" "Sstr5" "SSR5_RAT" 7.6 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "lanreotide" 1546 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 6.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "lanreotide" 1546 "Somatostatin receptor type 2" "GPCR" "P30680" "Sstr2" "SSR2_RAT" 8.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "lanreotide" 1546 "Somatostatin receptor type 3" "GPCR" "P30936" "Sstr3" "SSR3_RAT" 6.9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "lansoprazole" 1547 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.275 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lansoprazole" 1547 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.473 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "lansoprazole" 1547 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.28 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "lansoprazole" 1547 "Phosphoethanolamine/phosphocholine phosphatase" "Enzyme" "Q8TCT1" "PHOSPHO1" "PHOP1_HUMAN" 6.36 "IC50" "PUBCHEM_BIOASSAY: SAR assay for compounds that inhibit PHOSPHO1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1545, AID1565, AID1574]" "CHEMBL" "=" "Tchem" "Homo sapiens" "lansoprazole" 1547 "Microtubule-associated protein tau" "Structural" "P10636" "MAPT" "TAU_HUMAN" 8.6 "Ki" "Binding affinity to heparin induced human Tau 441 at 50 pM to 500 nM after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "lansoprazole" 1547 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.09 "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" "lansoprazole" 1547 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL480" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "lansoprazole" 1547 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.03 "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" "lansoprazole" 1547 "N(G),N(G)-dimethylarginine dimethylaminohydrolase 1" "Enzyme" "O94760" "DDAH1" "DDAH1_HUMAN" 4.29 "IC50" "Inhibition of recombinant human DDAH1 expressed in Escherichia coli BL21 Star (DE3) using ADMA as substrate assessed as decrease in citrulline production after 4 hrs by colorimetric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "lansoprazole" 1547 "Cytosolic endo-beta-N-acetylglucosaminidase" "Enzyme" "Q8NFI3" "ENGASE" "ENASE_HUMAN" 4.61 "IC50" "Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreated for 15 mins followed by substrate addition after 90 mins by SDS-PAGE analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "lapatinib" 1548 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "lapatinib" 1548 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 5.07 "IC50" "Inhibition of PDGFRbeta by flash plate based radioactive enzyme assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lapatinib" 1548 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 4.64 "IC50" "Inhibition of ABL1 by flash plate based radioactive enzyme assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lapatinib" 1548 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.04 "Kd" "Binding constant for EGFR(G719C) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201179" "INHIBITOR" "Tclin" "Homo sapiens" "lapatinib" 1548 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.15 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201179" "INHIBITOR" "Tclin" "Homo sapiens" "lapatinib" 1548 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "lapatinib" 1548 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 4.96 "IC50" "Inhibition of CDK2 by flash plate based radioactive enzyme assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 4.77 "IC50" "Inhibition of INSR by flash plate based radioactive enzyme assay" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "lapatinib" 1548 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.27 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "lapatinib" 1548 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.59 "Kd" "Average Binding Constant for STK10; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.44 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 5.48 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "Dual specificity mitogen-activated protein kinase kinase 7" "Kinase" "O14733" "MAP2K7" "MP2K7_HUMAN" 5.36 "Kd" "Binding constant for MKK7 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "lapatinib" 1548 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 7.27 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Rattus norvegicus" "lapatinib" 1548 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 5.26 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta" "Kinase" "O00750" "PIK3C2B" "P3C2B_HUMAN" 6.17 "Kd" "Binding constant for PIK3C2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit gamma" "Kinase" "O75747" "PIK3C2G" "P3C2G_HUMAN" 5.12 "Kd" "Binding constant for PIK3C2G kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "lapatinib" 1548 "Phosphatidylinositol 4-kinase beta" "Kinase" "Q9UBF8" "PI4KB" "PI4KB_HUMAN" 6.03 "Kd" "Binding constant for PIK4CB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "lapatinib" 1548 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 5.96 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "arginine hydrochloride" 1549 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 5.15 "Kd" "Binding affinity to truncated iNOS construct (1-490) by spectral assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "arginine hydrochloride" 1549 "G-protein coupled receptor family C group 6 member A" "GPCR" "Q5T6X5" "GPRC6A" "GPC6A_HUMAN" 4.4 "EC50" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Calcium-binding mitochondrial carrier protein Aralar1" "Transporter" "O75746" "SLC25A12" "CMC1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Aspartate aminotransferase, cytoplasmic" "Enzyme" "P17174" "GOT1" "AATC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Aspartoacylase" "Enzyme" "P45381" "ASPA" "ACY2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Asparagine synthetase [glutamine-hydrolyzing]" "Enzyme" "P08243" "ASNS" "ASNS_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "aspartic acid" 1550 "Argininosuccinate synthase" "Enzyme" "P00966" "ASS1" "ASSY_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Aminoacylase-1" "Enzyme" "Q03154" "ACY1" "ACY1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Aspartate aminotransferase, mitochondrial" "Enzyme" "P00505" "GOT2" "AATM_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Aspartate--tRNA ligase, cytoplasmic" "Enzyme" "P14868" "DARS" "SYDC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Aspartyl/asparaginyl beta-hydroxylase" "Enzyme" "Q12797" "ASPH" "ASPH_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "Excitatory amino acid transporter 1" "Transporter" "P43003" "SLC1A3" "EAA1_HUMAN" 5.03 "IC50" "Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "aspartic acid" 1550 "Excitatory amino acid transporter 2" "Transporter" "P43004" "SLC1A2" "EAA2_HUMAN" 4.5 "IC50" "Inhibition of human EAAT2 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "aspartic acid" 1550 "Excitatory amino acid transporter 3" "Transporter" "P43005" "SLC1A1" "EAA3_HUMAN" 4.71 "IC50" "Inhibition of human EAAT3 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "aspartic acid" 1550 "Calcium-binding mitochondrial carrier protein Aralar2" "Transporter" "Q9UJS0" "SLC25A13" "CMC2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "aspartic acid" 1550 "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" 5.79 "IC50" "Compound was evaluated for the inhibition of [3H]-CGS-19,755 binding at N-methyl-D-aspartate glutamate receptor" "CHEMBL" "=" "Rattus norvegicus" "aspartic acid" 1550 "Excitatory amino acid transporter 4" "Transporter" "O35921" "Slc1a6" "EAA4_RAT" 4.96 "IC50" "Inhibition of rat EAAT4 expressed in tsA201 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "aspartic acid" 1550 "Glutamate transporter homolog" "Transporter" "O59010" "" "GLT_PYRHO" 9 "Kd" "Binding affinity to Pyrococcus horikoshii sodium-coupled aspartate transporter L130W mutant fluorescence-based assay in presence of NaCl" "CHEMBL" "=" "Pyrococcus horikoshii" "latanoprost" 1551 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.757 "Ki" "PDSP" "Tclin" "Homo sapiens" "latanoprost" 1551 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 5.187 "Ki" "PDSP" "Tclin" "Homo sapiens" "latanoprost" 1551 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.3 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1051" "AGONIST" "Tclin" "Homo sapiens" "latanoprost" 1551 "Prostaglandin F2-alpha receptor" "GPCR" "P37289" "PTGFR" "PF2R_BOVIN" 7.01 "Ki" "Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane" "CHEMBL" "=" "Bos taurus" "leflunomide" 1552 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.287 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "leflunomide" 1552 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.338 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "leflunomide" 1552 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.64 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "leflunomide" 1552 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 5 "IC50" "Immunosuppressive activity expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL960" "INHIBITOR" "Tclin" "Homo sapiens" "leflunomide" 1552 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.301 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "leflunomide" 1552 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.684 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "leflunomide" 1552 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q63707" "Dhodh" "PYRD_RAT" 8.05 "IC50" "Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat" "CHEMBL" "=" "Rattus norvegicus" "leflunomide" 1552 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "O35435" "Dhodh" "PYRD_MOUSE" 7.52 "IC50" "Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse" "CHEMBL" "=" "Mus musculus" "letrozole" 1556 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 8.22 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1444" "INHIBITOR" "Tclin" "Homo sapiens" "letrozole" 1556 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 5.58 "IC50" "Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate" "CHEMBL" "=" "Tclin" "Homo sapiens" "letrozole" 1556 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 5.85 "IC50" "Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "leucine" 1557 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 4.07 "IC50" "Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH" "CHEMBL" "=" "Tbio" "Homo sapiens" "leuprorelin" 1559 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.523 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200775" "AGONIST" "Tclin" "Homo sapiens" "leuprorelin" 1559 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 9.3 "IC50" "The compound was tested for the concentration to inhibit 50% of [125 I]leuprorelin binding to Leutinizing releasing hormone receptor in the membrane fractions of the rat pituitary" "CHEMBL" "=" "Rattus norvegicus" "levallorphan" 1560 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.32 "Ki" "Displacement of [125I]-IBOxyA from MOR-1 expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1254682" "ANTAGONIST" "Tclin" "Homo sapiens" "levallorphan" 1560 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.2 "IC50" "Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "levallorphan" 1560 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.92 "Ki" "Inhibition of electric eel AChE by Ellman's method" "CHEMBL" "=" "Electrophorus electricus" "levallorphan" 1560 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 9.27 "IC50" "Inhibition of [3H]naloxone binding to opioid receptor in presence of NaCl" "CHEMBL" "=" "Rattus norvegicus" "levamisole" 1561 "Acetylcholine receptor subunit alpha-type unc-63" "Ion channel" "Q9N587" "unc-63" "ACH6_CAEEL" "WOMBAT-PK" "Caenorhabditis elegans" "levamisole" 1561 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.8 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "Tchem" "Homo sapiens" "levamisole" 1561 "Nicotinic acetylcholine receptor alpha subunit" "Ion channel" "O96760" "O96760_ASCSU" "Mechanism of Action; CHEMBL1884; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1454" "AGONIST" "Ascaris suum" "levamisole" 1561 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.568 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "levamisole" 1561 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P09487" "ALPL" "PPBT_BOVIN" 4.72 "IC50" "CHEMBL" "=" "Bos taurus" "levamisole" 1561 "Intestinal-type alkaline phosphatase" "Enzyme" "P09923" "ALPI" "PPBI_HUMAN" 4.69 "IC50" "Inhibition of human IAP using CDP-star as substrate pretreated for 10 mins followed by substrate addition measured after 10 mins by spectrophotometric method" "CHEMBL" "=" "Tbio" "Homo sapiens" "levamfetamine" 1562 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 4.33 "Ki" "Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.6 "EC50" "Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 5.73 "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" "levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.47 "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" "levamfetamine" 1562 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 7.19 "EC50" "Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins" "CHEMBL" "=" "Mus musculus" "levamfetamine" 1562 "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" 5.16 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "Rattus norvegicus" "levetiracetam" 1563 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levetiracetam" 1563 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levetiracetam" 1563 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levetiracetam" 1563 "Synaptic vesicle glycoprotein 2A" "Unclassified" "Q02563" "Sv2a" "SV2A_RAT" 6.1 "IC50" "In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site, in rat brain homogenate" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "levetiracetam" 1563 "Synaptic vesicle glycoprotein 2A" "Transporter" "Q7L0J3" "SV2A" "SV2A_HUMAN" 6.1 "Ki" "Mechanism of Action; CHEMBL1998; SINGLE PROTEIN" "CHEMBL" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/18500360" "https://pubmed.ncbi.nlm.nih.gov/18500360" "MODULATOR" "Tclin" "Homo sapiens" "levocabastine" 1564 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "levocabastine" 1564 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.279 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1615438" "ANTAGONIST" "Tclin" "Homo sapiens" "levocabastine" 1564 "Neurotensin receptor type 2" "GPCR" "O95665" "NTSR2" "NTR2_HUMAN" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "levocabastine" 1564 "Neurotensin receptor 2" "GPCR" "Q63384" "Ntsr2" "NTR2_RAT" 7.48 "Ki" "Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting" "CHEMBL" "=" "Rattus norvegicus" "levocabastine" 1564 "Neurotensin receptor type 2" "GPCR" "P70310" "Ntsr2" "NTR2_MOUSE" 8.7 "IC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "levocetirizine" 1566 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.95 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201191" "ANTAGONIST" "Tclin" "Homo sapiens" "levodopa" 1567 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 4 "IC50" "Inhibition of LAT1-mediated [14C]-L-leucine uptake in human MCF7 cells after 5 mins by liquid scintillation counting method" "CHEMBL" "=" "Tbio" "Homo sapiens" "levodopa" 1567 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.541 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levodopa" 1567 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.428 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levodopa" 1567 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.668 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levodopa" 1567 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.646 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "levodopa" 1567 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/7878037" "AGONIST" "Tclin" "Homo sapiens" "levodopa" 1567 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/7878037" "AGONIST" "Tclin" "Homo sapiens" "levofloxacin" 1569 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 3.04 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "levofloxacin" 1569 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 4.28 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "levofloxacin" 1569 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.75 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "levofloxacin" 1569 "DNA topoisomerase 4" "Enzyme" "P72525|Q59961" "parC|parE" "PARC_STRPN|PARE_STRPN" "Mechanism of Action; CHEMBL2363033; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "levofloxacin" 1569 "DNA gyrase" "Enzyme" "P0A4L9|P72524" "gyrB|gyrA" "GYRB_STRPN|GYRA_STRPN" "Mechanism of Action; CHEMBL2311225; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "INHIBITOR" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "levofloxacin" 1569 "CAAX prenyl protease 2" "Enzyme" "Q9Y256" "RCE1" "FACE2_HUMAN" 4.39 "AC50" "PUBCHEM_BIOASSAY: Human Ras-Converting Enzyme Inhibition Assay Measured in Biochemical System Using Plate Reader - 2034-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2618]" "CHEMBL" "=" "Tchem" "Homo sapiens" "levomethadyl acetate" 1571 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1514" "AGONIST" "Tclin" "Homo sapiens" "levomethadyl acetate" 1571 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.66 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "levonorgestrel" 1572 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.225 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levonorgestrel" 1572 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.167 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "levonorgestrel" 1572 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levonorgestrel" 1572 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 12.796 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1389" "AGONIST" "Tclin" "Homo sapiens" "levonorgestrel" 1572 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.91 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "levonorgestrel" 1572 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.37 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "levonorgestrel" 1572 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.339 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "levorphanol" 1574 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.68 "Ki" "Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2062261" "AGONIST" "Tclin" "Homo sapiens" "levorphanol" 1574 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.64 "Ki" "Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of Chinese hamster ovary membrane" "CHEMBL" "=" "Tclin" "Homo sapiens" "levorphanol" 1574 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.38 "Ki" "Inhibition of [3H]naltrindole binding to opioid receptor delta 1 of Chinese hamster ovary membrane" "CHEMBL" "=" "Tclin" "Homo sapiens" "levorphanol" 1574 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.1 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "levorphanol" 1574 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9.52 "Ki" "Binding affinity for mouse opioid receptor mu" "CHEMBL" "=" "Mus musculus" "levorphanol" 1574 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.68 "Ki" "Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in guinea pig brain membranes." "CHEMBL" "=" "Cavia porcellus" "levorphanol" 1574 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 8.64 "Ki" "Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes." "CHEMBL" "=" "Cavia porcellus" "levorphanol" 1574 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.6 "Ki" "Inhibition of electric eel AChE by Ellman's method" "CHEMBL" "=" "Electrophorus electricus" "levorphanol" 1574 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 8 "Ki" "Binding affinity for mouse opioid receptor kappa" "CHEMBL" "=" "Mus musculus" "levorphanol" 1574 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "O55242" "Sigmar1" "SGMR1_MOUSE" 8.72 "Ki" "Binding affinity for mouse sigma opioid receptor" "CHEMBL" "=" "Mus musculus" "levorphanol" 1574 "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" 5.6 "IC50" "Binding affinity against dextromethorpin binding site associated with N-methyl-D-aspartate glutamate receptor from guinea pig mitochondriall pellet P2 determined using [3H]1 as radioligand." "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" "levorphanol" 1574 "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" 5.92 "IC50" "Binding affinity against PCP binding site associated with N-methyl-D-aspartate glutamate receptor from rat synaptic plasma membrane(SPM) determined using [3H]TCP as radioligand." "CHEMBL" "=" "Rattus norvegicus" "levorphanol" 1574 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 9.15 "EC50" "Binding affinity to opioid receptor in rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "levorphanol" 1574 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.6 "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" "levorphanol" 1574 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.1 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "levosalbutamol" 1575 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.42 "Ki" "Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in HEK293T cells in presence of 100 uM boric acid" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1002" "AGONIST" "Tclin" "Homo sapiens" "levosimendan" 1576 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levosimendan" 1576 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q14654" "KCNJ11" "KCJ11_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "levosimendan" 1576 "ATP-sensitive inward rectifier potassium channel 8" "Ion channel" "Q15842" "KCNJ8" "KCNJ8_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "levosimendan" 1576 "Troponin C, slow skeletal and cardiac muscles" "Cytosolic other" "P63316" "TNNC1" "TNNC1_HUMAN" 3.155 "Kd" "affinity for the binding of levosimendan to cNTnC-Ca2+-cTnI-(144-163) complex" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18570382" "https://pubmed.ncbi.nlm.nih.gov/18570382" "OPENER" "Tclin" "Homo sapiens" "levosulpiride" 1577 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.29 "Ki" "In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D2 short form expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "levosulpiride" 1577 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.06 "Ki" "In vitro displacement of [3H]spiperone from the cloned human dopamine receptor D3 stably expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "levosulpiride" 1577 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.68 "Ki" "In vitro displacement of [3H]spiperone from the recombinant human dopamine receptor D4 expressed in CHO cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "levosulpiride" 1577 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.12 "IC50" "Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "levosulpiride" 1577 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.16 "Ki" "Inhibition of [3H]spiperone binding to rat striatal membrane Dopamine receptor D2" "CHEMBL" "=" "Rattus norvegicus" "levosulpiride" 1577 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 4.3 "Ki" "In vitro displacement of [3H]- SCH 23390 from the dopamine receptor D1 of bovine striatal membrane" "CHEMBL" "=" "Bos taurus" "levosulpiride" 1577 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 6.68 "IC50" "Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations." "CHEMBL" "=" "Rattus norvegicus" "levosulpiride" 1577 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 4.82 "Ki" "Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat" "CHEMBL" "=" "Rattus norvegicus" "levosulpiride" 1577 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 4.57 "Ki" "Ability to inhibit [3H]spiperone binding to 5-hydroxytryptamine 2 receptor determined in rat" "CHEMBL" "=" "Rattus norvegicus" "lidocaine" 1579 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.8 "Kd" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" "lidocaine" 1579 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" "lidocaine" 1579 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" 4.98 "IC50" "Modulation of human Nav1.3 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" "lidocaine" 1579 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 5.7 "IC50" "Modulation of human Nav1.4 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" "lidocaine" 1579 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.54 "IC50" "Modulation of human Nav1.7 in open-inactivated state assessed as inhibition of inward current after 4 mins by whole-cell electrophysiology" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" "lidocaine" 1579 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 3.296 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lidocaine" 1579 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL79" "BLOCKER" "Tclin" "Homo sapiens" "lidocaine" 1579 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 3.559 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lidocaine" 1579 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 4.955 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "lidocaine" 1579 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 4.25 "IC50" "Concentration required to inhibit [3H]BTX binding to Sodium channel of rat brain" "CHEMBL" "=" "Rattus norvegicus" "lidocaine" 1579 "Sodium channel protein type X alpha subunit" "Ion channel" "Q62968" "Scn10a" "SCNAA_RAT" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "lidocaine" 1579 "Sodium channel protein type 5 subunit alpha" "Ion channel" "P15389" "Scn5a" "SCN5A_RAT" 4.2 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "lidoflazine" 1580 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.8 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "lidoflazine" 1580 "Equilibrative nucleoside transporter 1" "Transporter" "Q99808" "SLC29A1" "S29A1_HUMAN" 6.55 "Ki" "Inhibition of ENT1 in human K562 cells by flow cytometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lidoflazine" 1580 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 7.11 "Ki" "Inhibition of [3H]- batrachotoxin binding to sodium channel in rat neocortical membrane" "CHEMBL" "=" "Rattus norvegicus" "limaprost" 1581 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D02722" "AGONIST" "Tclin" "Homo sapiens" "lincomycin" 1582 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" "lindane" 1583 "Gamma-aminobutyric acid receptor subunit beta-3" "Ion channel" "P28472" "GABRB3" "GBRB3_HUMAN" 9.05 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA beta3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "lindane" 1583 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.39 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "lindane" 1583 "Gamma-aminobutyric acid receptor subunit beta" "Ion channel" "Q75NA5" "Rdl" "GBRB_MUSDO" 7.96 "IC50" "Inhibition of Musca domestica (house fly) GABA receptor" "CHEMBL" "=" "Musca domestica" "lindane" 1583 "Gamma-aminobutyric acid receptor subunit rho-1" "Ion channel" "P24046" "GABRR1" "GBRR1_HUMAN" 7.04 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA rho1 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "lindane" 1583 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 7.68 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA alpha1beta3gamma2 receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "lindane" 1583 "GABA-A receptor" "Ion channel" "H9U2V9|H9U2W0|H9U2W1" "Rdl1|Rdl2|Rdl3" "H9U2V9_TETUR|H9U2W0_TETUR|H9U2W1_TETUR" "Mechanism of Action; CHEMBL2364024; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "NEGATIVE ALLOSTERIC MODULATOR" "Tetranychus urticae" "lindane" 1583 "GABA-A receptor" "Ion channel" "E0V9W2|E0VY07|E0W492" "E0V9W2_PEDHC|E0VY07_PEDHC|E0W492_PEDHC" "Mechanism of Action; CHEMBL2364025; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15891" "NEGATIVE ALLOSTERIC MODULATOR" "Pediculus humanus subsp. corporis" "lindane" 1583 "GABA-A receptor alpha-6/beta-3/gamma-2" "Ion channel" "P18507|P28472|Q16445" "GABRG2|GABRB3|GABRA6" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA6_HUMAN" 8.31 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA alpha6beta3gamma2 receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "lindane" 1583 "GABA A receptor alpha-1/beta-1/gamma-2" "Ion channel" "P14867|P18505|P18507" "GABRA1|GABRB1|GABRG2" "GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN" 7.17 "IC50" "Displacement of [3H]EBOB from recombinant Homo sapiens (human) GABA alpha1beta1gamma2 receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "linezolid" 1584 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "linezolid" 1584 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.1 "Ki" "Inhibition of MAO-A (unknown origin) by luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "linezolid" 1584 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.77 "IC50" "Compound was evaluated for inhibition of Mono aminoxidase B in rat primary hepatocytes" "CHEMBL" "=" "Rattus norvegicus" "linezolid" 1584 "Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial" "Enzyme" "P31040" "SDHA" "SDHA_HUMAN" 5.09 "IC50" "Inhibition of SDH-A (unknown origin) by ELISA" "CHEMBL" "=" "Tbio" "Homo sapiens" "liothyronine" 1585 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 10.24 "Kd" "Displacement of [125I]T3 from human TRalpha receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "AGONIST" "Tclin" "Homo sapiens" "liothyronine" 1585 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 10.1 "Ki" "Inhibitory activity against [125I]T3 binding to human TRbeta1 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1544" "AGONIST" "Tclin" "Homo sapiens" "liothyronine" 1585 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.62 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "liothyronine" 1585 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.301 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "liothyronine" 1585 "Thyroid hormone receptor beta" "Transcription factor" "P18113" "Thrb" "THB_RAT" 8.74 "IC50" "In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor" "CHEMBL" "=" "Rattus norvegicus" "liothyronine" 1585 "Proliferating cell nuclear antigen" "Nuclear other" "P12004" "PCNA" "PCNA_HUMAN" 5.44 "IC50" "Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "liothyronine" 1585 "THAP domain-containing protein 1" "Unclassified" "Q9NVV9" "THAP1" "THAP1_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "liothyronine" 1585 "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" 5.15 "EC50" "Non-competitive inhibitory activity against recombinant Gamma-aminobutyric acid A (GABA-A) receptor" "CHEMBL" "=" "Rattus norvegicus" "liothyronine" 1585 "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" 4.64 "IC50" "Direct channel-gating action blocked by picrotoxin" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "lisinopril" 1587 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.92 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419213" "INHIBITOR" "Tclin" "Homo sapiens" "lisinopril" 1587 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 7.29 "Ki" "Inhibition of rabbit testis recombinant ACE C domain" "CHEMBL" "=" "Oryctolagus cuniculus" "lisuride" 1588 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.491 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.538 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.11 "Ki" "Affinity towards Dopamine receptor D1" "CHEMBL" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.3 "Ki" "Binding affinity towards Dopamine receptor D2 by displacement of [3H]U-86170." "CHEMBL" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.936 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.4 "Ki" "Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT." "CHEMBL" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.061 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.3 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "lisuride" 1588 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.259 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "lisuride" 1588 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "lisuride" 1588 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.625 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.77 "Ki" "Binding affinity towards Dopamine receptor D3 by displacement of [3H](+)-7-OH-DPAT." "CHEMBL" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 8.5 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "lisuride" 1588 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.721 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.991 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "lisuride" 1588 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "lisuride" 1588 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.203 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 7.796 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.3 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "lisuride" 1588 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.037 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lisuride" 1588 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.78 "Ki" "PDSP" "Tclin" "Homo sapiens" "lisuride" 1588 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.174 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "lisuride" 1588 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.338 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "lisuride" 1588 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.64 "IC50" "CHEMBL" "=" "Rattus norvegicus" "lisuride" 1588 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.52 "Kd" "In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes." "CHEMBL" "=" "Rattus norvegicus" "lisuride" 1588 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.33 "IC50" "CHEMBL" "=" "Rattus norvegicus" "lisuride" 1588 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 9.3 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "lisuride" 1588 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.3 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "lisuride" 1588 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.489 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/Orphan_designation/2011/05/WC500106736.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "lofepramine" 1592 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.699 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.155 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7551" "INHIBITOR" "Tclin" "Homo sapiens" "lofepramine" 1592 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.268 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7551" "INHIBITOR" "Tclin" "Homo sapiens" "lofepramine" 1592 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.337 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.444 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.174 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.481 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.886 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.468 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofepramine" 1592 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.337 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lofexidine" 1593 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.9 "Ki" "Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "lofexidine" 1593 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.17 "Ki" "Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "lofexidine" 1593 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.16 "Ki" "Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "lofexidine" 1593 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 8.25 "Ki" "Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane incubated for 30 mins by gamma counting method" "CHEMBL" "=" "Rattus norvegicus" "lofexidine" 1593 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.6 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.5*10e-9" "CHEMBL" "=" "Rattus norvegicus" "lofexidine" 1593 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.18 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 6.6*10e-7" "CHEMBL" "=" "Rattus norvegicus" "lofexidine" 1593 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.36 "Ki" "Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20040696" "AGONIST" "Tclin" "Homo sapiens" "lomefloxacin" 1594 "DNA gyrase subunit A" "Enzyme" "P43700" "gyrA" "GYRA_HAEIN" 5.15 "IC50" "WOMBAT-PK" "=" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" "lomefloxacin" 1594 "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/CHEMBL561" "INHIBITOR" "Escherichia coli (strain K12)" "lomerizine" 1595 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" 5.61 "IC50" "Inhibition of calcium channel Cav2.2 in IMR32 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "lonazolac" 1597 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 4.35 "IC50" "Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "loperamide" 1599 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.685 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 6.62 "IC50" "Inhibition of human Nav1.5 channel expressed in HEK293 cells at holding potential of -70 mV by whole cell patch clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.824 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL841" "AGONIST" "Tclin" "Homo sapiens" "loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "loperamide" 1599 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.578 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.932 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.583 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.343 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.699 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.519 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "loperamide" 1599 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "O00555" "CACNA1A" "CAC1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "loperamide" 1599 "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" "loperamide" 1599 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.599 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.81 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin" "Homo sapiens" "loperamide" 1599 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.91 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 5.345 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2B" "Ion channel" "Q13224" "GRIN2B" "NMDE2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q14957" "GRIN2C" "NMDE3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "loperamide" 1599 "Glutamate receptor ionotropic, NMDA 2D" "Ion channel" "O15399" "GRIN2D" "NMDE4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "loperamide" 1599 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.23 "Kd" "Binding affinity to human recombinant Tie2 by SPR assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "loperamide" 1599 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.63 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "loperamide" 1599 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.272 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "loperamide" 1599 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.072 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "loperamide" 1599 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.21 "IC50" "CHEMBL" "=" "Rattus norvegicus" "loperamide" 1599 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.8 "Ki" "Binding affinity for Mu opioid receptor of rat brain" "CHEMBL" "=" "Rattus norvegicus" "loperamide" 1599 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 7.3 "Ki" "Binding affinity for delta opioid receptor of rat brain" "CHEMBL" "=" "Rattus norvegicus" "loperamide" 1599 "Cocaine esterase" "Enzyme" "O00748" "CES2" "EST2_HUMAN" 5.39 "IC50" "Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by luminescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "loperamide" 1599 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.57 "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" "loperamide" 1599 "Menin" "Unclassified" "O00255" "MEN1" "MEN1_HUMAN" 4.16 "IC50" "Displacement of FITC-MBM1 from full length human menin measured after 2 hrs by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "loperamide" 1599 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 5.46 "Kd" "Binding affinity to bovine brain CaM by FTPFACE analysis" "CHEMBL" "=" "Bos taurus" "lopinavir" 1601 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.07 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "lopinavir" 1601 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.99 "IC50" "Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "lopinavir" 1601 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "lopinavir" 1601 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.4 "Ki" "Inhibition of HIV1 protease D30N/L63P/N88D mutant" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL729" "INHIBITOR" "Human immunodeficiency virus 1" "lopinavir" 1601 "CAAX prenyl protease 1 homolog" "Enzyme" "Q80W54" "Zmpste24" "FACE1_MOUSE" 4.74 "IC50" "Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast" "CHEMBL" "=" "Mus musculus" "lopinavir" 1601 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 7.6 "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" "lopinavir" 1601 "Protease" "Unclassified" "O90781" "HIV-1 protease" "O90781_9PLVG" 10.59 "Ki" "Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus" "lopinavir" 1601 "Protease" "Unclassified" "Q9YQ30" "HIV-1 protease" "Q9YQ30_9PLVG" 10.54 "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" "loprazolam" 1602 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "loprazolam" 1602 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "loprazolam" 1602 "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" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "loprazolam" 1602 "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" "loracarbef" 1603 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "loracarbef" 1603 "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/CHEMBL1013" "INHIBITOR" "Escherichia coli (strain K12)" "loratadine" 1605 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.77 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "loratadine" 1605 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.94 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "loratadine" 1605 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.807 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "loratadine" 1605 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.97 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL998" "ANTAGONIST" "Tclin" "Homo sapiens" "loratadine" 1605 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.52 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "loratadine" 1605 "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" "loratadine" 1605 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" 4.2 "IC50" "Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "loratadine" 1605 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.51 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "loratadine" 1605 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.14 "Kd" "CHEMBL" "=" "Cavia porcellus" "loratadine" 1605 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.46 "Ki" "Binding affinity to histamine H1 receptor in rat brain membranes was evaluated using [3H]-pyrilamine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "loratadine" 1605 "Sodium-dependent neutral amino acid transporter B(0)AT2" "Transporter" "Q9H2J7" "SLC6A15" "S6A15_HUMAN" 5.4 "IC50" "CHEMBL" "=" "Tbio" "Homo sapiens" "loratadine" 1605 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" 4.2 "IC50" "Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lorazepam" 1606 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 4.89 "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" "lorazepam" 1606 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 8.456 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL580" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "lorcainide" 1607 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "lorcainide" 1607 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "lorcainide" 1607 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "lorcainide" 1607 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "lorcainide" 1607 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "losartan" 1610 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.498 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "losartan" 1610 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 7.72 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" "Tclin" "Homo sapiens" "losartan" 1610 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.54 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.48 "IC50" "Inhibition of angiotensin AT1 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL191" "ANTAGONIST" "Tclin" "Homo sapiens" "losartan" 1610 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 5 "IC50" "In vitro binding affinity of compound against angiotensin II AT-2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "losartan" 1610 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.44 "Ki" "Displacement of [125I]-Sar1-Ile8-A II from rat adrenal Angiotensin-1 (AT-1) receptor" "CHEMBL" "=" "Rattus norvegicus" "losartan" 1610 "Type-2 angiotensin II receptor" "GPCR" "P35351" "Agtr2" "AGTR2_RAT" 5.13 "IC50" "In vitro inhibitory activity against Angiotensin II receptor, type 2 in rat midbrain membrane preparations." "CHEMBL" "=" "Rattus norvegicus" "losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 7.02 "IC50" "Displacement of [125I]AngII from type 1 angiotensin 2 receptor in bovine adrenal cortex" "CHEMBL" "=" "Bos taurus" "losartan" 1610 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 7.84 "Ki" "Binding affinity against angiotensin II receptor from rat liver; n=8" "CHEMBL" "=" "Rattus norvegicus" "losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "P34976" "AGTR1" "AGTR1_RABIT" 8.8 "Kd" "In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings" "CHEMBL" "=" "Oryctolagus cuniculus" "losartan" 1610 "Type-1 angiotensin II receptor" "GPCR" "Q9WV26" "AGTR1" "AGTR1_CAVPO" 7.74 "IC50" "In vitro inhibition of the specific binding of [125I]angiotensin II to a guinea pig adrenal membrane preparation" "CHEMBL" "=" "Cavia porcellus" "losartan" 1610 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 4.89 "IC50" "Inhibition of Phosphodiesterase 3" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "losartan" 1610 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.59 "IC50" "Inhibitory effect in cAMP-specific Phosphodiesterase 4 (PDE 4) isolated from guinea pig ventricular tissue." "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "losartan" 1610 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.72 "Ki" "Displacement of [125I]-Ang II from rat liver membrane angiotensin II type 1 (AT1) receptor" "CHEMBL" "=" "Rattus norvegicus" "losartan" 1610 "Angiotensin II receptor" "GPCR" "P25095|P29089|P35351" "Agtr1|Agtr1b|Agtr2" "AGTRA_RAT|AGTRB_RAT|AGTR2_RAT" 8.34 "IC50" "Displacement of [3H]-AII from the Angiotensin II receptor isolated from the liver of rats" "CHEMBL" "=" "Rattus norvegicus" "losartan" 1610 "Angiotensin II receptor" "GPCR" "P30556|P50052" "AGTR1|AGTR2" "AGTR1_HUMAN|AGTR2_HUMAN" 8.43 "Kd" "Potency to antagonize the ability of angiotensin II to contract rabbit aorta" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "losartan" 1610 "Platelet glycoprotein VI" "Unclassified" "Q9HCN6" "GP6" "GPVI_HUMAN" 4.98 "IC50" "Antagonist activity at GP6 receptor in human platelet rich plasma assessed as inhibition of collagen-induced platelet aggregation preincubated for 5 mins followed by collagen addition measured after 5 mins by turbidimetric method" "CHEMBL" "=" "Tbio" "Homo sapiens" "loteprednol etabonate" 1611 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200865" "AGONIST" "Tclin" "Homo sapiens" "lovastatin" 1612 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.061 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.095 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.807 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 6 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "lovastatin" 1612 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.67 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL503" "INHIBITOR" "Tclin" "Homo sapiens" "lovastatin" 1612 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Hydroxycarboxylic acid receptor 3" "GPCR" "P49019" "HCAR3" "HCAR3_HUMAN" 6.53 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "lovastatin" 1612 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.59 "IC50" "Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 4.92 "IC50" "Inhibition of recombinant HDAC1 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 4.79 "IC50" "Inhibition of recombinant HDAC6 (unknown origin) after 10 mins by fluorimetric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.027 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "lovastatin" 1612 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.697 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "lovastatin" 1612 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.57 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "Electrophorus electricus" "lovastatin" 1612 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.52 "IC50" "Inhibition of rat liver microsomal HMG-CoA reductase" "CHEMBL" "=" "Rattus norvegicus" "lovastatin" 1612 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "Q01237" "Hmgcr" "HMDH_MOUSE" 7.57 "IC50" "In vitro inhibitory activity against isolated enzyme HMG-CoA reductase" "CHEMBL" "=" "Mus musculus" "lovastatin" 1612 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.96 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "Equus caballus" "lovastatin" 1612 "Leukocyte adhesion glycoprotein LFA-1 alpha" "Adhesion" "P20701" "ITGAL" "ITAL_HUMAN" 4.89 "Kd" "Binding affinity to I-domain of human integrin alphaL (amino acid residues 128 to 307) plus initial methionine expressed in Escherichia coli by NMR spectroscopy" "CHEMBL" "=" "Tclin" "Homo sapiens" "lovastatin" 1612 "Acyl-CoA:cholesterol acyltransferase" "Enzyme" "Q95214" "ACAT" "Q95214_RABIT" 4.77 "IC50" "CHEMBL" "=" "Oryctolagus cuniculus" "loxapine" 1613 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.268 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.68 "Ki" "Affinity was evaluated by inhibition of [3H]spiperone binding to COS cells transfected with human dopamine D-2(long) receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "ANTAGONIST" "Tclin" "Homo sapiens" "loxapine" 1613 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.821 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.244 "Ki" "PDSP" "Tclin" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.61 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.62 "Ki" "Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL831" "ANTAGONIST" "Tclin" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.82 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "loxapine" 1613 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.509 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.967 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.66 "IC50" "Binding affinity towards human Dopamine receptor D3" "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "loxapine" 1613 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.125 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "loxapine" 1613 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "loxapine" 1613 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.682 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.297 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "loxapine" 1613 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.26 "IC50" "Inhibition of binding of 1.0 nM [3H]pirenzepine to cloned human Muscarinic acetylcholine receptor M1 expressed in membranes from CHO-K1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.376 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.914 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.087 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.829 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.411 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.46 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.097 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.31 "Ki" "Affinity was evaluated by inhibition of [3H]-spiperone binding to COS cells transfected with human dopamine D-4 receptor" "CHEMBL" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.721 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.276 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.11 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "loxapine" 1613 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.854 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "loxapine" 1613 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 4.7 "IC50" "Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "loxapine" 1613 "Potassium channel subfamily T member 1" "Ion channel" "Q5JUK3" "KCNT1" "KCNT1_HUMAN" 5.36 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "loxapine" 1613 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.68 "Ki" "In vitro binding affinity towards Dopamine receptor D2 in rat tissue homogenate using [3H]-spiperone as radioligand" "CHEMBL" "=" "Rattus norvegicus" "loxapine" 1613 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.22 "IC50" "Binding affinity towards 5-hydroxytryptamine 2A receptor from rat frontal cortex using [3H]ketanserin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "loxapine" 1613 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.37 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "loxapine" 1613 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6 "IC50" "Compound was tested in vitro for its binding affinity towards 5-hydroxytryptamine 2C receptor from rat using [3H]mesulergine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "loxapine" 1613 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6 "IC50" "Binding affinity towards histamine H1 receptor from rat brain membranes using [3H]mepyramine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "loxapine" 1613 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "loxapine" 1613 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.74 "IC50" "In vitro binding affinity towards Alpha-1 adrenergic receptor by the displacement of [3H]prazosin radioligand in rat cortical homogenates" "CHEMBL" "=" "Rattus norvegicus" "loxiglumide" 1614 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 6.71 "IC50" "Displacement of [111In]DTPA-Glu-Gly-[Tyr27(SO3H)]-CCK8 from human CCK1 receptor in A431 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "loxiglumide" 1614 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 6.5 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "loxoprofen" 1615 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5 "IC50" "Inhibition of COX2 in human whole blood assessed as PGE2 biosynthesis after 24 hrs by EIA" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D08149" "INHIBITOR" "Tclin" "Homo sapiens" "loxoprofen" 1615 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.19 "IC50" "Inhibitory potency against Prostaglandin G/H synthase 1 in human whole blood assay" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D08149" "INHIBITOR" "Tclin" "Homo sapiens" "lucanthone" 1616 "DNA-(apurinic or apyrimidinic site) lyase" "Enzyme" "P27695" "APEX1" "APEX1_HUMAN" 5.3 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "lumefantrine" 1617 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.09 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "lumiracoxib" 1618 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.15 "IC50" "Inhibition of COX1" "CHEMBL" "=" "Tclin" "Homo sapiens" "lumiracoxib" 1618 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.4 "IC50" "Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G formation preincubated for 3 mins before 2-AG substrate addition measured after 30 seconds by LC-MS-MS method" "CHEMBL" "=" "Mus musculus" "lumiracoxib" 1618 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.49 "Ki" "Inhibition of human COX2 preincubated before addition of [1-14C]arachidonic acid" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15017615" "INHIBITOR" "Tclin" "Homo sapiens" "lysergide" 1621 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.85 "Ki" "Binding affinity towards Beta-1 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.13 "Ki" "Binding affinity towards Beta-2 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.979 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.856 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.52 "Ki" "Binding affinity towards 5-hydroxytryptamine 2B receptor using [125I]DOI as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.4 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.52 "Kd" "GRAC: human 5-HT7 radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.47 "Ki" "Binding affinity towards Dopamine receptor D5" "CHEMBL" "=" "Tchem" "Homo sapiens" "lysergide" 1621 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.81 "Ki" "Binding affinity towards Histamine H1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.41 "Ki" "Binding affinity towards 5-hydroxytryptamine 1D receptor alpha using [3H]8-OH-DPAT as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "lysergide" 1621 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.25 "Ki" "Binding affinity towards Dopamine receptor D4" "CHEMBL" "=" "Tchem" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 8.05 "Ki" "Binding affinities towards 5-hydroxytryptamine 5A receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.03 "Ki" "Binding affinity towards 5-hydroxytryptamine 1E receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "lysergide" 1621 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.3 "Ki" "Affinity in displacing [3H]8-OH-DPAT from rat hippocampal 5-HT1A receptor." "CHEMBL" "=" "Rattus norvegicus" "lysergide" 1621 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.46 "Ki" "In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI" "CHEMBL" "=" "Rattus norvegicus" "lysergide" 1621 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.7 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "lysergide" 1621 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.42 "Ki" "Compound was tested for binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "lysergide" 1621 "D(1A) dopamine receptor" "GPCR" "Q61616" "Drd1" "DRD1_MOUSE" 6.74 "Ki" "Binding affinities towards Dopamine receptor D1" "CHEMBL" "=" "Mus musculus" "lysergide" 1621 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "lysergide" 1621 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.6 "Ki" "Compound was tested for binding affinity towards 5-hydroxytryptamine 2 receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]ketanserin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "lysine" 1622 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.26 "Ki" "Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.77 "Ki" "Inhibitory activity against human carbonic anhydrase II (hCA II) by using esterase assay method" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.77 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.55 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.99 "Ki" "Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 9.52 "Ki" "Inhibitory constant against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL419" "INHIBITOR" "Escherichia coli (strain K12)" "mafenide" 1624 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.56 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.91 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7.12 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.08 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "mafenide" 1624 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.32 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.49 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mafenide" 1624 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.39 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "Mus musculus" "mafenide" 1624 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 5.55 "Ki" "Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from microsomes at 20 degree C" "CHEMBL" "=" "Bos taurus" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.46 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.55 "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)" "mafenide" 1624 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.01 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.36 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 6.77 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "mafenide" 1624 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.13 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.06 "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)" "mafenide" 1624 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.08 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.29 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "mafenide" 1624 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 4.73 "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" "mafenide" 1624 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.01 "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" "mafenide" 1624 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.06 "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)" "mafenide" 1624 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.37 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "mafenide" 1624 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 4.51 "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)" "mafenide" 1624 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 4.87 "Ki" "CHEMBL" "=" "Anopheles gambiae" "mafenide" 1624 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.7 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "mafenide" 1624 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 6.46 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "malathion" 1626 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 9.538 "Ki" "PDSP" "Tclin" "Homo sapiens" "malathion" 1626 "Acetylcholinesterase" "Enzyme" "A2PZ98" "Ace1" "A2PZ98_9NEOP" "Mechanism of Action; CHEMBL2362988; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200468" "INHIBITOR" "Pediculus humanus capitis" "manidipine" 1631 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.22 "IC50" "CHEMBL" "=" "Trypanosoma cruzi" "manidipine" 1631 "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/8287905" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "maprotiline" 1634 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.308 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.177 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.165 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.364 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.237 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.27 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21731" "INHIBITOR" "Tclin" "Homo sapiens" "maprotiline" 1634 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.921 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.67 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.387 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.383 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "maprotiline" 1634 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 9.854 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.876 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.298 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.367 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "maprotiline" 1634 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.777 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.406 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.845 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.164 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.237 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.939 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.854 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "maprotiline" 1634 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.355 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.71 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "maprotiline" 1634 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "maprotiline" 1634 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.046 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "maprotiline" 1634 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.25 "IC50" "CHEMBL" "=" "Rattus norvegicus" "maprotiline" 1634 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "maprotiline" 1634 "Transient receptor potential cation channel subfamily M member 3" "Ion channel" "Q9HCF6" "TRPM3" "TRPM3_HUMAN" 5.8 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "maraviroc" 1635 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 7.6 "Kd" "Binding affinity to CCR5" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201187" "ANTAGONIST" "Tclin" "Homo sapiens" "maraviroc" 1635 "C-C chemokine receptor type 5" "GPCR" "P51682" "Ccr5" "CCR5_MOUSE" 8.28 "IC50" "Displacement of [125I]-RANTES from CCR5 in mouse NIH/3T3 cells after 1 hr" "CHEMBL" "=" "Mus musculus" "maraviroc" 1635 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.76 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "maraviroc" 1635 "C-C chemokine receptor type 5" "GPCR" "P61813" "CCR5" "CCR5_MACMU" 9.62 "Ki" "Displacement of [125I]-MIP-1alpha from CCR5 in rhesus monkey Chem-1 cell membranes after 120 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Macaca mulatta" "masoprocol" 1637 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.14 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "masoprocol" 1637 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 4.65 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "masoprocol" 1637 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.41 "IC50" "Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "masoprocol" 1637 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.96 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "Tclin" "Homo sapiens" "masoprocol" 1637 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 7.6 "IC50" "Inhibition of recombinant human 5-LOX in human PBML assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins measured after 15 mins by enzyme immunoassay" "CHEMBL" "=" "Tclin" "Homo sapiens" "masoprocol" 1637 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 6.05 "IC50" "Inhibition of IGF1R" "CHEMBL" "=" "Tclin" "Homo sapiens" "masoprocol" 1637 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 6.96 "IC50" "Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)" "CHEMBL" "=" "Tchem" "Homo sapiens" "masoprocol" 1637 "Estradiol 17-beta-dehydrogenase 1" "Enzyme" "P14061" "HSD17B1" "DHB1_HUMAN" 5.26 "IC50" "Inhibition of human 17beta-HSD1 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estrone and NADPH by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "masoprocol" 1637 "Estradiol 17-beta-dehydrogenase 2" "Enzyme" "P37059" "HSD17B2" "DHB2_HUMAN" 6.42 "IC50" "Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "masoprocol" 1637 "Arachidonate 12-lipoxygenase, 12S-type" "Enzyme" "P18054" "ALOX12" "LOX12_HUMAN" 6.96 "IC50" "Inhibition of human platelet-type 12-lipoxygenase" "CHEMBL" "=" "Tchem" "Homo sapiens" "masoprocol" 1637 "Leukotriene B4 receptor 1" "GPCR" "Q15722" "LTB4R" "LT4R1_HUMAN" 7.07 "IC50" "The compound was tested for its inhibitory activity against LTB4 in human PMN" "CHEMBL" "=" "Tchem" "Homo sapiens" "masoprocol" 1637 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.31 "EC50" "Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Calcium-5 dye based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "masoprocol" 1637 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.96 "IC50" "Inhibitory concentration against isolated rabbit reticulocyte 15-lipoxygenase measured in the presence of linoleic acid" "CHEMBL" "=" "Oryctolagus cuniculus" "masoprocol" 1637 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 8 "IC50" "Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells" "CHEMBL" "=" "Rattus norvegicus" "masoprocol" 1637 "Seed linoleate 13S-lipoxygenase-1" "Enzyme" "P08170" "LOX1.1" "LOX1_SOYBN" 6.74 "IC50" "Inhibitory activity against soybean 1-lipoxygenase (SLO)" "CHEMBL" "=" "Glycine max" "masoprocol" 1637 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.3 "IC50" "Inhibition of COX1 in bovine platelets assessed as formation of 12-hydroxyheptadecatrienoic acid by HPLC" "CHEMBL" "=" "Bos taurus" "masoprocol" 1637 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 5.06 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "masoprocol" 1637 "5-lipoxygenase" "Enzyme" "Q9BEG3" "Q9BEG3_BOVIN" 6.4 "IC50" "Inhibitory activity against 5-lipoxygenase (inhibition of 5-HETE and LTB4 biosynthesis) in bovine polymorphonuclear leukocytes (PMNL)." "CHEMBL" "=" "Bos taurus" "masoprocol" 1637 "Arachidonate 5-lipoxygenase" "Enzyme" "P48999" "Alox5" "LOX5_MOUSE" 6.4 "IC50" "Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins before stimulation measured after 2 hrs by ELISA" "CHEMBL" "=" "Mus musculus" "masoprocol" 1637 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.85 "IC50" "In vitro inhibition of Prostaglandin G/H synthase in BSV cell line." "CHEMBL" "=" "Bos taurus" "masoprocol" 1637 "Arachidonate 15-lipoxygenase, type II" "Enzyme" "O15296" "ALOX15B" "LX15B_HUMAN" 4.96 "IC50" "Inhibition of 15-hLO2" "CHEMBL" "=" "Tchem" "Homo sapiens" "masoprocol" 1637 "Lipoxygenase" "Unclassified" "Q39829" "Q39829_SOYBN" 4.29 "IC50" "CHEMBL" "=" "Glycine max" "masoprocol" 1637 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.58 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "masoprocol" 1637 "Fatty acid hydroperoxide lyase, chloroplastic" "Enzyme" "K4CF70" "HPL" "HPL_SOLLC" 4.3 "IC50" "Inhibition of recombinant Solanum lycopersicum (tomato) fatty acid 13-hydroperoxide lyase using (13S)-HPOT substrate by spectrophotometry" "CHEMBL" "=" "Solanum lycopersicum" "masoprocol" 1637 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.31 "EC50" "Agonist activity at human TRPA1 expressed in HEK293 cells assessed as increase in calcium influx by Calcium-5 dye based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "maxacalcitol" 1638 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 9.07 "EC50" "Activation of VDR in human Jurkat cells expressing lentiviral VDRE-luciferase vector assessed as VDRE-mediated transcriptional activity measured after 24 hrs by luciferase transcriptional reporter assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "maxacalcitol" 1638 "Vitamin D3 receptor" "Transcription factor" "P13053" "Vdr" "VDR_RAT" 8.21 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "mazindol" 1640 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.63 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "mazindol" 1640 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.3 "Ki" "Displacement of [125I]- RTI-55 from Serotonin transporter expressed in HEK cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "INHIBITOR" "Tclin" "Homo sapiens" "mazindol" 1640 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 9.3 "Kd" "GRAC: human NET probe" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "INHIBITOR" "Tclin" "Homo sapiens" "mazindol" 1640 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.222 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mazindol" 1640 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 8 "Ki" "GRAC: human DAT selective inhibitor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL781" "INHIBITOR" "Tclin" "Homo sapiens" "mazindol" 1640 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.61 "Ki" "Binding affinity to the serotonin transporter (SERT) measured by displacement of [3H]paroxetine in male wistar rats" "CHEMBL" "=" "Rattus norvegicus" "mazindol" 1640 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 8.06 "Kd" "Binding affinity to a single, sodium-dependent site on the Dopamine transporter in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "mazindol" 1640 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 9.1 "Ki" "Binding affinity against norepinephrine transporter (NET) by displacement of [3H]nisoxetine in male wistar rats" "CHEMBL" "=" "Rattus norvegicus" "mazindol" 1640 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 7.89 "IC50" "Inhibition of mouse DAT expressed in HEK293 cells assessed as reduction in [3H]-DA uptake" "CHEMBL" "=" "Mus musculus" "mebendazole" 1641 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.34 "Ki" "Inhibition of human ABL by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mebendazole" 1641 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.44 "IC50" "Inhibition of VEGFR2 after 60 mins by electrophoretic mobility shift assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mebendazole" 1641 "Calmodulin-domain protein kinase 1" "Kinase" "Q9BJF5" "CDPK1" "Q9BJF5_TOXGO" 6.17 "IC50" "Inhibition of Toxoplasma gondii CDPK1" "CHEMBL" "=" "Toxoplasma gondii" "mebendazole" 1641 "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/CHEMBL685" "INHIBITOR" "Echinococcus granulosus" "mebendazole" 1641 "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/CHEMBL685" "INHIBITOR" "Ascaris suum" "mebhydrolin" 1643 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.119 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01786" "ANTAGONIST" "Tclin" "Homo sapiens" "mebhydrolin" 1643 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "mebhydrolin" 1643 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.745 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mebhydrolin" 1643 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.921 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.161 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mecamylamine" 1646 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 6.22 "IC50" "CHEMBL" "=" "Torpedo californica" "mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNB4|CHRNA2" "ACHB4_HUMAN|ACHA2_HUMAN" 5.51 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha2-beta4" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 5.602 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNB4|CHRNA3" "ACHB4_HUMAN|ACHA3_HUMAN" 6.222 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL267936" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P17787|P32297" "CHRNB2|CHRNA3" "ACHB2_HUMAN|ACHA3_HUMAN" 6.55 "IC50" "Inhibitory concentration against Nicotinic acetylcholine receptor alpha3-beta2" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" 6.48 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3" "Ion channel" "P17787|P32297|Q05901|Q15825" "CHRNB2|CHRNA3|CHRNB3|CHRNA6" "ACHB2_HUMAN|ACHA3_HUMAN|ACHB3_HUMAN|ACHA6_HUMAN" 4.96 "IC50" "GRAC: human AChR-alpha6-alpha3-beta2-beta3 [chimera] commonly used antagonist" "CHEMBL" "=" "Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin" "Homo sapiens" "mecamylamine" 1646 "Acetylcholine receptor subunit alpha" "Ion channel" "P02708" "CHRNA1" "ACHA_HUMAN" 5.82 "IC50" "IUPHAR" "~" "BLOCKER" "Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 6.41 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P43681" "CHRNA4" "ACHA4_HUMAN" 6.48 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "mecamylamine" 1646 "Neuronal acetylcholine receptor subunit alpha-6" "Ion channel" "Q15825" "CHRNA6" "ACHA6_HUMAN" 4.96 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "mecillinam" 1648 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 7.035 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL530" "INHIBITOR" "Escherichia coli (strain K12)" "meclozine" 1649 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" 7.16 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "meclozine" 1649 "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/CHEMBL1623" "ANTAGONIST" "Tclin" "Homo sapiens" "meclozine" 1649 "Constitutive androstane receptor" "Nuclear hormone receptor" "O35627" "Nr1i3" "NR1I3_MOUSE" 7.6 "EC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "meclozine" 1649 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 5.7 "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" "meclofenamic acid" 1650 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "INHIBITOR" "Tclin" "Homo sapiens" "meclofenamic acid" 1650 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.66 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "INHIBITOR" "Tclin" "Homo sapiens" "meclofenamic acid" 1650 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 4.3 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "meclofenamic acid" 1650 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.19 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "meclofenamic acid" 1650 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 5.5 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "meclofenamic acid" 1650 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 5.06 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "meclofenamic acid" 1650 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.27 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "meclofenamic acid" 1650 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.33 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL509" "INHIBITOR" "Tclin" "Homo sapiens" "meclofenamic acid" 1650 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 5.05 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "Tchem" "Homo sapiens" "meclofenamic acid" 1650 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 6.59 "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" "meclofenamic acid" 1650 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.503 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "meclofenamic acid" 1650 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 6.7 "IC50" "Inhibition of the murine wild type Prostaglandin G/H synthase 2" "CHEMBL" "=" "Mus musculus" "meclofenamic acid" 1650 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 7.3 "IC50" "Inhibition of the ovine Prostaglandin G/H synthase 1 was determined by thin-layer chromatography assay" "CHEMBL" "=" "Ovis aries" "meclofenamic acid" 1650 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 4.62 "IC50" "Compound was evaluated for its inhibitory activity against 5-LO (5-lipoxygenase)" "CHEMBL" "=" "Rattus norvegicus" "meclofenamic acid" 1650 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 7 "IC50" "Compound was evaluated for its inhibitory activity against CO(cyclooxygenase)" "CHEMBL" "=" "Rattus norvegicus" "medazepam" 1654 "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" 6.28 "Ki" "In vitro binding affinity against benzodiazepine receptor using [3H]diazepam as radioligand" "CHEMBL" "=" "Rattus norvegicus" "medetomidine" 1655 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.72 "Ki" "Tested for its binding affinity against alpha-2 receptor in rat brain membrane" "CHEMBL" "=" "Rattus norvegicus" "medetomidine" 1655 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.96 "Ki" "Alpha-1 adrenergic receptor binding affinity in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "medetomidine" 1655 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" 8.52 "EC50" "Tested for its inhibitory activity against alpha-2 adrenoceptor in guinea pig ileum" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "medetomidine" 1655 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1D|ADRA1A|ADRA1B" "ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" 5.93 "EC50" "Tested for its inhibitory activity against alpha-1 adrenoceptor in guinea pig ileum" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "medroxalol" 1658 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.82 "pA2" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "medroxalol" 1658 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.08 "pA2" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "medroxyprogesterone" 1659 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.561 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "medroxyprogesterone" 1659 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.88 "Ki" "Inhibition of Dexamethasone binding to human glucocorticoid receptor expressed in baculovirus SF-12 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "medroxyprogesterone" 1659 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 5.92 "IC50" "Inhibitory activity against human Mineralocorticoid receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "medroxyprogesterone" 1659 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "medroxyprogesterone" 1659 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.59 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL717" "AGONIST" "Tclin" "Homo sapiens" "medroxyprogesterone" 1659 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 5.74 "IC50" "Inhibition of human recombinant AKR1C1 expressed in Escherichia coli assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "medroxyprogesterone" 1659 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 5.39 "IC50" "Inhibition of recombinant AKR1C2 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "medroxyprogesterone" 1659 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.52 "IC50" "Inhibition of recombinant AKR1C3 (unknown origin) assessed as decrease in oxidation of 1-acenaphthenol substrate by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "medroxyprogesterone" 1659 "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" "medroxyprogesterone" 1659 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "medroxyprogesterone" 1659 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.45 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "medroxyprogesterone" 1659 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.032 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "medroxyprogesterone" 1659 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 8.21 "EC50" "Effective concentration against Androgen receptor" "CHEMBL" "=" "Mus musculus" "medroxyprogesterone" 1659 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" 6.03 "IC50" "Inhibition of binding to human estrogen receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "medrysone" 1662 "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/CHEMBL1201173" "AGONIST" "Tclin" "Homo sapiens" "mefenamic acid" 1663 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.83 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "INHIBITOR" "Tclin" "Homo sapiens" "mefenamic acid" 1663 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.78 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL686" "INHIBITOR" "Tclin" "Homo sapiens" "mefenamic acid" 1663 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.301 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mefenamic acid" 1663 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.11 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "mefenamic acid" 1663 "Aldo-keto reductase family 1 member C1" "Enzyme" "Q04828" "AKR1C1" "AK1C1_HUMAN" 6.09 "Ki" "Inhibition of human recombinant AKR1C1 assessed as 1-acenaphthenol oxidation by spectrophotometry" "CHEMBL" "=" "Tchem" "Homo sapiens" "mefenamic acid" 1663 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 6.66 "Ki" "Inhibition of human recombinant AKR1C2 assessed as 1-acenaphthenol oxidation by spectrophotometry" "CHEMBL" "=" "Tchem" "Homo sapiens" "mefenamic acid" 1663 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.52 "Ki" "Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry" "CHEMBL" "=" "Tchem" "Homo sapiens" "mefenamic acid" 1663 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 6.01 "IC50" "Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "mefenamic acid" 1663 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 5.21 "IC50" "Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate assessed as ROS-induced enzyme inactivation preincubated for 10 mins followed by substrate addition measured every 30 secs for 20 mins in presence of horseradish peroxidase and H2O2" "CHEMBL" "=" "Torpedo californica" "mefenamic acid" 1663 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.8 "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" "mefenamic acid" 1663 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 5.8 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "mefenamic acid" 1663 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.8 "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" "mefenamic acid" 1663 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 10.3 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "mefloquine" 1665 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.91 "Ki" "Binding affinity to human adenosine A2A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "mefloquine" 1665 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.25 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mefloquine" 1665 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "mefloquine" 1665 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.91 "Ki" "Binding affinity to human adenosine A1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "mefloquine" 1665 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "mefloquine" 1665 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.6 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "mefloquine" 1665 "Protein kinase Pfmrk" "Unclassified" "P90584" "Pfmrk" "P90584_PLAFA" 4.92 "IC50" "Inhibition of Plasmodium falciparum cyclin-dependent kinase" "CHEMBL" "=" "Plasmodium falciparum" "megestrol acetate" 1667 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "megestrol acetate" 1667 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.057 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "megestrol acetate" 1667 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201139" "AGONIST" "Tclin" "Homo sapiens" "megestrol acetate" 1667 "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" "megestrol acetate" 1667 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.699 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "megestrol acetate" 1667 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.842 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "meglutol" 1670 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.63 "Ki" "Inhibitory constant against HMG-CoA reductase" "CHEMBL" "=" "Tclin" "Homo sapiens" "melatonin" 1672 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "melatonin" 1672 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 7.56 "Ki" "Ability to inhibit 2-[125I]iodomelatonin specific binding to melatonin receptor 3 (MT3) of Syrian hamster brain." "CHEMBL" "=" "Tchem" "Homo sapiens" "melatonin" 1672 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 9.4 "EC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=224" "AGONIST" "Tclin" "Homo sapiens" "melatonin" 1672 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 9.7 "EC50" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=224" "AGONIST" "Tclin" "Homo sapiens" "melatonin" 1672 "Nuclear receptor ROR-alpha" "Nuclear hormone receptor" "P35398" "RORA" "RORA_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "melatonin" 1672 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.52 "IC50" "Inhibition of MPO (unknown origin) using H2O2 as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "melatonin" 1672 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 9.3 "Ki" "Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method" "CHEMBL" "=" "Tclin" "Homo sapiens" "melatonin" 1672 "Melatonin receptor type 1B" "GPCR" "P51050" "MTR1B_CHICK" 9.15 "Ki" "Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]iodomelatonin as radioligand" "CHEMBL" "=" "Gallus gallus" "melatonin" 1672 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 4.85 "Ki" "Mixed type inhibition of human hepatic microsomes CYP1B1 expressed in supersomes coexpressing NADPH-cytochrome P450 reductase using 7-Ethoxyresorufin as substrate measured every 30 secs for 3 mins in presence of NADPH by spectrofluorometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "melatonin" 1672 "Melatonin receptor" "GPCR" "P49285|P49288|P51050" "MTR1A_CHICK|MTR1C_CHICK|MTR1B_CHICK" 9.75 "Ki" "Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2" "CHEMBL" "=" "Gallus gallus" "melatonin" 1672 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.52 "IC50" "Inhibition of MPO (unknown origin) using H2O2 as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "melatonin" 1672 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 9.3 "Ki" "Displacement of [3H]-N-alpha-methylhistamine from human H3 receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method" "CHEMBL" "=" "Tclin" "Homo sapiens" "meloxicam" 1676 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.8 "IC50" "Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL599" "INHIBITOR" "Tclin" "Homo sapiens" "meloxicam" 1676 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.85 "IC50" "In vitro for its inhibitory activity against human whole blood Prostaglandin G/H synthase 1" "CHEMBL" "=" "Tclin" "Homo sapiens" "meloxicam" 1676 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 6.82 "IC50" "Inhibition of mouse COX-2 expressed in baculovirus infected Sf21 insect cells assessed as reduction in oxygen consumption using arachidonic acid as substrate incubated for 12 mins followed by substrate addition measured for 2 mins" "CHEMBL" "=" "Mus musculus" "meloxicam" 1676 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6 "IC50" "Inhibition of sheep seminal vesicle COX-1 assessed as reduction in oxygen consumption using arachidonic acid as substrate incubated for 12 mins followed by substrate addition measured for 2 mins" "CHEMBL" "=" "Ovis aries" "meloxicam" 1676 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.86 "IC50" "Inhibition of ovine COX2 after 5 mins by enzyme immuno assay" "CHEMBL" "=" "Ovis aries" "melperone" 1677 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.979 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "melperone" 1677 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.82 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "melperone" 1677 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "melperone" 1677 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.658 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "melperone" 1677 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.717 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "melperone" 1677 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.678 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "melperone" 1677 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.74 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "melperone" 1677 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.063 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "melperone" 1677 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.237 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "melperone" 1677 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.62 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "melperone" 1677 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.357 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "melperone" 1677 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.469 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "melperone" 1677 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "melperone" 1677 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.387 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "melphalan" 1678 "L-type amino acid transporter 1" "Transporter" "Q63016" "Slc7a5" "LAT1_RAT" 4.26 "Ki" "Inhibition of LAT1-mediated L-[14C]leucine uptake in Sprague-Dawley rat brain by duel-labeled liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "memantine" 1679 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "memantine" 1679 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1699" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "memantine" 1679 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "Q05586" "GRIN1" "NMDZ1_HUMAN" 5.02 "IC50" "Inhibition of NMDA NR1/NR2B receptor expressed in xenopus oocytes assessed as inhibition of NMDA and glycine-induced current response by two-electrode voltage clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1699" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "memantine" 1679 "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" "memantine" 1679 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q00961" "Grin2c" "NMDE3_RAT" 6.15 "Ki" "Compound with the N-methyl-D-aspartate glutamate receptor blocking activity" "CHEMBL" "=" "Rattus norvegicus" "memantine" 1679 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDZ1_HUMAN|NMDE2_HUMAN" 5.26 "IC50" "Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assessed as LDH release after 30 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1699" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "memantine" 1679 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDZ1_HUMAN|NMDE1_HUMAN" 9.02 "IC50" "Antagonist activity at recombinant GluN1/GluN2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glycine/glutamate-induced inward current at -70mV by two-electrode voltage clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1699" "NEGATIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "menadione" 1683 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4 "IC50" "Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "menadione" 1683 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.92 "Ki" "Inhibitory concentration against human glutathione reductase (In presence of glutathione disulfide)" "CHEMBL" "=" "Tclin" "Homo sapiens" "menadione" 1683 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.4 "Ki" "Competitive inhibition of human recombinant MAO-B expressed in baculovirus infected insect cells using benzylamine as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "menadione" 1683 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.59 "Ki" "Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected insect cells using p-tyramine as substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "menadione" 1683 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 6 "IC50" "Inhibition of purified human recombinant IDO" "CHEMBL" "=" "Tchem" "Homo sapiens" "menadione" 1683 "M-phase inducer phosphatase 2" "Enzyme" "P30305" "CDC25B" "MPIP2_HUMAN" 5.66 "IC50" "Inhibition of MBP-fused recombinant wild type CDC25B3 using fluorescein 3,6 diphosphate as substrate measured for 30 mins in presence of 1 mM dithiothreitol" "CHEMBL" "=" "Tchem" "Homo sapiens" "menadione" 1683 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.26 "IC50" "Concentration required for inhibition of Trypanothione reductase (TcTR) from Trypanosoma cruzi in the presence of 50 uM TS2 as substrate" "CHEMBL" "=" "Trypanosoma cruzi" "menadione" 1683 "Dual specificity phosphatase Cdc25C" "Enzyme" "P30307" "CDC25C" "MPIP3_HUMAN" 4.73 "IC50" "Inhibitory concentration for human cell division cycle 25 degree C phosphatase" "CHEMBL" "=" "Tchem" "Homo sapiens" "menadione" 1683 "Ubiquitin carboxyl-terminal hydrolase isozyme L3" "Enzyme" "P15374" "UCHL3" "UCHL3_HUMAN" 4.15 "IC50" "Inhibition of UCHL3 in human H1299 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "menadione" 1683 "Dual specificity phosphatase Cdc25A" "Enzyme" "P30304" "CDC25A" "MPIP1_HUMAN" 5.16 "IC50" "Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "menadione" 1683 "Dual specificity protein phosphatase 6" "Enzyme" "Q64346" "Dusp6" "DUS6_RAT" 4.69 "IC50" "Inhibition of histidine-tagged rat recombinant MKP3 catalytic domain expressed in Escherichia coli BL21(DE3)" "CHEMBL" "=" "Rattus norvegicus" "menadione" 1683 "Dual specificity protein phosphatase 1" "Enzyme" "P28563" "Dusp1" "DUS1_MOUSE" 4.62 "IC50" "Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells" "CHEMBL" "=" "Mus musculus" "menadione" 1683 "M-phase inducer phosphatase 1" "Enzyme" "P30304" "CDC25A" "MPIP1_HUMAN" 5.16 "IC50" "Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "menadione" 1683 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4 "IC50" "Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "menadione sodium bisulfite" 1684 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.09 "IC50" "Inhibitory activity measured against rat lens aldose reductase using 3-pyridinecarboxaldehyde as substrate" "CHEMBL" "=" "Rattus norvegicus" "menatetrenone" 1685 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.74 "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" "pecazine" 1688 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.263 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.119 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.73 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.959 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.485 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.587 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.069 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "pecazine" 1688 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.742 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.167 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.504 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.721 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.697 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.398 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.721 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.553 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.237 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pecazine" 1688 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.469 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "pecazine" 1688 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.411 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "pecazine" 1688 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.84 "IC50" "CHEMBL" "=" "Rattus norvegicus" "pecazine" 1688 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 7.01 "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" "pecazine" 1688 "Mucosa-associated lymphoid tissue lymphoma translocation protein 1" "Enzyme" "Q9UDY8" "MALT1" "MALT1_HUMAN" 6.38 "IC50" "Inhibition of GST-MALT1 (325 to 760 residues) (unknown origin) using Ac-LRSR-AMC as substrate by fluorescence analysis" "CHEMBL" "=" "Homo sapiens" "mepenzolate" 1689 "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/CHEMBL524004" "ANTAGONIST" "Tclin" "Homo sapiens" "mepenzolate" 1689 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.17 "Ki" "Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "mepenzolate" 1689 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.59 "Ki" "Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by scintillation counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524004" "ANTAGONIST" "Tclin" "Homo sapiens" "mepenzolate" 1689 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.19 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "pethidine" 1690 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.04 "Ki" "Inhibition of [3H]DAMGO binding to mu-opioid receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL607" "AGONIST" "Tclin" "Homo sapiens" "pethidine" 1690 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.49 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "pethidine" 1690 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pethidine" 1690 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.625 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pethidine" 1690 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pethidine" 1690 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.65 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "pethidine" 1690 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.39 "Ki" "Displacement of [3H]paroxetine from serotonin transporter (SERT)" "CHEMBL" "=" "Rattus norvegicus" "pethidine" 1690 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 4.75 "Ki" "Displacement of [3H]WIN-35428 from dopamine transporter (DAT)" "CHEMBL" "=" "Rattus norvegicus" "pethidine" 1690 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 6.35 "Ki" "Binding affinity against mu opioid receptor was determined in brain membrane preparations from male Hartley guinea-pigs" "CHEMBL" "=" "Cavia porcellus" "pethidine" 1690 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 6.15 "EC50" "Displacement of radiolabeled dihydromorphine from opioid receptor in rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "pethidine" 1690 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Sigmar1|Oprd1|Oprk1|Oprm1" "SGMR1_MOUSE|OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE" 6.3 "IC50" "Tested for displacement of radioligand [3H]-Naloxone from opiate receptor" "CHEMBL" "=" "Mus musculus" "pethidine" 1690 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.65 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "mephentermine" 1694 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201234" "AGONIST" "Tclin" "Homo sapiens" "mephenytoin" 1695 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A" "SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL861" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "methylphenobarbital" 1696 "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" "mepivacaine" 1700 "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/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" "mepivacaine" 1700 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" "mepivacaine" 1700 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" "mepivacaine" 1700 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" "mepivacaine" 1700 "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/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" "mepivacaine" 1700 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" "mepivacaine" 1700 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1087" "BLOCKER" "Tclin" "Homo sapiens" "meprednisone" 1702 "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/CHEMBL1201148" "AGONIST" "Tclin" "Homo sapiens" "meprobamate" 1704 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.821 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "meprobamate" 1704 "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/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "meprobamate" 1704 "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/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "meprobamate" 1704 "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/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "meprobamate" 1704 "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/CHEMBL979" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "meproscillarin" 1705 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "meptazinol" 1706 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.72 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "meptazinol" 1706 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 4.39 "IC50" "Inhibition of mouse brain AChE" "CHEMBL" "=" "Mus musculus" "meptazinol" 1706 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 4.82 "IC50" "Inhibition of mouse serum BChE" "CHEMBL" "=" "Mus musculus" "meptazinol" 1706 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.72 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "meptazinol" 1706 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.06 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6141283" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "mequitazine" 1707 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.237 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mequitazine" 1707 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.252 "Ki" "PDSP" "Tclin" "Homo sapiens" "mequitazine" 1707 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.854 "Ki" "PDSP" "Tclin" "Homo sapiens" "mequitazine" 1707 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.276 "Ki" "PDSP" "Tclin" "Homo sapiens" "mequitazine" 1707 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.955 "Ki" "PDSP" "Tclin" "Homo sapiens" "mequitazine" 1707 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.959 "Ki" "PDSP" "Tclin" "Homo sapiens" "mequitazine" 1707 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.66 "IC50" "Inhibition of Trypanosoma cruzi Trypanothione reductase" "CHEMBL" "=" "Trypanosoma cruzi" "mequitazine" 1707 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8 "Ki" "CHEMBL" "=" "Cavia porcellus" "mequitazine" 1707 "Trypanothione reductase" "Enzyme" "Q389T8" "Q389T8_TRYB2" 4.27 "IC50" "Inhibition of Trypanosoma brucei Trypanothione reductase" "CHEMBL" "=" "Trypanosoma brucei brucei (strain 927/4 GUTat10.1)" "mercaptopurine" 1708 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.789 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mercaptopurine" 1708 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "mercaptopurine" 1708 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mercaptopurine" 1708 "Purine nucleoside phosphorylase" "Enzyme" "P00491" "PNP" "PNPH_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "mercaptopurine" 1708 "Amidophosphoribosyltransferase" "Enzyme" "Q06203" "PPAT" "PUR1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200751" "INHIBITOR" "Tclin" "Homo sapiens" "mercaptopurine" 1708 "Thiopurine S-methyltransferase" "Enzyme" "P51580" "TPMT" "TPMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "mercaptopurine" 1708 "Purine nucleoside phosphorylase" "Enzyme" "P9WP01" "punA" "PUNA_MYCTU" 4.1 "Kd" "Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "meropenem" 1709 "Penicillin-binding protein 2" "Enzyme" "Q9X6V3" "pbpA" "Q9X6V3_PSEAI" "WOMBAT-PK" "Pseudomonas aeruginosa" "meropenem" 1709 "Penicillin-binding protein 4" "Enzyme" "Q5D1E9" "Q5D1E9_STAAU" "WOMBAT-PK" "Staphylococcus aureus" "meropenem" 1709 "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" "meropenem" 1709 "Penicillin-binding protein 1" "Enzyme" "A1KS91" "ponA" "A1KS91_NEIMF" "WOMBAT-PK" "Neisseria meningitidis serogroup C / serotype 2a (strain ATCC 700532 / DSM 15464 / FAM18)" "meropenem" 1709 "D-alanyl-D-alanine carboxypeptidase; D-alanyl-D-alanine carboxypeptidase penicillin-binding protein 6" "Enzyme" "Q7CHG0" "dacC" "Q7CHG0_YERPE" "WOMBAT-PK" "Yersinia pestis" "meropenem" 1709 "D-alanyl-D-alanine carboxypeptidase DacB" "Enzyme" "P24228" "dacB" "DACB_ECOLI" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL127" "INHIBITOR" "Escherichia coli (strain K12)" "meropenem" 1709 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.9 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "meropenem" 1709 "Beta-lactamase class B VIM-2" "Unclassified" "Q9K2N0" "blaVIM-2" "Q9K2N0_PSEAI" 4.92 "Kd" "CHEMBL" "=" "Pseudomonas aeruginosa" "meropenem" 1709 "Beta-lactamase NDM-1" "Enzyme" "C7C422" "blaNDM-1" "BLAN1_KLEPN" 4.96 "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" "meropenem" 1709 "Beta-lactamase" "Enzyme" "Q6XEC0" "bla OXA-48" "Q6XEC0_KLEPN" 6.07 "Kd" "Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli assessed as dissociation constant by SPR assay" "CHEMBL" "=" "Klebsiella pneumoniae" "mesalazine" 1710 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.12 "IC50" "Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based enzyme immunoassay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL704" "INHIBITOR" "Tclin" "Homo sapiens" "mesalazine" 1710 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL704" "INHIBITOR" "Tclin" "Homo sapiens" "mesalazine" 1710 "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/CHEMBL704" "INHIBITOR" "Tclin" "Homo sapiens" "mesalazine" 1710 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2700" "AGONIST" "Tclin" "Homo sapiens" "mesalazine" 1710 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 4.7 "IC50" "Inhibition of TNFalpha (unknown origin)-induced adhesion of BCECF fluorescence-labeled human U937 cells to human HT-29 cells pretreated for 1 hr followed by BCECF fluorescence-labeled human U937 cell/TNFalpha addition and measured after 3 hrs by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mesalazine" 1710 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.11 "IC50" "Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based enzyme immunoassay" "CHEMBL" "=" "Ovis aries" "mesalazine" 1710 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.11 "IC50" "Inhibition of ovine COX1 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mins by fluorescence based enzyme immunoassay" "CHEMBL" "=" "Ovis aries" "mesalazine" 1710 "Hydroxyacid oxidase 1" "Enzyme" "Q9WU19" "Hao1" "HAOX1_MOUSE" 5.11 "IC50" "Inhibition of mouse recombinant glycolate oxidase expressed in Escherichia coli using glycolate as substrate by sulfonated DCIP dye-based assay" "CHEMBL" "=" "Mus musculus" "mesoridazine" 1712 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.99 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "mesoridazine" 1712 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.724 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088" "ANTAGONIST" "Tclin" "Homo sapiens" "mesoridazine" 1712 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.5 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.98 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "mesoridazine" 1712 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.125 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1088" "ANTAGONIST" "Tclin" "Homo sapiens" "mesoridazine" 1712 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.804 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.42 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "mesoridazine" 1712 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.585 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.744 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.824 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.046 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.721 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.222 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mesoridazine" 1712 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.041 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "mestranol" 1714 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.647 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mestranol" 1714 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.658 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mestranol" 1714 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.863 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mestranol" 1714 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.282 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201151" "AGONIST" "Tclin" "Homo sapiens" "mestranol" 1714 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.147 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "mestranol" 1714 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 4.958 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "orciprenaline" 1720 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.3 "Kd" "Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL776" "AGONIST" "Tclin" "Homo sapiens" "orciprenaline" 1720 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.04 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "metaraminol" 1721 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201319" "AGONIST" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.562 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "metergoline" 1723 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.432 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.678 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.658 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.504 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.44 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.64 "Ki" "Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in CHOK1 cells after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 9.3 "Ki" "Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand." "CHEMBL" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.2 "Ki" "Displacement of [3H]5CT from 5HT7 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.124 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.583 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.319 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.018 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "metergoline" 1723 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.569 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.301 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.699 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.42 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.872 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "metergoline" 1723 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "metergoline" 1723 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.867 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "metergoline" 1723 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.839 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "metergoline" 1723 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.6 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "metergoline" 1723 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.02 "IC50" "CHEMBL" "=" "Rattus norvegicus" "metergoline" 1723 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.22 "Ki" "Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "metergoline" 1723 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.2 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "metergoline" 1723 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "metergoline" 1723 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "metergoline" 1723 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7.7 "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" "metergoline" 1723 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.52 "Ki" "Binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 (5-HT2) receptor using [3H]KET as a radioligand" "CHEMBL" "=" "Rattus norvegicus" "metformin" 1725 "5'-AMP-activated protein kinase subunit beta-1" "Kinase" "Q9Y478" "PRKAB1" "AAKB1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "metformin" 1725 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 4.54 "IC50" "Inhibition of DPP4" "CHEMBL" "=" "Tclin" "Homo sapiens" "metformin" 1725 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 2.697 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "metformin" 1725 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 3.401 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "metformin" 1725 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 2.499 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "metformin" 1725 "Mitochondrial complex I (NADH dehydrogenase)" "Enzyme" "O00217|O00483|O14561|O15239|O43181|O43674|O43676|O43677|O43678|O43920|O75251|O75306|O75380|O75438|O75489|O95139|O95167|O95168|O95169|O95178|O95182|O95298|O95299|O96000|P03886|P03891|P03897|P03901|P03905|P03915|P03923|P17568|P19404|P28331|P49821|P51970|P56181|P56556|Q16718|Q16795|Q86Y39|Q8N183|Q9BU61|Q9NRX3|Q9NX14|Q9P032|Q9P0J0|Q9UI09|Q9Y375|Q9Y6M9" "NDUFS8|NDUFA4|NDUFAB1|NDUFA1|NDUFS4|NDUFB5|NDUFB3|NDUFC1|NDUFA2|NDUFS5|NDUFS7|NDUFS2|NDUFS6|NDUFB1|NDUFS3|NDUFB6|NDUFA3|NDUFB4|NDUFB8|NDUFB2|NDUFA7|NDUFC2|NDUFA10|NDUFB10|MT-ND1|MT-ND2|MT-ND3|MT-ND4L|MT-ND4|MT-ND5|MT-ND6|NDUFB7|NDUFV2|NDUFS1|NDUFV1|NDUFA8|NDUFV3|NDUFA6|NDUFA5|NDUFA9|NDUFA11|NDUFAF2|NDUFAF3|NDUFA4L2|NDUFB11|NDUFAF4|NDUFA13|NDUFA12|NDUFAF1|NDUFB9" "NDUS8_HUMAN|NDUA4_HUMAN|ACPM_HUMAN|NDUA1_HUMAN|NDUS4_HUMAN|NDUB5_HUMAN|NDUB3_HUMAN|NDUC1_HUMAN|NDUA2_HUMAN|NDUS5_HUMAN|NDUS7_HUMAN|NDUS2_HUMAN|NDUS6_HUMAN|NDUB1_HUMAN|NDUS3_HUMAN|NDUB6_HUMAN|NDUA3_HUMAN|NDUB4_HUMAN|NDUB8_HUMAN|NDUB2_HUMAN|NDUA7_HUMAN|NDUC2_HUMAN|NDUAA_HUMAN|NDUBA_HUMAN|NU1M_HUMAN|NU2M_HUMAN|NU3M_HUMAN|NU4LM_HUMAN|NU4M_HUMAN|NU5M_HUMAN|NU6M_HUMAN|NDUB7_HUMAN|NDUV2_HUMAN|NDUS1_HUMAN|NDUV1_HUMAN|NDUA8_HUMAN|NDUV3_HUMAN|NDUA6_HUMAN|NDUA5_HUMAN|NDUA9_HUMAN|NDUAB_HUMAN|MIMIT_HUMAN|NDUF3_HUMAN|NUA4L_HUMAN|NDUBB_HUMAN|NDUF4_HUMAN|NDUAD_HUMAN|NDUAC_HUMAN|CIA30_HUMAN|NDUB9_HUMAN" "Mechanism of Action; CHEMBL2363065; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1703" "INHIBITOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "methacholine" 1726 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.638 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methacholine" 1726 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.23 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "Tclin" "Homo sapiens" "methacholine" 1726 "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/CHEMBL978" "AGONIST" "Tclin" "Homo sapiens" "methacholine" 1726 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.8 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine receptor M4" "CHEMBL" "=" "Tclin" "Homo sapiens" "methacholine" 1726 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.23 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "methacholine" 1726 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 6.4 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "methacholine" 1726 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 6.92 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "methacholine" 1726 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 5.8 "Ki" "Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M4 in rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "metacycline" 1727 "DNA repair protein RAD52 homolog" "Nuclear other" "P43351" "RAD52" "RAD52_HUMAN" 5.7 "IC50" "Inhibition of RAD52 (unknown origin) assessed as reduction in RAD52-ssDNA interaction using Cy3-dT30-Cy5 ssDNA by FRET assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "methadone" 1728 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.78 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL651" "AGONIST" "Tclin" "Homo sapiens" "methadone" 1728 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.01 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "methadone" 1728 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.29 "IC50" "Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "methadone" 1728 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "methadone" 1728 "Neuronal acetylcholine receptor subunit alpha-10" "Ion channel" "Q9GZZ6" "CHRNA10" "ACH10_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "methadone" 1728 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.96 "IC50" "Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "methadone" 1728 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 7.29 "IC50" "Displacement of [3H]naloxone from Sprague-Dawley rat cerebellum opioid receptor assessed as relative receptor affinity by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "acetylmethadol" 1729 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.66 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "acetylmethadol" 1729 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "KEGG DRUG" "https://pubmed.ncbi.nlm.nih.gov/19153939" "http://www.kegg.jp/entry/D04973" "AGONIST" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.383 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.08 "Ki" "Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.133 "Ki" "PDSP" "=" "INHIBITOR" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.91 "Ki" "PDSP" "INHIBITOR" "Tclin" "Homo sapiens" "methamphetamine" 1732 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.128 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.09 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.611 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201201" "INHIBITOR" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.89 "EC50" "Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "methamphetamine" 1732 "Synaptic vesicular amine transporter" "Transporter" "Q01827" "Slc18a2" "VMAT2_RAT" 5.61 "Ki" "Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy" "CHEMBL" "=" "Rattus norvegicus" "methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 5.28 "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" "methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 6.88 "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" "methamphetamine" 1732 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 7.15 "EC50" "Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins" "CHEMBL" "=" "Mus musculus" "methanthelinium" 1736 "Muscarinic acetylcholine receptor" "GPCR" "P08172|P08173|P08912|P11229|P20309" "CHRM2|CHRM4|CHRM5|CHRM1|CHRM3" "ACM2_HUMAN|ACM4_HUMAN|ACM5_HUMAN|ACM1_HUMAN|ACM3_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00721" "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" "Homo sapiens" "methapyrilene" 1738 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.36 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.975 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "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" "methapyrilene" 1738 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.745 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.27 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.409 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.843 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "methapyrilene" 1738 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.82 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.745 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.939 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.228 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.63 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.66 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methapyrilene" 1738 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.56 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methaqualone" 1739 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 4.41 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 4.52 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRG2|GABRA2|GABRB2" "GBRG2_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN" 4.61 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" 4.31 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA A receptor alpha-4/beta-2/delta" "Ion channel" "O14764|P47870|P48169" "GABRD|GABRB2|GABRA4" "GBRD_HUMAN|GBRB2_HUMAN|GBRA4_HUMAN" 4.17 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRG2|GABRA5|GABRB2" "GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN" 4.56 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA A receptor alpha-4/beta-3/delta" "Ion channel" "P48169|P28472|O14764" "GABRA4|GABRB3|GABRD" "GBRA4_HUMAN|GBRB3_HUMAN|GBRD_HUMAN" 3.91 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA-A receptor alpha-6/beta-2" "Ion channel" "Q16445|P47870" "GABRA6|GABRB2" "GBRA6_HUMAN|GBRB2_HUMAN" 4.13 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA-A receptor alpha-6/beta-2/delta" "Ion channel" "P47870|Q16445|O14764" "GABRB2|GABRA6|GABRD" "GBRB2_HUMAN|GBRA6_HUMAN|GBRD_HUMAN" 4.44 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methaqualone" 1739 "GABA-A receptor alpha-6/beta-3/delta" "Ion channel" "O14764|P28472|Q16445" "GABRD|GABRB3|GABRA6" "GBRD_HUMAN|GBRB3_HUMAN|GBRA6_HUMAN" 4.5 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26056160" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "metharbital" 1740 "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/CHEMBL450" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.05 "Ki" "Inhibitory activity against human carbonic anhydrase II" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.85 "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/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.62 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.57 "Ki" "Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.47 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.19 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.21 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.68 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19" "INHIBITOR" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.77 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "methazolamide" 1741 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 8.96 "Ki" "Inhibition of human carbonic anhydrase 3" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 8 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.37 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.72 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "Mus musculus" "methazolamide" 1741 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.44 "Ki" "Compound was evaluated for inhibition against bovine carbonic anhydrase IV" "CHEMBL" "=" "Bos taurus" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.85 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.49 "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)" "methazolamide" 1741 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.72 "Ki" "Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.19 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.92 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.85 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "methazolamide" 1741 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.25 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.93 "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)" "methazolamide" 1741 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.67 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.88 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "methazolamide" 1741 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 7.2 "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" "methazolamide" 1741 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.49 "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" "methazolamide" 1741 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.11 "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)" "methazolamide" 1741 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.77 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "methazolamide" 1741 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.18 "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)" "methazolamide" 1741 "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" 7.7 "IC50" "Evaluated for its activity against carbonic anhydrase (CA) in anesthetized rabbits" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 8.6 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methazolamide" 1741 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.74 "Ki" "CHEMBL" "=" "Anopheles gambiae" "methazolamide" 1741 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 7.58 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "methazolamide" 1741 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.09 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "methdilazine" 1742 "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/CHEMBL1200959" "ANTAGONIST" "Tclin" "Homo sapiens" "meticillin" 1744 "Beta-lactam-inducible penicillin-binding protein" "Enzyme" "P07944" "pbp" "PBP_STAAU" "WOMBAT-PK" "Staphylococcus aureus" "meticillin" 1744 "NH(3)-dependent NAD(+) synthetase" "Enzyme" "P18843" "nadE" "NADE_ECOLI" 5.5 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "meticillin" 1744 "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/CHEMBL575" "INHIBITOR" "Staphylococcus aureus" "thiamazole" 1745 "Thyroid peroxidase" "Enzyme" "P07202" "TPO" "PERT_HUMAN" 5.57 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1515" "INHIBITOR" "Tclin" "Homo sapiens" "thiamazole" 1745 "Lactoperoxidase" "Enzyme" "P80025" "LPO" "PERL_BOVIN" 5.08 "IC50" "Inhibition of Bos taurus (bovine) milk lactoperoxidase-catalyzed iodination of L-tyrosine substrate by reverse phase HPLC analysis" "CHEMBL" "=" "Bos taurus" "thiamazole" 1745 "Lactoperoxidase" "Enzyme" "P22079" "LPO" "PERL_HUMAN" 4.93 "IC50" "Inhibition of lactoperoxidase-catalyzed iodination of L-tyrosine assessed as 3,5-diiodo-L-tyrosine formation by HPLC" "CHEMBL" "=" "Tbio" "Homo sapiens" "thiamazole" 1745 "Dopamine beta-hydroxylase" "Enzyme" "P15101" "DBH" "DOPO_BOVIN" 4.35 "Ki" "Compound was evaluated for the inhibition of Dopamine beta hydroxylase at pH 4.5" "CHEMBL" "=" "Bos taurus" "methocarbamol" 1747 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201117" "INHIBITOR" "Tclin" "Homo sapiens" "methohexital" 1748 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "methohexital" 1748 "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/CHEMBL30219" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methohexital" 1748 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNB2|CHRNA2" "ACHB2_HUMAN|ACHA2_HUMAN" "WOMBAT-PK" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "methotrexate" 1751 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "methotrexate" 1751 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "methotrexate" 1751 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "methotrexate" 1751 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "methotrexate" 1751 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 6.22 "Ki" "Inhibition of human TS by spectrophotometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "methotrexate" 1751 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "methotrexate" 1751 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" 5.49 "IC50" "Compound was evaluated for the inhibitory activity against Folyl-polyglutamate synthase from CCRF-CEM human leukemia cells." "CHEMBL" "=" "Tchem" "Homo sapiens" "methotrexate" 1751 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "methotrexate" 1751 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 8.85 "IC50" "Inhibitory activity against Dihydrofolate reductase from Toxoplasma gondii was evaluated using 90 uM dihydrofolic acid as substrate" "CHEMBL" "=" "Toxoplasma gondii" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 9 "IC50" "Inhibition against Dihydrofolate reductase in Pneumocystis carinii" "CHEMBL" "=" "Pneumocystis carinii" "methotrexate" 1751 "Folate receptor beta" "Membrane receptor" "P14207" "FOLR2" "FOLR2_HUMAN" 6.97 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "methotrexate" 1751 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P13922" "DRTS_PLAFK" 7.08 "IC50" "Inhibition of Plasmodium falciparum DHFR" "CHEMBL" "=" "Plasmodium falciparum" "methotrexate" 1751 "Proton-coupled folate transporter" "Transporter" "Q96NT5" "SLC46A1" "PCFT_HUMAN" 6.92 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 5.41 "Ki" "Binding affinity towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand" "CHEMBL" "=" "Mus musculus" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 10.14 "Ki" "Inhibition of rat liver DHFR by enzyme kinetics assay in presence of variable DHFA level" "CHEMBL" "=" "Rattus norvegicus" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 8.89 "IC50" "Compound was tested for the inhibition of dihydrofolate reductase in Bovine liver" "CHEMBL" "=" "Lactobacillus casei" "methotrexate" 1751 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 4.35 "Ki" "Inhibitory activity against thymidylate synthase in murine tumor cells" "CHEMBL" "=" "Mus musculus" "methotrexate" 1751 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P07382" "DRTS_LEIMA" 9.89 "Ki" "Inhibition of dihydrofolate reductase (DHFR) from Leishmania major" "CHEMBL" "=" "Leishmania major" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00378" "DHFR" "DYR_CHICK" 7.72 "IC50" "Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver" "CHEMBL" "=" "Gallus gallus" "methotrexate" 1751 "Thymidylate synthase" "Enzyme" "P00469" "thyA" "TYSY_LACCA" 4.4 "IC50" "Ability to inhibit Lactobacillus casei thymidylate synthase in vitro was determined" "CHEMBL" "=" "Lactobacillus casei" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 10.68 "Ki" "Binding affinity against Dihydrofolate reductase of Escherichia coli" "CHEMBL" "=" "Escherichia coli" "methotrexate" 1751 "Thymidylate synthase" "Enzyme" "C3SWJ7" "thyA" "C3SWJ7_ECOLX" 5.74 "IC50" "Inhibitory activity against Escherichia coli thymidylate synthase" "CHEMBL" "=" "Escherichia coli" "methotrexate" 1751 "Pteridine reductase 1" "Enzyme" "Q01782" "PTR1" "PTR1_LEIMA" 7.41 "Ki" "Inhibition of Leishmania major recombinant PTR1" "CHEMBL" "=" "Leishmania major" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P0A017" "folA" "DYR_STAAU" 9 "Ki" "Inhibition of Staphylococcus aureus DHFR" "CHEMBL" "=" "Staphylococcus aureus" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P9WNX1" "folA" "DYR_MYCTU" 8.08 "IC50" "Inhibition of recombinant Mycobacterium tuberculosis DHFR using 45 uM DHF as substrate by spectrophotometry" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "Q81R22" "dfrA" "Q81R22_BACAN" 7.91 "IC50" "Inhibition of Bacillus anthracis DHFR" "CHEMBL" "=" "Bacillus anthracis" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00376" "DHFR" "DYR_BOVIN" 8.77 "IC50" "In vitro inhibitory concentration against beef liver dihydrofolate reductase" "CHEMBL" "=" "Bos taurus" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00380" "folA" "DYR_ENTFC" 8.85 "IC50" "Inhibition of Streptococcus faecium dihydrofolate reductase using dihydrofolate as substrate" "CHEMBL" "=" "Enterococcus faecium" "methotrexate" 1751 "Folate transporter 1" "Transporter" "P41440" "SLC19A1" "S19A1_HUMAN" 5.46 "Ki" "Affinity towards RFC measured by the inhibition of [3H]MTX uptake" "CHEMBL" "=" "Tchem" "Homo sapiens" "methotrexate" 1751 "Folate receptor alpha" "Membrane receptor" "P15328" "FOLR1" "FOLR1_HUMAN" 6.94 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "methotrexate" 1751 "High mobility group protein B1" "Nuclear other" "P09429" "HMGB1" "HMGB1_HUMAN" 7.62 "Kd" "Binding affinity to N-terminal 6His-tagged HMGB1 Bj region (88 to 181 residues) (unknown origin) expressed in Escherichia coli JM109 by SPR assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "methotrexate" 1751 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8.92 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/205776s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "levomepromazine" 1752 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.237 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "levomepromazine" 1752 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.02 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "methoxamine" 1753 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.1 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524" "AGONIST" "Tclin" "Homo sapiens" "methoxamine" 1753 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 4.9 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524" "AGONIST" "Tclin" "Homo sapiens" "methoxamine" 1753 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL524" "AGONIST" "Tclin" "Homo sapiens" "methoxamine" 1753 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 4.5 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "methoxamine" 1753 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.44 "IC50" "50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "Rattus norvegicus" "methoxyflurane" 1754 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1341" "AGONIST" "Tclin" "Homo sapiens" "methoxyflurane" 1754 "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/CHEMBL1341" "POSITIVE MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "methscopolamine" 1757 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201268" "ANTAGONIST" "Tclin" "Homo sapiens" "methscopolamine" 1757 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.82 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "methscopolamine" 1757 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10.4 "Ki" "IUPHAR" "=" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201268" "ANTAGONIST" "Tclin" "Homo sapiens" "methscopolamine" 1757 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 10.01 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "methscopolamine" 1757 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.68 "Ki" "Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "methscopolamine" 1757 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 10.3 "EC50" "Stimulation of disulfide bond cross-linking formation in rat M3'(3C)-Xa receptor A91C/T549C mutant expressed in african green monkey COS7 cells by scanning densitometry" "CHEMBL" "=" "Rattus norvegicus" "methsuximide" 1758 "Voltage-gated T-type calcium channel" "Ion channel" "O43497|O95180|Q9P0X4" "CACNA1G|CACNA1H|CACNA1I" "CAC1G_HUMAN|CAC1H_HUMAN|CAC1I_HUMAN" "Mechanism of Action; CHEMBL2362995; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL697" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methylclothiazide" 1759 "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/CHEMBL1577" "INHIBITOR" "Tclin" "Homo sapiens" "metildigoxin" 1761 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "methyldopa" 1762 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL459" "AGONIST" "Tclin" "Homo sapiens" "methyldopa" 1762 "Aromatic-L-amino-acid decarboxylase" "Enzyme" "P20711" "DDC" "DDC_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "methyldopa" 1762 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.282 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methyldopa" 1762 "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" "methyldopa" 1762 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.672 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "methyldopa" 1762 "Lysine-specific demethylase 4E" "Enzyme" "B2RXH2" "KDM4E" "KDM4E_HUMAN" 5.52 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "methylthioninium chloride" 1763 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.8 "IC50" "Inhibitory concentration against human glutathione reductase" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylthioninium chloride" 1763 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.36 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylthioninium chloride" 1763 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 7.15 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylthioninium chloride" 1763 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" 4.52 "IC50" "Inhibition of human recombinant TrxR1 at pH 7.4" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylthioninium chloride" 1763 "Glutathione reductase" "Enzyme" "O15770" "GR3" "GSHR_PLAF7" 5.19 "IC50" "Inhibitory concentration against Plasmodium falciparum glutathione reductase" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "methylthioninium chloride" 1763 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.26 "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" "methylthioninium chloride" 1763 "Microtubule-associated protein tau" "Structural" "P10636" "MAPT" "TAU_HUMAN" 5.72 "IC50" "Inhibition of human recombinant brain tau protein (412 amino acid residues) filament assembly expressed in Escherichia coli BL21(DE3) by electron microscopic analysis in presence of heparin" "CHEMBL" "=" "Tchem" "Homo sapiens" "methylthioninium chloride" 1763 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 6.26 "IC50" "CHEMBL" "=" "Homo sapiens" "methylergometrine" 1764 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.268 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200843" "ANTAGONIST" "Tclin" "Homo sapiens" "methylergometrine" 1764 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.559 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methylergometrine" 1764 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.225 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.633 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.1 "Ki" "Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.3 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.928 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "methylergometrine" 1764 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.678 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methylergometrine" 1764 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.244 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methylergometrine" 1764 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.699 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "methylergometrine" 1764 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 8.033 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "methylergometrine" 1764 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.39 "IC50" "CHEMBL" "=" "Rattus norvegicus" "methylergometrine" 1764 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "methylergometrine" 1764 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.38 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "ANTAGONIST" "Tclin" "Homo sapiens" "naltrexone" 1765 "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" "naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.93 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "ANTAGONIST" "Tclin" "Homo sapiens" "naltrexone" 1765 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.99 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL19019" "ANTAGONIST" "Tclin" "Homo sapiens" "naltrexone" 1765 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 4.6 "IC50" "Blockage of Nicotinic acetylcholine receptor alpha-7 noncompetitively in hippocampal primary cultures" "CHEMBL" "=" "Tchem" "Homo sapiens" "naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.34 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9.58 "Ki" "Displacement of [3H]DAMGO from mouse mu opioid receptor in whole brain without cerebellum" "CHEMBL" "=" "Mus musculus" "naltrexone" 1765 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.77 "Ki" "Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO" "CHEMBL" "=" "Cavia porcellus" "naltrexone" 1765 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7.91 "Ki" "Displacement of [3H]DPDPE from mouse delta opioid receptor in whole brain without cerebellum" "CHEMBL" "=" "Mus musculus" "naltrexone" 1765 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.32 "Ki" "In vito concentration required to displace [3H]DADLE (Kd = 12.2 nM and concentration is 2.1 nM) from low affinity delta-site in rat brain membranes." "CHEMBL" "=" "Rattus norvegicus" "naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 9.51 "Ki" "Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593" "CHEMBL" "=" "Cavia porcellus" "naltrexone" 1765 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09483" "Chrna4" "ACHA4_RAT" 4.51 "IC50" "Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in acute hippocampal slices" "CHEMBL" "=" "Rattus norvegicus" "naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 8.97 "Ki" "Displacement of [3H]U69593 from kappa opioid receptor in rat brain homogenate after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "naltrexone" 1765 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 8.84 "Ki" "Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cells after 1.5 hrs" "CHEMBL" "=" "Mus musculus" "naltrexone" 1765 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 9.26 "Ki" "Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(T= total opioid receptor family)" "CHEMBL" "=" "Rattus norvegicus" "naltrexone" 1765 "Opioid receptors; mu and delta" "GPCR" "P32300|P42866" "Oprd1|Oprm1" "OPRD_MOUSE|OPRM_MOUSE" 9.06 "Ki" "Displacement of [3H]-DAMGO from mouse MOR/DOR expressed in HEK293 cells" "CHEMBL" "=" "Mus musculus" "methylparaben" 1766 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.47 "Ki" "Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylparaben" 1766 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.59 "Ki" "Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylparaben" 1766 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.26 "Ki" "Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylparaben" 1766 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.09 "Ki" "Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylparaben" 1766 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.11 "Ki" "Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylparaben" 1766 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylphenidate" 1767 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.252 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methylphenidate" 1767 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.19 "Ki" "Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylphenidate" 1767 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.18 "Ki" "Displacement of [125I]RTI-55 from human NET expressing HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "INHIBITOR" "Tclin" "Homo sapiens" "methylphenidate" 1767 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.615 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methylphenidate" 1767 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.068 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "methylphenidate" 1767 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.96 "Ki" "Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL796" "INHIBITOR" "Tclin" "Homo sapiens" "methylphenidate" 1767 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.08 "IC50" "Tested for the ability to bind stereoselectively and enantioselectively to the dopamine transporter (DAT); Value ranges from 34 - 83 nM" "CHEMBL" "=" "Rattus norvegicus" "methylprednisolone" 1768 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL650" "AGONIST" "Tclin" "Homo sapiens" "methylprednisolone" 1768 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "methylprednisolone" 1768 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.75 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "methylprednisolone" 1768 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 4.92 "EC50" "Measuring intracellular calcium elevation in HEK293 cells expressing hTRPC5." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "methylprednisolone acetate" 1770 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/011757s103lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "methylprednisolone succinate" 1771 "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/CHEMBL1201265" "AGONIST" "Tclin" "Homo sapiens" "methyprylon" 1774 "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/CHEMBL1200790" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methysergide" 1775 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.326 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methysergide" 1775 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.57 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methysergide" 1775 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.214 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methysergide" 1775 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.04 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.509 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "methysergide" 1775 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.663 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methysergide" 1775 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.229 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methysergide" 1775 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.523 "Ki" "PDSP" "Tclin" "Homo sapiens" "methysergide" 1775 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.263 "Ki" "PDSP" "Tclin" "Homo sapiens" "methysergide" 1775 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.213 "Ki" "PDSP" "Tclin" "Homo sapiens" "methysergide" 1775 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.334 "Ki" "PDSP" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "methysergide" 1775 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.054 "Ki" "PDSP" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "methysergide" 1775 "Induced myeloid leukemia cell differentiation protein Mcl-1" "Cytosolic other" "Q07820" "MCL1" "MCL1_HUMAN" 4.69 "IC50" "PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of myeloid cell leukemia sequence 1 (MCL1) interactions with BIM-BH3 peptide. (Class of assay: confirmatory) [Related pubchem assays: 2090 (Summary AID.), 2057 (Screening assay (MCL1 inhibitors).), 2168 (Screening assay (MCL1 inhibitors).)]" "CHEMBL" "=" "Tchem" "Homo sapiens" "methysergide" 1775 "Bcl-2-like protein 1" "Cytosolic other" "Q07817" "BCL2L1" "B2CL1_HUMAN" 4.65 "IC50" "PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarization-based biochemical high throughput dose response assay for inhibitors of BCL2-related protein, long isoform (BCLXL). (Class of assay: confirmatory) [Related pubchem assays: 2129 (Screening assay (BCLXL inhibitors).), 2057 (Screening assay (MCL-1 inhibitors).), 2144 (Summary AID.), 2166 (Screening assay (BCLXL inhibitors).)]" "CHEMBL" "=" "Tchem" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.967 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "methysergide" 1775 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.27 "IC50" "CHEMBL" "=" "Rattus norvegicus" "methysergide" 1775 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.8 "Ki" "Binding affinity to 5-hydroxytryptamine 2A receptor from rat cortex assayed using [3H]ketanserin as radioligand." "CHEMBL" "=" "Rattus norvegicus" "methysergide" 1775 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.9 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "methysergide" 1775 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "methysergide" 1775 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "methysergide" 1775 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.91 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "methysergide" 1775 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.28 "Ki" "Binding affinity which represents concentration giving half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor from rat tissue homogenate" "CHEMBL" "=" "Rattus norvegicus" "methysergide" 1775 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 4.99 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "methysergide" 1775 "5-hydroxytryptamine receptor 5A" "GPCR" "P35364" "Htr5a" "5HT5A_RAT" 6.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "methysergide" 1775 "5-hydroxytryptamine receptor 5A" "GPCR" "P30966" "Htr5a" "5HT5A_MOUSE" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "methysergide" 1775 "5-hydroxytryptamine receptor 1F" "GPCR" "P30940" "Htr1f" "5HT1F_RAT" 7.8 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "methysergide" 1775 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.45 "Ki" "Displacement of [3H]ketanserin from human 5HT2AR expressed in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15322733" "AGONIST" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.34 "Ki" "Displacement of [3H]mesulergine from human HTR2B expressed in CHO-K1 cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "https://pubmed.ncbi.nlm.nih.gov/15322733" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "AGONIST" "Tclin" "Homo sapiens" "methysergide" 1775 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.34 "Ki" "Displacement of [3H]mesulergine from human HTR2B expressed in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "https://pubmed.ncbi.nlm.nih.gov/15322733" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=134" "AGONIST" "Tclin" "Homo sapiens" "metiazinic acid" 1776 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 4.98 "IC50" "Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay" "CHEMBL" "=" "Ovis aries" "metipranolol" 1779 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action; CHEMBL213; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1291" "ANTAGONIST" "Tclin" "Homo sapiens" "metipranolol" 1779 "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/CHEMBL1291" "ANTAGONIST" "Tclin" "Homo sapiens" "metixene" 1780 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" "Mechanism of Action; CHEMBL225; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201342" "ANTAGONIST" "Tclin" "Homo sapiens" "metixene" 1780 "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/CHEMBL1201342" "ANTAGONIST" "Tclin" "Homo sapiens" "metixene" 1780 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.8 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "Equus caballus" "metochalcone" 1781 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.72 "IC50" "Inhibition of human BCRP expressed in MDCK2 cells assessed as Hoechst 33342 accumulation preincubated for 30 mins by fluorimetry" "CHEMBL" "=" "Tchem" "Homo sapiens" "metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.26 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "Cavia porcellus" "metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.194 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200940" "ANTAGONIST" "Tclin" "Homo sapiens" "metoclopramide" 1782 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.991 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metoclopramide" 1782 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.979 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metoclopramide" 1782 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.397 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metoclopramide" 1782 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.904 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metoclopramide" 1782 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.66 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "metoclopramide" 1782 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "metoclopramide" 1782 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4.509 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "metoclopramide" 1782 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metoclopramide" 1782 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200940" "ANTAGONIST" "Tclin" "Homo sapiens" "metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200940" "AGONIST" "Tclin" "Homo sapiens" "metoclopramide" 1782 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 6.46 "IC50" "Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "metoclopramide" 1782 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.02 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.98 "Ki" "Compound was evaluated for binding affinity towards DA D-2 receptor using radioligand [3H]SPI" "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.1 "Ki" "Compound was evaluated for the binding affinity at Dopamine receptor D2" "CHEMBL" "=" "Bos taurus" "metoclopramide" 1782 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 7.54 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 6.05 "Ki" "Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatum by [3H]GR-113808 displacement." "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.21 "IC50" "Concentration of compound required to inhibit the binding of radioligand [3H](R)-7-OH-DPAT to Dopamine receptor D3 in rat striatum" "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 6.68 "Ki" "Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "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" 7.3 "Kd" "Potency at neuronal 5-hydroxytryptamine 3 receptors in the rabbit heart" "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" "metoclopramide" 1782 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.11 "IC50" "Inhibitory activity against 5-hydroxytryptamine 1 receptor by 3H ligand binding experiments." "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.11 "IC50" "Inhibitory activity against alpha-2 adrenergic receptor by 3H ligand binding experiments." "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 4.48 "IC50" "Inhibitory activity against Alpha-1 adrenergic receptor by 3H ligand binding experiments." "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 4.88 "IC50" "Inhibitory activity against 5-hydroxytryptamine 2 receptor by 3H ligand binding experiments." "CHEMBL" "=" "Rattus norvegicus" "metoclopramide" 1782 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 6.7 "Ki" "Compound was evaluated for the binding affinity at 5- HT3 receptor subtype" "CHEMBL" "=" "Mus musculus" "metoclopramide" 1782 "5-hydroxytryptamine receptor 4" "GPCR" "P97288" "Htr4" "5HT4R_MOUSE" 6 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "metolazone" 1783 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 8.45 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "metolazone" 1783 "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/CHEMBL878" "INHIBITOR" "Tclin" "Homo sapiens" "metolazone" 1783 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.68 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "metopimazine" 1784 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 10.15 "Ki" "Radioligand Binding Assay: The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a functional antagonist assay. For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in buffer. The assay was terminated by rapid filtration, and the bound radioactive signal was determined by liquid scintillation counting." "CHEMBL" "=" "Tclin" "Homo sapiens" "metopimazine" 1784 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.21 "Ki" "Radioligand Binding Assay: The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a functional antagonist assay. For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in buffer. The assay was terminated by rapid filtration, and the bound radioactive signal was determined by liquid scintillation counting." "CHEMBL" "=" "Tclin" "Homo sapiens" "metopimazine" 1784 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.08 "Ki" "Radioligand Binding Assay: The pharmacological profile of metopimazine, metopimazine acid (MPZA), domperidone, and metoclopramide were assessed by radioligand binding and by a functional antagonist assay. For the radioligand binding assay, cell membranes of dopamine D2 receptor expressing cells were incubated with [3H]spiperone and competing drugs in buffer. The assay was terminated by rapid filtration, and the bound radioactive signal was determined by liquid scintillation counting." "CHEMBL" "=" "Tclin" "Homo sapiens" "metoprolol" 1786 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL13" "ANTAGONIST" "Tclin" "Homo sapiens" "metoprolol" 1786 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "metoprolol" 1786 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "CHEMBL" "=" "Rattus norvegicus" "metoprolol" 1786 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 6.79 "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" "metoprolol" 1786 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 7.83 "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" "metoprolol" 1786 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb2|Adrb1|Adrb3" "ADRB2_RAT|ADRB1_RAT|ADRB3_RAT" 6.3 "IC50" "The compound was tested for its ability to inhibit (-)-[3H]dihydroalprenolol binding to beta-adrenergic receptor sites in rat cortex" "CHEMBL" "=" "Rattus norvegicus" "metoprolol" 1786 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 7.31 "Ki" "Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes" "CHEMBL" "=" "Mus musculus" "metoprolol" 1786 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 7.31 "Ki" "Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes" "CHEMBL" "=" "Mus musculus" "metronidazole" 1790 "Thioredoxin reductase" "Enzyme" "C4LW95" "" "C4LW95_ENTHI" 5.48 "Ki" "Inhibition of Entamoeba histolytica thioredoxin reductase" "CHEMBL" "=" "Entamoeba histolytica" "metyrapone" 1791 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "metyrapone" 1791 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 7.38 "IC50" "Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "metyrapone" 1791 "Cytochrome P450 11B1" "Enzyme" "P15150" "CYP11B1" "C11B1_BOVIN" 6.24 "Ki" "Inhibition of bovine adrenal gland 11beta-hydroxylase assessed as inhibition of [14C]-deoxycorticosterone hydroxylation" "CHEMBL" "=" "Bos taurus" "metyrapone" 1791 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15393" "Cyp11b1" "C11B1_RAT" 5.34 "IC50" "CHEMBL" "=" "Rattus norvegicus" "metyrapone" 1791 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 7.84 "IC50" "Inhibition of human steroid-11beta-hydroxylase expressed in chinese hamster V79 cells using 11-deoxycorticosterone as substrate" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/012911Orig1s033lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "metirosine" 1792 "Tyrosine 3-monooxygenase" "Enzyme" "P07101" "TH" "TY3H_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200862" "INHIBITOR" "Tclin" "Homo sapiens" "mexiletine" 1794 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.53 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" "mexiletine" 1794 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mexiletine" 1794 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mexiletine" 1794 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mexiletine" 1794 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mexiletine" 1794 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "mexiletine" 1794 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.14 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mexiletine" 1794 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 4.96 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "mexiletine" 1794 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5.54 "IC50" "Inhibition of human recombinant Nav1.2 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" "mexiletine" 1794 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.38 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" "mexiletine" 1794 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.89 "Ki" "Binding affinity to inactivated human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" "mexiletine" 1794 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" 4.25 "IC50" "Inhibition of human recombinant Nav1.8 channel expressed in HEK293 cells by whole cell voltage clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL558" "BLOCKER" "Tclin" "Homo sapiens" "mexiletine" 1794 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 4.01 "IC50" "Inhibition of of TASK1 (unknown origin) expressed in CHO cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "mexiletine" 1794 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 3.51 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mexiletine" 1794 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.26 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mexiletine" 1794 "Sodium channel protein type X alpha subunit" "Ion channel" "Q62968" "Scn10a" "SCNAA_RAT" 4.51 "IC50" "Blockade of Nav1.8 channel in rat dorsal root ganglion neurons assessed as inhibition of TTX-R current by whole cell patch clamp technique" "CHEMBL" "=" "Rattus norvegicus" "mexiletine" 1794 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q62205" "Scn9a" "SCN9A_MOUSE" 4.96 "IC50" "CHEMBL" "=" "Mus musculus" "mexiletine" 1794 "Sodium channel protein type 1 subunit alpha" "Ion channel" "A2APX8" "Scn1a" "SCN1A_MOUSE" 4.68 "IC50" "Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay" "CHEMBL" "=" "Mus musculus" "mezlocillin" 1795 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.22 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.41 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.17 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "mezlocillin" 1795 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.89 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 4.92 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 6.74 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "mezlocillin" 1795 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.26 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.72 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.12 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.01 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 5.13 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 6.68 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 4.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 4.92 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 4.2 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.25 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Serum albumin" "Secreted" "P02768" "ALB" "ALBU_HUMAN" 4.18 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mezlocillin" 1795 "Interleukin-1 receptor type 1" "Membrane receptor" "P14778" "IL1R1" "IL1R1_HUMAN" 6.52 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mezlocillin" 1795 "Prostaglandin-H2 D-isomerase" "Enzyme" "P41222" "PTGDS" "PTGDS_HUMAN" 6.3 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "mezlocillin" 1795 "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/CHEMBL1731" "INHIBITOR" "Escherichia coli (strain K12)" "mianserin" 1796 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.66 "Ki" "Inhibition of [3H]-spiperone binding to human Dopamine receptor D2" "CHEMBL" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.319 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.398 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.149 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.13 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.17 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.12 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.52 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=135" "ANTAGONIST" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.175 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.06 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.39 "IC50" "Binding affinity for human cloned Alpha-1A adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.569 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.55 "Ki" "Inhibition of [125I]iodosulpiride binding to human Dopamine receptor D3" "CHEMBL" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.245 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.003 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.125 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mianserin" 1796 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.465 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.417 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.526 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.541 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.638 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.53 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.99 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.027 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.48 "IC50" "Binding affinity for human cloned Dopamine receptor D4" "CHEMBL" "=" "Tchem" "Homo sapiens" "mianserin" 1796 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.21 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT3 radioligand binding (ligand: [3H] GR-65630)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "mianserin" 1796 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.06 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mianserin" 1796 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.18 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "mianserin" 1796 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.33 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.15 "IC50" "Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9.07 "Ki" "CHEMBL" "=" "Cavia porcellus" "mianserin" 1796 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.08 "Ki" "Binding affinity towards Dopamine receptor D2 at 1.0 uM concentration" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 5.54 "IC50" "The binding affinity at the 5-HT reuptake sites determined using competition binding assay" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.82 "Ki" "The binding affinity at 5-hydroxytryptamine 2A receptor was determined using [3H]ketanserin" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 7.59 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.2 "Ki" "Binding affinity towards 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "mianserin" 1796 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.85 "Ki" "Inhibition of [3H]SCH-23390 binding to rat Dopamine receptor D1" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.85 "Ki" "The binding affinity at 5-hydroxytryptamine 2C receptor was determined using [3H]mesulergine" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.37 "Ki" "Displacement of [3H]prazosin from calf cerebral cortex alpha-1 adrenergic receptor" "CHEMBL" "=" "Bos taurus" "mianserin" 1796 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 5.82 "Ki" "Tested for binding affinity against dopamine receptor D3 expressed in Sf9 cells." "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 7.77 "Ki" "Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand" "CHEMBL" "=" "Bos taurus" "mianserin" 1796 "Muscarinic acetylcholine receptor M5" "GPCR" "P08911" "Chrm5" "ACM5_RAT" 5.72 "IC50" "Binding affinity towards muscarinic acetylcholine receptor by inhibiting specific binding of [3H]quinuclidinyl benzilate (0.8 nM) in vitro to membranes of rat brain without cerebellum" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "mianserin" 1796 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 7.15 "Ki" "The binding affinity at 5-hydroxytryptamine 3 receptor was determined using [3H]LY-278584" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.24 "Ki" "Binding affinity towards serotonin S1 receptor at 1.0 uM concentration" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.21 "Ki" "Binding affinity towards alpha-2 adrenergic receptor at 1.0 uM concentration" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.26 "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" "mianserin" 1796 "Cerebral cortex alpha adrenergic receptor" "GPCR" "P18130|Q28838" "ADRA1A|ADRA2A" "ADA1A_BOVIN|ADA2A_BOVIN" 8.22 "IC50" "In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Site B using [3H]-clonidine" "CHEMBL" "=" "Bos taurus" "mianserin" 1796 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.96 "Ki" "Binding affinity towards 5-hydroxytryptamine 2 receptor at 1.0 uM concentration" "CHEMBL" "=" "Rattus norvegicus" "mianserin" 1796 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 6.6 "Ki" "The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 radioligand (in vitro)" "CHEMBL" "=" "Mus musculus" "mianserin" 1796 "G-protein coupled receptor" "GPCR" "Q9NG02" "tyr1" "Q9NG02_APIME" 4.14 "IC50" "Antagonist activity at Apis mellifera tyramine receptor TyR1" "CHEMBL" "=" "Apis mellifera" "mianserin" 1796 "5-hydroxytryptamine receptor 1B" "GPCR" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "mibefradil" 1797 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 6.3 "IC50" "Inhibition of human heart Nav1.5 expressed in HEK293 cells by whole cell voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.72 "Ki" "Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.8 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mibefradil" 1797 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 6.3 "IC50" "Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 4.9 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "mibefradil" 1797 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" 6.7 "IC50" "Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" 6.9 "IC50" "Inhibition of T-type calcium channel alpha1I by FLIPR" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" 4.61 "IC50" "Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" 5.87 "IC50" "Inhibition of N-type calcium channel Alpha-1B" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6.3 "IC50" "Inhibition of rat brain Nav1.2 expressed in HEK293 cells by whole cell voltage clamp method" "CHEMBL" "=" "Rattus norvegicus" "mibefradil" 1797 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology, kinetic rapid mixing fluometry" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "mibefradil" 1797 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology and kinetic rapid mixing fluometry." "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "mibefradil" 1797 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology, kinetic rapid mixing fluometry." "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "mibefradil" 1797 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 4.5 "IC50" "Patch clamp electrophysiology, kinetic rapid mixing fluometry." "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "mibefradil" 1797 "Voltage-dependent R-type calcium channel subunit alpha-1E" "Ion channel" "Q07652" "Cacna1e" "CAC1E_RAT" 6.4 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "mibefradil" 1797 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "P54282" "Cacna1a" "CAC1A_RAT" 6.5 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "mibefradil" 1797 "Calcium release-activated calcium channel protein 1" "Ion channel" "Q96D31" "ORAI1" "CRCM1_HUMAN" 4.28 "IC50" "Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincubated for 15 mins followed by CPA addition by PBX-based FLIPR assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "mibefradil" 1797 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P15390" "Scn4a" "SCN4A_RAT" 6.3 "IC50" "Inhibition of rat skeletal muscle Nav1.4 expressed in HEK293 cells by whole cell voltage clamp method" "CHEMBL" "=" "Rattus norvegicus" "mibefradil" 1797 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" 4.61 "IC50" "Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mibefradil" 1797 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 6.602 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18974361" "BLOCKER" "Tclin" "Homo sapiens" "micafungin" 1798 "Beta-1,3-glucan synthase" "Unclassified" "Q5AIC4" "GSC1" "Q5AIC4_CANAL" "WOMBAT-PK" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "micafungin" 1798 "Beta-1,3-glucan synthase catalytic subunit 1" "Enzyme" "O13428" "GSC1" "O13428_CANAX" "Mechanism of Action; CHEMBL2364673; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237070" "INHIBITOR" "Candida albicans" "miconazole" 1800 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 4.715 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "miconazole" 1800 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.137 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.588 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 4.78 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.609 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.505 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.38 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.097 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.828 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "miconazole" 1800 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.383 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.535 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.183 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.952 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.452 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.555 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "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" "miconazole" 1800 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.785 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.964 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.178 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.02 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.812 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.175 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.351 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.386 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.869 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "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" "miconazole" 1800 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.136 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.799 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.271 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.825 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.579 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "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/CHEMBL91" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "miconazole" 1800 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.923 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.4 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "miconazole" 1800 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.729 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "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" "miconazole" 1800 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.22 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.534 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.43 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.61 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "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" "miconazole" 1800 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.15 "EC50" "PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absence of phosphate acceptor performed in luminescent assay. (Class of assay: confirmatory) [Related pubchem assays: 813, 518, 1548, 1450 ]" "CHEMBL" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.381 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.562 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.58 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 6.7 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.42 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 5.109 "Ki" "DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.792 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.326 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "miconazole" 1800 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.029 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "miconazole" 1800 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.922 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "miconazole" 1800 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.674 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.792 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "miconazole" 1800 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.692 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "miconazole" 1800 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.711 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "miconazole" 1800 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.94 "IC50" "CHEMBL" "=" "Rattus norvegicus" "miconazole" 1800 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.67 "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" "miconazole" 1800 "Aromatase" "Enzyme" "P22443" "Cyp19a1" "CP19A_RAT" 6.4 "EC50" "In vitro inhibition of cytochrome P450 19A1 by rat ovarian microsomes incubated with [3H]androstenedione and NADPH-generating system." "CHEMBL" "=" "Rattus norvegicus" "miconazole" 1800 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.17 "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" "miconazole" 1800 "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)" "miconazole" 1800 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.17 "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" "miconazole" 1800 "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)" "miconazole" 1800 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.6 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "Tbio" "Homo sapiens" "miconazole" 1800 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.75 "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" "miconazole" 1800 "Calcium release-activated calcium channel protein 1" "Ion channel" "Q96D31" "ORAI1" "CRCM1_HUMAN" 4.57 "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" "miconazole" 1800 "Fatty acid hydroperoxide lyase, chloroplastic" "Enzyme" "K4CF70" "HPL" "HPL_SOLLC" 4.19 "IC50" "Inhibition of recombinant Solanum lycopersicum (tomato) fatty acid 13-hydroperoxide lyase using (13S)-HPOT substrate by spectrophotometry" "CHEMBL" "=" "Solanum lycopersicum" "miconazole" 1800 "7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase" "Enzyme" "Q9UNU6" "CYP8B1" "CP8B1_HUMAN" 5.82 "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" "midazolam" 1802 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "midazolam" 1802 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.353 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "midazolam" 1802 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 8.7 "Ki" "Binding affinity against rat benzodiazepine (BZD) receptor" "CHEMBL" "=" "Rattus norvegicus" "midazolam" 1802 "Thyrotropin-releasing hormone receptor" "GPCR" "Q01717" "Trhr" "TRFR_RAT" 5.49 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "midazolam" 1802 "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 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midazolam" 1802 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 9.125 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midazolam" 1802 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.75 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midazolam" 1802 "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" 8.7 "Ki" "Binding affinity to rat benzodiazepine receptor" "CHEMBL" "=" "Rattus norvegicus" "midazolam" 1802 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" 8.444 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midazolam" 1802 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.613 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midazolam" 1802 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRB3|GABRA5|GABRG3" "GBRB3_HUMAN|GBRA5_HUMAN|GBRG3_HUMAN" 8.26 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midazolam" 1802 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRG2|GABRA5|GABRB2" "GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN" 9.125 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midazolam" 1802 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.26 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200420" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "midodrine" 1803 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255026" "AGONIST" "Tclin" "Homo sapiens" "midodrine" 1803 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 7.699 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mifepristone" 1805 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.001 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 4.957 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.64 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 4.918 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "ANTAGONIST" "Tclin" "Homo sapiens" "mifepristone" 1805 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5 "EC50" "IUPHAR" "~" "AGONIST" "Tchem" "Homo sapiens" "mifepristone" 1805 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.095 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 5.68 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.3 "IC50" "Antagonist activity at estrogen receptor by Gal4-DNA binding domain-hormone receptor LBD one-hybrid assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 8.74 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1276308" "ANTAGONIST" "Tclin" "Homo sapiens" "mifepristone" 1805 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.54 "Ki" "Displacement of [3H]E2 from human ERbeta after 16 hrs by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.67 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mifepristone" 1805 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.081 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "mifepristone" 1805 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.255 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "mifepristone" 1805 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.256 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "mifepristone" 1805 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.374 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "mifepristone" 1805 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.85 "IC50" "Inhibition of [3H]dexamethasone binding to rat glucocorticoid receptor" "CHEMBL" "=" "Rattus norvegicus" "mifepristone" 1805 "Progesterone receptor" "Transcription factor" "Q63449" "Pgr" "PRGR_RAT" 8.46 "IC50" "Inhibition of [3H]R5020 binding to cytosolic progesterone receptor (PRc) of rat uterus" "CHEMBL" "=" "Rattus norvegicus" "mifepristone" 1805 "P-glycoprotein 3" "Transporter" "P21447" "Abcb1a" "MDR1A_MOUSE" 4.7 "Kd" "Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein" "CHEMBL" "=" "Mus musculus" "mifepristone" 1805 "Glucocorticoid receptor" "Nuclear hormone receptor" "F1Q298" "NR3C1" "F1Q298_CANLF" 7.7 "IC50" "Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method" "CHEMBL" "=" "Canis lupus familiaris" "mifepristone" 1805 "Glucocorticoid receptor" "Nuclear hormone receptor" "Q9N1U3" "NR3C1" "GCR_PIG" 7.96 "IC50" "Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method" "CHEMBL" "=" "Sus scrofa" "miglitol" 1806 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 6 "Ki" "Inhibition of human recombinant N-terminal subunit of maltase-glucoamylase after 60 mins by glucose oxidase assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "INHIBITOR" "Tclin" "Homo sapiens" "miglitol" 1806 "Pancreatic alpha-amylase" "Enzyme" "P04746" "AMY2A" "AMYP_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "miglitol" 1806 "Glucosylceramidase" "Enzyme" "P04062" "GBA" "GLCM_HUMAN" 4.08 "IC50" "Inhibition of human lysosomal beta-glucosidase" "CHEMBL" "=" "Tclin" "Homo sapiens" "miglitol" 1806 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 6.46 "IC50" "Inhibition of human lysosomal alpha-glucosidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1561" "INHIBITOR" "Tclin" "Homo sapiens" "miglitol" 1806 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 6.96 "IC50" "Inhibition of rat intestinal brush border membrane sucrase" "CHEMBL" "=" "Rattus norvegicus" "miglitol" 1806 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 6.34 "Ki" "Competitive inhibition of rat intestinal maltase by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Rattus norvegicus" "miglitol" 1806 "Glycogen debranching enzyme" "Enzyme" "P35574" "AGL" "GDE_RABIT" 6.41 "IC50" "Inhibition of rabbit muscle amylo-1,6-glucosidase" "CHEMBL" "=" "Oryctolagus cuniculus" "miglitol" 1806 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.3 "IC50" "Inhibition of sucrase by HPLC" "CHEMBL" "=" "Tchem" "Homo sapiens" "miglitol" 1806 "Lactase-phlorizin hydrolase" "Enzyme" "P09848" "LCT" "LPH_HUMAN" 4.3 "IC50" "Inhibition of lactase by HPLC" "CHEMBL" "=" "Tbio" "Homo sapiens" "miglitol" 1806 "Beta-galactosidase" "Enzyme" "Q58D55" "GLB1" "BGAL_BOVIN" 4 "Ki" "CHEMBL" "=" "Bos taurus" "miglitol" 1806 "Alpha-mannosidase" "Enzyme" "C0HJB3" "" "MANULL_CANEN" 4.12 "IC50" "Inhibition of Canavalia ensiformis alpha-mannosidase using p-nitrophenyl-alpha-D-mannopyranoside as substrate preincubated for 1 hr followed by substrate addition measured after 10 mins by spectrophotometric method" "CHEMBL" "=" "Canavalia ensiformis" "miglitol" 1806 "Alpha-glucosidase" "Enzyme" "P56526" "aglA" "AGLU_ASPNG" 4.24 "IC50" "Inhibition of Aspergillus niger alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate preincubated for 1 hr followed by substrate addition measured after 10 mins by spectrophotometric method" "CHEMBL" "=" "Aspergillus niger" "miglustat" 1807 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 5.68 "IC50" "Inhibition of Glycosidases (maltase) in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method maltase" "CHEMBL" "=" "Tclin" "Homo sapiens" "miglustat" 1807 "Ceramide glucosyltransferase" "Enzyme" "Q16739" "UGCG" "CEGT_HUMAN" 5.13 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1029" "INHIBITOR" "Tclin" "Homo sapiens" "miglustat" 1807 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 7 "IC50" "Inhibition of human lysosomal alpha glucosidase" "CHEMBL" "=" "Tclin" "Homo sapiens" "miglustat" 1807 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 6.24 "IC50" "Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method" "CHEMBL" "=" "Rattus norvegicus" "miglustat" 1807 "Non-lysosomal glucosylceramidase" "Enzyme" "Q69ZF3" "Gba2" "GBA2_MOUSE" 6.85 "IC50" "Inhibition of conduritol beta-epoxide-sensitive mouse glucosylceramidase" "CHEMBL" "=" "Mus musculus" "miglustat" 1807 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 5.68 "IC50" "Inhibition of rat intestinal maltase using moltose as substrate" "CHEMBL" "=" "Rattus norvegicus" "miglustat" 1807 "Non-lysosomal glucosylceramidase" "Enzyme" "Q9HCG7" "GBA2" "GBA2_HUMAN" 6.64 "IC50" "Inhibition of human GBA2" "CHEMBL" "=" "Tchem" "Homo sapiens" "miglustat" 1807 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.3 "IC50" "Inhibition of sucrase by HPLC" "CHEMBL" "=" "Tchem" "Homo sapiens" "miglustat" 1807 "Glycogen debranching enzyme" "Enzyme" "P35573" "AGL" "GDE_HUMAN" 5 "IC50" "Inhibition of glycogen glycogen de-branching enzyme by HPLC" "CHEMBL" "=" "Tbio" "Homo sapiens" "miglustat" 1807 "Lysosomal alpha-glucosidase" "Enzyme" "P70699" "Gaa" "LYAG_MOUSE" 5.05 "IC50" "Inhibition of maltase in mouse intestinal input by glucose release assay" "CHEMBL" "=" "Mus musculus" "miglustat" 1807 "Sucrase-isomaltase" "Enzyme" "B5THE3" "Sis" "B5THE3_MOUSE" 6.22 "IC50" "Inhibition of sucrase in mouse intestinal input by glucose release assay" "CHEMBL" "=" "Mus musculus" "miglustat" 1807 "Putative alpha-glucosidase" "Enzyme" "Q9LGC6" "P0504H10.9" "Q9LGC6_ORYSJ" 6.38 "IC50" "Inhibitory activity against alpha-Glucosidase from rice" "CHEMBL" "=" "Oryza sativa subsp. japonica" "miglustat" 1807 "Trehalase" "Enzyme" "O70282" "Treh" "O70282_RAT" 4.89 "IC50" "Inhibition of Glycosidases (trehalase)in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method" "CHEMBL" "=" "Rattus norvegicus" "miglustat" 1807 "Uncharacterized protein" "Enzyme" "I3LIR5" "TREH" "I3LIR5_PIG" 4.44 "IC50" "Inhibition of porcine kidney trehalase" "CHEMBL" "=" "Sus scrofa" "miglustat" 1807 "Ceramide glucosyltransferase" "Enzyme" "O88693" "Ugcg" "CEGT_MOUSE" 4.64 "IC50" "Inhibition mouse glucosylceramide synthase" "CHEMBL" "=" "Mus musculus" "milnacipran" 1808 "Glutamate receptor ionotropic, NMDA 2A" "Ion channel" "Q12879" "GRIN2A" "NMDE1_HUMAN" 5.2 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "milnacipran" 1808 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.29 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "INHIBITOR" "Tclin" "Homo sapiens" "milnacipran" 1808 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL259209" "INHIBITOR" "Tclin" "Homo sapiens" "milnacipran" 1808 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.21 "IC50" "Inhibition of human DAT" "CHEMBL" "=" "Tclin" "Homo sapiens" "milnacipran" 1808 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.33 "IC50" "Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter" "CHEMBL" "=" "Rattus norvegicus" "milnacipran" 1808 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 4.43 "IC50" "Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from rat synaptosomal DAT expressed in HEK293 cells by microplate scintillation counter" "CHEMBL" "=" "Rattus norvegicus" "milnacipran" 1808 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 7.52 "IC50" "Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter" "CHEMBL" "=" "Rattus norvegicus" "milrinone" 1809 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 6.36 "IC50" "Inhibitory concentration required to inhibit human phosphodiesterase 3A expressed in Escherichia coli" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL189" "INHIBITOR" "Tclin" "Homo sapiens" "milrinone" 1809 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 6.13 "IC50" "Inhibitory activity against cGMP-phosphodiesterase from porcine aorta" "CHEMBL" "=" "Tclin" "Homo sapiens" "milrinone" 1809 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 6.55 "IC50" "Inhibitory concentration required to inhibit human phosphodiesterase 3B expressed in Escherichia coli" "CHEMBL" "=" "Tclin" "Homo sapiens" "milrinone" 1809 "Cyclic nucleotide phosphodiesterase PDE3A" "Enzyme" "Q9XSW7" "Q9XSW7_PIG" 6.07 "IC50" "Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 0.581-1.23" "CHEMBL" "=" "Sus scrofa" "milrinone" 1809 "Cyclic AMP-specific phosphodiesterase SSPDE4A1A" "Enzyme" "O77823" "PDE4A" "O77823_PIG" 4.89 "IC50" "Inhibition of phosphodiesterase 4 (PDE4) from porcine liver, range 10.4-16.3" "CHEMBL" "=" "Sus scrofa" "milrinone" 1809 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 6 "IC50" "Inhibition of bovine arterial Phosphodiesterase 3" "CHEMBL" "=" "Bos taurus" "milrinone" 1809 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "Q28156" "PDE5A" "PDE5A_BOVIN" 5.3 "IC50" "Inhibition of bovine arterial Phosphodiesterase 5" "CHEMBL" "=" "Bos taurus" "milrinone" 1809 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "O89085" "PDE4A" "PDE4A_CAVPO" 5.33 "Ki" "Inhibition of Cavia porcellus (guinea pig) PDE3 isolated from heart using [3H]cAMP as substrate by two-step method" "CHEMBL" "=" "Cavia porcellus" "milrinone" 1809 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 6.82 "Ki" "Inhibition of human phosphodiesterase 3" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "milrinone" 1809 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.22 "IC50" "Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE)" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "miltefosine" 1810 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 5.02 "IC50" "Inhibition of Akt phosphorylation in human insulin-stimulated A549 cells incubated for 2 hrs prior to insulin-induction measured after 30 mins by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "miltefosine" 1810 "Dual specificity phosphatase Cdc25A" "Enzyme" "P30304" "CDC25A" "MPIP1_HUMAN" 4.6 "IC50" "Inhibition of Cell division cycle 25 (Cdc25) phosphatase" "CHEMBL" "=" "Tchem" "Homo sapiens" "mimosine" 1811 "Serine hydroxymethyltransferase, cytosolic" "Enzyme" "P34896" "SHMT1" "GLYC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mimosine" 1811 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 5.43 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mimosine" 1811 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P08543" "RIR1_HHV11" 4.39 "IC50" "WOMBAT-PK" "=" "Human herpesvirus 1 (strain 17)" "mimosine" 1811 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.43 "IC50" "CHEMBL" "=" "Agaricus bisporus" "mimosine" 1811 "Deoxyhypusine hydroxylase" "Enzyme" "Q9BU89" "DOHH" "DOHH_HUMAN" 5.3 "IC50" "Inhibition of DOHH (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "minaprine" 1812 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.77 "Ki" "Binding affinity towards muscarinic M1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "minaprine" 1812 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.07 "IC50" "Inhibition of AChE" "CHEMBL" "=" "Tclin" "Homo sapiens" "minaprine" 1812 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 4.77 "IC50" "Displacement of [3H]pirenzepine from cerebral Muscarinic acetylcholine receptor M1" "CHEMBL" "=" "Rattus norvegicus" "minaprine" 1812 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 4.07 "IC50" "In vitro inhibition of acetylcholinesterase in homogenized rat striatum." "CHEMBL" "=" "Rattus norvegicus" "minocycline" 1813 "Tetracycline resistance protein, class B" "Transporter" "P02980" "tetA" "TCR2_ECOLX" 5.638 "IC50" "WOMBAT-PK" "=" "Escherichia coli" "minocycline" 1813 "30S ribosomal protein S4" "Unclassified" "Q9Z7H2" "rpsD" "RS4_CHLPN" 6 "Ka" "WOMBAT-PK" "=" "Chlamydia pneumoniae" "minocycline" 1813 "30S ribosomal protein S9" "Unclassified" "Q9Z8T8" "rpsI" "RS9_CHLPN" 5.756 "Ka" "WOMBAT-PK" "=" "Chlamydia pneumoniae" "minoxidil" 1814 "ATP-sensitive inward rectifier potassium channel 1" "Ion channel" "P48048" "KCNJ1" "KCNJ1_HUMAN" 6.97 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "minoxidil" 1814 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" "Mechanism of Action; CHEMBL2095198; PROTEIN COMPLEX" "CHEMBL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18258787" "OPENER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mirtazapine" 1816 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.38 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "mirtazapine" 1816 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.263 "Ki" "PDSP" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.7 "Ki" "Inhibition of [3H]rauwolscine binding to Alpha-2A adrenergic receptor" "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.337 "Ki" "PDSP" "Tclin" "Homo sapiens" "mirtazapine" 1816 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.3 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "mirtazapine" 1816 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.16 "Ki" "Inhibition of [125I]R91150 binding to human 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "ANTAGONIST" "Tclin" "Homo sapiens" "mirtazapine" 1816 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.41 "Ki" "Inhibition of [3H]mesulergine binding to human 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL654" "ANTAGONIST" "Tclin" "Homo sapiens" "mirtazapine" 1816 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.58 "Ki" "Inhibition of [3H]5-HT binding to human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.5 "IC50" "Binding affinity at human Alpha-1A adrenergic receptor in CHO cells uby [3H]prazosin (0.25 nM) displacement." "CHEMBL" "=" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.65 "IC50" "Binding affinity at human Alpha-2B adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement." "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "mirtazapine" 1816 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.24 "Ki" "Inhibition of [125I]iodosulpiride binding to human Dopamine receptor D3" "CHEMBL" "=" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.796 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "mirtazapine" 1816 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.74 "Ki" "Inhibition of [3H]rauwolscine binding to Alpha-2C adrenergic receptor" "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "mirtazapine" 1816 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.54 "Ki" "Displacement of [3H]GR65630 from human 5-HT3A receptor expressed in HEK293 cells by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "mirtazapine" 1816 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.84 "Ki" "The binding affinity at the Dopamine receptor D2 determined using [3H]spiperone" "CHEMBL" "=" "Rattus norvegicus" "mirtazapine" 1816 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.7 "Ki" "The binding affinity at 5-hydroxytryptamine 2A receptor was determined using [3H]ketanserin" "CHEMBL" "=" "Rattus norvegicus" "mirtazapine" 1816 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 5.79 "Ki" "Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter" "CHEMBL" "=" "Rattus norvegicus" "mirtazapine" 1816 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.38 "Ki" "Inhibition of [3H]SCH-23390 binding to rat Dopamine receptor D1" "CHEMBL" "=" "Rattus norvegicus" "mirtazapine" 1816 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 8.26 "Ki" "The binding affinity at 5-hydroxytryptamine 2C receptor was determined using [3H]mesulergine" "CHEMBL" "=" "Rattus norvegicus" "mirtazapine" 1816 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.22 "Ki" "Inhibition of [3H]prazosin binding to rat Alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "misoprostol" 1817 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 8.1 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL606" "AGONIST" "Tclin" "Homo sapiens" "misoprostol" 1817 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "misoprostol" 1817 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 7.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "misoprostol" 1817 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5.028 "Ki" "PDSP" "Tclin" "Homo sapiens" "mitiglinide" 1818 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 7 "IC50" "inside-out patches in COS-1 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11716850" "https://pubmed.ncbi.nlm.nih.gov/11716850" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mitomycin" 1819 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.6 "Ki" "Uncompetitive inhibition of hexahistidyl-tagged human IDO1" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitotane" 1820 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.56 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitotane" 1820 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.796 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitotane" 1820 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.09 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitotane" 1820 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.512 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitotane" 1820 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.186 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "mitotane" 1820 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.1 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitotane" 1820 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.376 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "mitotane" 1820 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1670" "INHIBITOR" "Tclin" "Homo sapiens" "mitotane" 1820 "Adrenodoxin, mitochondrial" "Unclassified" "P10109" "FDX1" "ADX_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mitotane" 1820 "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/CHEMBL1670" "INHIBITOR" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.532 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.841 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.306 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.729 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.744 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.108 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.047 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "mitoxantrone" 1821 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" 5.959 "IC90" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58" "INHIBITOR" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 6.287 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.155 "Kact" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "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" "mitoxantrone" 1821 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.9 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.691 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 7.29 "IC50" "Inhibition of recombinant PIM1 (unknown origin) expressed in Escherichia coli BL21(DE3) after 1 hr by HTRF assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.36 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "DNA-(apurinic or apyrimidinic site) lyase" "Enzyme" "P27695" "APEX1" "APEX1_HUMAN" 5.7 "IC50" "Inhibition of human APE1 preincubated for 15 mins followed by substrate addition by HTS assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.748 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "mitoxantrone" 1821 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 5.42 "IC50" "Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing" "CHEMBL" "=" "Human immunodeficiency virus 1" "mitoxantrone" 1821 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 6 "IC50" "Inhibition of BTK (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.52 "IC50" "Inhibition of ROS1 (unknown origin) using poly (Glu,Tyr)4:1 substrate and ATP incubated for 60 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "mitoxantrone" 1821 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.13 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.72 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.28 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.22 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "DNA-3-methyladenine glycosylase" "Enzyme" "P29372" "MPG" "3MG_HUMAN" 5.6 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "mitoxantrone" 1821 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q63470" "Dyrk1a" "DYR1A_RAT" 5.02 "AC50" "active" "CHEMBL" "=" "Rattus norvegicus" "mivacurium" 1822 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "mivacurium" 1822 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL984" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mizolastine" 1824 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.456 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mizolastine" 1824 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "mizolastine" 1824 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.84 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1354949" "ANTAGONIST" "Tclin" "Homo sapiens" "moclobemide" 1825 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.1 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "moclobemide" 1825 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.3 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "moclobemide" 1825 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.97 "Ki" "Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "moclobemide" 1825 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 8.3 "Ki" "Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7428" "INHIBITOR" "Tclin" "Homo sapiens" "moclobemide" 1825 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.97 "Ki" "Competitive inhibition of MAOB in rat liver homogenate by spectrophotometrically" "CHEMBL" "=" "Rattus norvegicus" "moclobemide" 1825 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 8.3 "Ki" "Inhibition of MAO-A in rat liver homogenate by spectrophotometry-based Holt method" "CHEMBL" "=" "Rattus norvegicus" "moclobemide" 1825 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 4.94 "Ki" "Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria" "CHEMBL" "=" "Bos taurus" "modafinil" 1826 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.62 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "modafinil" 1826 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.837 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1373" "INHIBITOR" "Tclin" "Homo sapiens" "modafinil" 1826 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "modafinil" 1826 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.396 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "modafinil" 1826 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "modafinil" 1826 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.6 "Ki" "Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "modafinil" 1826 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 4.19 "IC50" "Inhibition of rat NET-mediated norepinephrine reuptake" "CHEMBL" "=" "Rattus norvegicus" "moexipril" 1827 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.59 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1165" "INHIBITOR" "Tclin" "Homo sapiens" "mofezolac" 1829 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.36 "IC50" "Inhibition of COX2" "CHEMBL" "=" "Tclin" "Homo sapiens" "mofezolac" 1829 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 8.85 "IC50" "Inhibition of COX1" "CHEMBL" "=" "Tclin" "Homo sapiens" "mofezolac" 1829 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 8.85 "IC50" "CHEMBL" "=" "Ovis aries" "mofezolac" 1829 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.36 "IC50" "CHEMBL" "=" "Ovis aries" "molindone" 1830 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.157 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL460" "ANTAGONIST" "Tclin" "Homo sapiens" "molindone" 1830 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.96 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.907 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "molindone" 1830 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.421 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.5 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=207" "ANTAGONIST" "Tclin" "Homo sapiens" "molindone" 1830 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.997 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "molindone" 1830 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.58 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "molindone" 1830 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.583 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.254 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.42 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "molindone" 1830 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.763 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "molindone" 1830 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.62 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "molindone" 1830 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.48 "Ki" "CHEMBL" "=" "Rattus norvegicus" "molindone" 1830 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.85 "Ki" "CHEMBL" "=" "Rattus norvegicus" "molindone" 1830 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 5.8 "Ki" "CHEMBL" "=" "Rattus norvegicus" "molsidomine" 1831 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 4.61 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "mometasone furoate" 1832 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.13 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "mometasone furoate" 1832 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.15 "Ki" "Inhibition of glucocorticoid receptor (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1161" "AGONIST" "Tclin" "Homo sapiens" "mometasone furoate" 1832 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "monobenzone" 1834 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.429 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "monobenzone" 1834 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.992 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "monobenzone" 1834 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.414 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "monobenzone" 1834 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" "Mechanism of Action; CHEMBL1973; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1388" "INHIBITOR" "Tclin" "Homo sapiens" "monobenzone" 1834 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.311 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "montelukast" 1836 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.62 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.833 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.574 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.4 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.58 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.713 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.853 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.495 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.115 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.685 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.611 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "montelukast" 1836 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.958 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "montelukast" 1836 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.772 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 9.3 "Ki" "GRAC: human CysLT1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL787" "ANTAGONIST" "Tclin" "Homo sapiens" "montelukast" 1836 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.328 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.495 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.328 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "montelukast" 1836 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.817 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "montelukast" 1836 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.301 "Ki" "PDSP" "Tchem" "Homo sapiens" "montelukast" 1836 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.068 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "montelukast" 1836 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.895 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "montelukast" 1836 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 9.3 "Ki" "Binding affinity towards Cysteinyl leukotriene D4 receptor (cysLT1) was measured by the displacement of [3H]LTD4 radioligand" "CHEMBL" "=" "Cavia porcellus" "montelukast" 1836 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q13304" "GPR17" "GPR17_HUMAN" 5.18 "Ki" "Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "montelukast" 1836 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q6NS65" "Gpr17" "GPR17_MOUSE" 7.21 "IC50" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "moperone" 1837 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "moperone" 1837 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "moperone" 1837 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.134 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "moracizine" 1842 "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/CHEMBL1075" "BLOCKER" "Tclin" "Homo sapiens" "morphine" 1845 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.86 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL70" "AGONIST" "Tclin" "Homo sapiens" "morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.97 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "morphine" 1845 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.62 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "morphine" 1845 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.55 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "morphine" 1845 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.11 "Ki" "mu-1 receptor binding affinity in rat brain by 3H [d-Ala2, d-Leu5] enkephalin displacement." "CHEMBL" "=" "Rattus norvegicus" "morphine" 1845 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.92 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "morphine" 1845 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.06 "Ki" "Binding affinity towards Opioid receptor mu 1 of guinea pig brain membranes using radioligand 0.25 nM [3H]DAMGO" "CHEMBL" "=" "Cavia porcellus" "morphine" 1845 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7 "Ki" "Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse brain membranes after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Mus musculus" "morphine" 1845 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.74 "Ki" "Displacement of [3H]DPDPE from delta opioid receptor in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.62 "Ki" "Binding affinity towards guinea pig Opioid receptor kappa 1 using radioligand [3H]U-69593" "CHEMBL" "=" "Cavia porcellus" "morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 7.57 "Ki" "Inhibition of 9 (2 nM) binding to Opioid receptor kappa 1 of rat brain homogenate" "CHEMBL" "=" "Rattus norvegicus" "morphine" 1845 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 6.52 "Ki" "Evaluated for the binding affinity at kappa receptor" "CHEMBL" "=" "Mus musculus" "morphine" 1845 "Mu-type opioid receptor" "GPCR" "P79350" "OPRM1" "OPRM_BOVIN" 9.3 "Ki" "Binding affinity towards opioid receptor mu 1" "CHEMBL" "=" "Bos taurus" "morphine" 1845 "Nociceptin receptor" "GPCR" "P47748" "OPRL1" "OPRX_CAVPO" 7.86 "Ki" "Displacement of radiolabeled NalBzOH from kappa3 opioid receptor in Hartley guinea pig brain" "CHEMBL" "=" "Cavia porcellus" "morphine" 1845 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 8.22 "Ki" "Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na" "CHEMBL" "=" "Rattus norvegicus" "morphine" 1845 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 8.27 "IC50" "Concentration inhibiting the specific binding of [3H]naloxone by 50% in the absence of NaCl" "CHEMBL" "=" "Rattus norvegicus" "morphine" 1845 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Sigmar1|Oprd1|Oprk1|Oprm1" "SGMR1_MOUSE|OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE" 7.57 "IC50" "Concentration required to inhibit [3H]naltrexone binding to Opioid receptors" "CHEMBL" "=" "Mus musculus" "morphine" 1845 "Mu opioid receptor-like OR2" "GPCR" "Q98UH1" "oprm1" "Q98UH1_DANRE" 6.73 "Ki" "CHEMBL" "=" "Danio rerio" "morphine" 1845 "Opioid receptor, delta 1b" "GPCR" "B3DH72" "oprd1b" "B3DH72_DANRE" 5.85 "Ki" "Displacement of [3H]DPN from zebrafish delta 1b opioid receptor expressed in HEK293 cell membranes after 4 hrs by scintillation counting method" "CHEMBL" "=" "Danio rerio" "morphine" 1845 "Opioid receptor homologue" "GPCR" "O57585" "oprd1a" "O57585_DANRE" 6.65 "Ki" "Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method" "CHEMBL" "=" "Danio rerio" "mosapramine" 1847 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 10.52 "Ki" "Agonist activity at dopamine D4 receptor (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "mosapramine" 1847 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 10.52 "Ki" "Agonist activity at dopamine D4 receptor (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "mosapride" 1848 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 7.16 "Ki" "Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "Cavia porcellus" "mosapride" 1848 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.86 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.891 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.32 "IC50" "Inhibition of human ERG expressed in HEK293 cells by whole cell patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.155 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.694 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.725 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.683 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.06 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "mosapride" 1848 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "mosapride" 1848 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.398 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "mosapride" 1848 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "mosapride" 1848 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 5.92 "Ki" "Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "Rattus norvegicus" "mosapride" 1848 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8950316" "AGONIST" "Tclin" "Homo sapiens" "latamoxef" 1851 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 5.938 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74632" "INHIBITOR" "Escherichia coli (strain K12)" "latamoxef" 1851 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 6.716 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74632" "INHIBITOR" "Escherichia coli (strain K12)" "latamoxef" 1851 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 4.637 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL74632" "INHIBITOR" "Escherichia coli (strain K12)" "moxastine" 1852 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/13757612" "ANTAGONIST" "Tclin" "Homo sapiens" "moxifloxacin" 1854 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 6.1 "IC50" "Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4" "CHEMBL" "=" "Staphylococcus aureus" "moxifloxacin" 1854 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 5.04 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "moxifloxacin" 1854 "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/CHEMBL32" "INHIBITOR" "Escherichia coli (strain K12)" "moxifloxacin" 1854 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" 6.52 "IC50" "Inhibitory activity against wild type Escherichia coli gyrase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL32" "INHIBITOR" "Escherichia coli (strain K12)" "moxonidine" 1856 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.82 "Ki" "Binding affinity for human Alpha-2A adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "moxonidine" 1856 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.397 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "moxonidine" 1856 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.7 "Ki" "Binding affinity for human Alpha-2C adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "moxonidine" 1856 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 6 "Ki" "Binding affinity for rat Alpha-2B adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "moxonidine" 1856 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.15 "IC50" "CHEMBL" "=" "Rattus norvegicus" "moxonidine" 1856 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 7.11 "Ki" "CHEMBL" "=" "Rattus norvegicus" "moxonidine" 1856 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.38 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8872297" "AGONIST" "Tclin" "Homo sapiens" "mupirocin" 1857 "Isoleucine--tRNA ligase" "Enzyme" "P00956" "ileS" "SYI_ECOLI" 8.6 "Ki" "Competitive inhibition of Escherichia coli Isoleucyl-tRNA synthetase" "CHEMBL" "=" "Escherichia coli (strain K12)" "mupirocin" 1857 "Isoleucine--tRNA ligase, cytoplasmic" "Enzyme" "P41252" "IARS" "SYIC_HUMAN" 9.1 "IC50" "Compound was evaluated for inhibitory activity against Isoleucyl-tRNA synthetase" "CHEMBL" "=" "Tchem" "Homo sapiens" "mupirocin" 1857 "Isoleucine--tRNA ligase" "Enzyme" "P41972" "ileS" "SYI1_STAAU" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL719" "INHIBITOR" "Staphylococcus aureus" "mupirocin" 1857 "Isoleucine--tRNA ligase" "Enzyme" "Q99YW3" "ileS" "SYI_STRP1" "Mechanism of Action; CHEMBL2364671; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL719" "INHIBITOR" "Streptococcus pyogenes serotype M1" "mupirocin" 1857 "Isoleucine--tRNA ligase" "Enzyme" "P56690" "ileS" "SYI_THET8" 7.22 "Ki" "Inhibition of recombinant Thermus thermophilus HB8 IleRS L583F mutant assessed as suppression of L-[14C]isoleucyl-tRNA(Ile) formation" "CHEMBL" "=" "Thermus thermophilus" "mycophenolate mofetil" 1859 "Inosine-5'-monophosphate dehydrogenase 1" "Enzyme" "P20839" "IMPDH1" "IMDH1_HUMAN" 7.481 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10878285" "https://pubmed.ncbi.nlm.nih.gov/10878285" "INHIBITOR" "Tclin" "Homo sapiens" "mycophenolate mofetil" 1859 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" 8.155 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10878285" "https://pubmed.ncbi.nlm.nih.gov/10878285" "INHIBITOR" "Tclin" "Homo sapiens" "mycophenolic acid" 1860 "Inosine-5'-monophosphate dehydrogenase 1" "Enzyme" "P20839" "IMPDH1" "IMDH1_HUMAN" 7.48 "Ki" "Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 1 (IMPDH type I isoform); Range is 33-37 nM" "CHEMBL" "=" "Tclin" "Homo sapiens" "mycophenolic acid" 1860 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" 8.22 "Ki" "Inhibitory activity against human Inosine-5'-monophosphate dehydrogenase 2 (IMPDH type II isoform); Range is 6-10 nM" "CHEMBL" "=" "Tclin" "Homo sapiens" "mycophenolic acid" 1860 "Inosine-5'-monophosphate dehydrogenase (IMPDH)" "Enzyme" "P12268|P20839" "IMPDH2|IMPDH1" "IMDH2_HUMAN|IMDH1_HUMAN" 4.7 "IC50" "Inhibitory activity against (IMPDH) inosine 5'-monophosphate dehydrogenase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2106643" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mycophenolic acid" 1860 "Inosine-5'-monophosphate dehydrogenase" "Unclassified" "Q5KP44" "" "IMDH_CRYNJ" 6.92 "IC50" "Inhibition of recombinant Cryptococcus neoformans His-tagged IMPDH expressed in Escherichia coli BL21 (DE3) using IMP as substrate in presence of NAD" "CHEMBL" "=" "Cryptococcus neoformans var. neoformans serotype D" "nabilone" 1862 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 8.4 "Ki" "Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2218896" "AGONIST" "Tclin" "Homo sapiens" "nabilone" 1862 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 8.2 "Ki" "Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "nabilone" 1862 "Cannabinoid receptor 1" "GPCR" "P20272" "Cnr1" "CNR1_RAT" 8.66 "Ki" "CHEMBL" "=" "Rattus norvegicus" "nabilone" 1862 "Cannabinoid receptor 2" "GPCR" "P47936" "Cnr2" "CNR2_MOUSE" 8.74 "Ki" "CHEMBL" "=" "Mus musculus" "nabumetone" 1863 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "Mechanism of Action; CHEMBL230; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1070" "INHIBITOR" "Tclin" "Homo sapiens" "nabumetone" 1863 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 3.34 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nabumetone" 1863 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.732 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nabumetone" 1863 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.301 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nabumetone" 1863 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.001 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nadolol" 1865 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL649" "ANTAGONIST" "Tclin" "Homo sapiens" "nadolol" 1865 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL649" "ANTAGONIST" "Tclin" "Homo sapiens" "nadolol" 1865 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "nafamostat" 1867 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 6.62 "IC50" "Compound was evaluated for inhibitory activity against plasmin." "CHEMBL" "=" "Tclin" "Homo sapiens" "nafamostat" 1867 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.54 "IC50" "Compound was evaluated for inhibitory activity against Thrombin." "CHEMBL" "=" "Tclin" "Homo sapiens" "nafamostat" 1867 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 7.77 "IC50" "In vitro for inhibition of purified bovine trypsin." "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "INHIBITOR" "Tclin" "Homo sapiens" "nafamostat" 1867 "Kallikrein-1" "Enzyme" "P06870" "KLK1" "KLK1_HUMAN" 6.19 "IC50" "Compound was evaluated for inhibitory activity against Kallikrein." "CHEMBL" "=" "Tchem" "Homo sapiens" "nafamostat" 1867 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 4.68 "IC50" "Inhibitory concentration against Coagulation factor X" "CHEMBL" "=" "Tclin" "Homo sapiens" "nafamostat" 1867 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 10.7 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "nafamostat" 1867 "Complement C1r subcomponent" "Enzyme" "P00736" "C1R" "C1R_HUMAN" 6 "IC50" "Inhibition of C1r serine protease" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "INHIBITOR" "Tclin" "Homo sapiens" "nafamostat" 1867 "Complement C1s subcomponent" "Enzyme" "P09871" "C1S" "C1S_HUMAN" 6.85 "IC50" "Compound was evaluated for inhibitory activity against C1s serine protease. " "CHEMBL" "=" "Tchem" "Homo sapiens" "nafamostat" 1867 "Acid-sensing ion channel 2" "Ion channel" "Q16515" "ASIC2" "ASIC2_HUMAN" 4.2 "IC50" "IUPHAR" "~" "BLOCKER" "Tbio" "Homo sapiens" "nafamostat" 1867 "Acid-sensing ion channel 1" "Ion channel" "P78348" "ASIC1" "ASIC1_HUMAN" 4.9 "IC50" "IUPHAR" "~" "BLOCKER" "Tchem" "Homo sapiens" "nafamostat" 1867 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 7.77 "IC50" "The compound was evaluated to inhibit trypsin and is expressed in IC50 (The concentration required to inhibit 50% of the enzyme)." "CHEMBL" "=" "Bos taurus" "nafamostat" 1867 "Acid-sensing ion channel 3" "Ion channel" "Q9UHC3" "ASIC3" "ASIC3_HUMAN" 5.6 "IC50" "IUPHAR" "~" "BLOCKER" "Tchem" "Homo sapiens" "nafamostat" 1867 "Tryptase alpha/beta-1" "Enzyme" "Q15661" "TPSAB1" "TRYB1_HUMAN" 10 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4262" "INHIBITOR" "Tclin" "Homo sapiens" "nafamostat" 1867 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 9.28 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "nafamostat" 1867 "Hepatocyte growth factor activator" "Enzyme" "Q04756" "HGFAC" "HGFA_HUMAN" 7.6 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "nafamostat" 1867 "Transmembrane protease serine 2" "Enzyme" "O15393" "TMPRSS2" "TMPS2_HUMAN" 7 "IC50" "Inhibition of TMPRSS2-dependent MERS-S-mediated membrane fusion in an in vitro reporter assay." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "nafarelin" 1868 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.699 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201309" "AGONIST" "Tclin" "Homo sapiens" "nafcillin" 1869 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "nafcillin" 1869 "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/CHEMBL1443" "INHIBITOR" "Staphylococcus aureus" "naftidrofuryl" 1870 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.82 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells by liquid scintillation spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "naftifine" 1872 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.06 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "naftifine" 1872 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 5.82 "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" "naftifine" 1872 "Squalene monooxygenase" "Enzyme" "Q14534" "SQLE" "ERG1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "naftifine" 1872 "Squalene epoxidase" "Enzyme" "Q4JEY0" "Q4JEY0_TRIRU" "Mechanism of Action; CHEMBL2364679; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL626" "INHIBITOR" "Trichophyton rubrum" "naftifine" 1872 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 6.51 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "naftifine" 1872 "Dehydrosqualene desaturase" "Enzyme" "O07855" "crtN" "CRTN_STAAE" 6.53 "IC50" "Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation" "CHEMBL" "=" "Staphylococcus aureus (strain Newman)" "naftopidil" 1873 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 6 "Ki" "Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]DHA binding in rat lung" "CHEMBL" "=" "Canis familiaris" "naftopidil" 1873 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.8 "Ki" "Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "naftopidil" 1873 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.41 "Ki" "Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain" "CHEMBL" "=" "Rattus norvegicus" "naftopidil" 1873 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.432 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10976457" "https://pubmed.ncbi.nlm.nih.gov/10976457" "ANTAGONIST" "Tclin" "Homo sapiens" "naftopidil" 1873 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.921 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10976457" "https://pubmed.ncbi.nlm.nih.gov/10976457" "ANTAGONIST" "Tclin" "Homo sapiens" "naftopidil" 1873 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.699 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10976457" "https://pubmed.ncbi.nlm.nih.gov/10976457" "ANTAGONIST" "Tclin" "Homo sapiens" "nalbuphine" 1874 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL895" "AGONIST" "Tclin" "Homo sapiens" "nalbuphine" 1874 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL895" "AGONIST" "Tclin" "Homo sapiens" "nalbuphine" 1874 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL895" "AGONIST" "Tclin" "Homo sapiens" "nalbuphine" 1874 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 7.4 "IC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "nalidixic acid" 1875 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nalidixic acid" 1875 "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/CHEMBL5" "INHIBITOR" "Escherichia coli (strain K12)" "nalmefene" 1876 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.53 "Kd" "Activity at human mu opioid receptor by [35S]GTPgammaS binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "ANTAGONIST" "Tclin" "Homo sapiens" "nalmefene" 1876 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.92 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "ANTAGONIST" "Tclin" "Homo sapiens" "nalmefene" 1876 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 9.04 "Kd" "Activity at human delta opioid receptor by [35S]GTPgammaS binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL982" "ANTAGONIST" "Tclin" "Homo sapiens" "nalmefene" 1876 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.54 "Ki" "Binding affinity towards mu-opioid receptor by the displacement of [3H]Nal in rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "nalmefene" 1876 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.47 "Ki" "Binding affinity towards delta-opioid receptor by displacement of [3H]DADL in rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "nalmefene" 1876 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 8.7 "Ki" "Binding affinity towards kappa opioid receptor by displacement of [3H]EKC in guinea pig cortical tissue" "CHEMBL" "=" "Cavia porcellus" "nalorphine" 1877 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.72 "Ki" "Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "nalorphine" 1877 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.32 "IC50" "Inhibition of specific binding of [3H]NANM of sigma receptor in Guinea pig brain membranes" "CHEMBL" "=" "Tclin" "Homo sapiens" "nalorphine" 1877 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.42 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "nalorphine" 1877 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.92 "Ki" "Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "nalorphine" 1877 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.7 "Ki" "Compound administered subcutaneously was evaluated for inhibition constant measured as the displacement of [3H]DAGO from rat brain" "CHEMBL" "=" "Rattus norvegicus" "nalorphine" 1877 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.82 "Ki" "Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC as radioligand" "CHEMBL" "=" "Cavia porcellus" "nalorphine" 1877 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 8.82 "EC50" "Binding affinity to rat brain opioid receptor" "CHEMBL" "=" "Rattus norvegicus" "nalorphine" 1877 "Opioid receptor" "GPCR" "O55242|P32300|P33534|P42866" "Sigmar1|Oprd1|Oprk1|Oprm1" "SGMR1_MOUSE|OPRD_MOUSE|OPRK_MOUSE|OPRM_MOUSE" 7.23 "IC50" "Concentration required to inhibit the stereospecific [3H]diprenorphine binding Opioid receptors in the absence of sodium(Na+) was determined in mouse isolated vas deferens" "CHEMBL" "=" "Mus musculus" "naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.81 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1718" "ANTAGONIST" "Tclin" "Homo sapiens" "naloxone" 1878 "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" "naloxone" 1878 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 8.8 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.5 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "naloxone" 1878 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.27 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.4 "Kd" "Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1)" "CHEMBL" "=" "Rattus norvegicus" "naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.17 "Ki" "Affinity to mu-receptor, using [3H]DAMGO as radioligand in homogenates of guinea pig brain membranes" "CHEMBL" "=" "Cavia porcellus" "naloxone" 1878 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7.3 "Kd" "Tested for inhibitory activity against (DPDE)delta receptor in mouse vas deferens" "CHEMBL" "=" "Mus musculus" "naloxone" 1878 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 7.74 "Kd" "Affinity against the Opioid receptor delta 1" "CHEMBL" "=" "Rattus norvegicus" "naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 8.5 "Ki" "Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membrane" "CHEMBL" "=" "Cavia porcellus" "naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 9 "Kd" "Compound was evaluated for Opioid receptor kappa 1 affinity against the receptor site model site 4(kappa)" "CHEMBL" "=" "Rattus norvegicus" "naloxone" 1878 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 8.3 "IC50" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "naloxone" 1878 "Mu-type opioid receptor" "GPCR" "P79350" "OPRM1" "OPRM_BOVIN" 8.3 "IC50" "Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine striatum membrane" "CHEMBL" "=" "Bos taurus" "naloxone" 1878 "C-C chemokine receptor type 5" "GPCR" "P51682" "Ccr5" "CCR5_MOUSE" 7.98 "Kd" "Binding affinity to CCR5 in NY1DD transgenic mouse brain membrane" "CHEMBL" "=" "Mus musculus" "naloxone" 1878 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 9 "Kd" "Displacement of [3H]-(-)-naloxone from opiate receptor in rat brain membrane" "CHEMBL" "=" "Rattus norvegicus" "nandrolone" 1879 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6949" "AGONIST" "Tclin" "Homo sapiens" "nandrolone" 1879 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.14 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "nandrolone" 1879 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.3 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "nandrolone" 1879 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.45 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "nandrolone" 1879 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.678 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "nandrolone" 1879 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.65 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "nandrolone decanoate" 1881 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL757" "AGONIST" "Tclin" "Homo sapiens" "nandrolone decanoate" 1881 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.14 "Ki" "Binding affinity to human CBG receptor (corticosteroid-binding globulins)" "CHEMBL" "=" "Tbio" "Homo sapiens" "nandrolone decanoate" 1881 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.3 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "nandrolone decanoate" 1881 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.46 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "nandrolone decanoate" 1881 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.68 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "CHEMBL" "=" "Rattus norvegicus" "nandrolone decanoate" 1881 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.65 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "CHEMBL" "=" "Bos taurus" "nandrolone phenpropionate" 1882 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nandrolone phenpropionate" 1882 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200412" "AGONIST" "Tclin" "Homo sapiens" "naproxen" 1883 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.6 "IC50" "Inhibition activity against recombinant human Prostaglandin G/H synthase 2" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "INHIBITOR" "Tclin" "Homo sapiens" "naproxen" 1883 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.16 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL154" "INHIBITOR" "Tclin" "Homo sapiens" "naproxen" 1883 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.5 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "naproxen" 1883 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 6.32 "IC50" "Inhibition of recombinant human AKR1C3" "CHEMBL" "=" "Tchem" "Homo sapiens" "naproxen" 1883 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.74 "IC50" "Inhibition of ovine COX-1" "CHEMBL" "=" "Ovis aries" "naproxen" 1883 "Prostaglandin-H2 D-isomerase" "Enzyme" "O09114" "Ptgds" "PTGDS_MOUSE" 4.89 "IC50" "Concentration required to inhibit 50% activity of prostaglandin synthetase was determined in vitro in mouse brain microsomes" "CHEMBL" "=" "Mus musculus" "naproxen" 1883 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.47 "IC50" "Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immunoassay" "CHEMBL" "=" "Ovis aries" "naproxen" 1883 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.96 "IC50" "Inhibition of bovine seminal microsomal COX1 assessed as PGE2 production preincubated for 10 mins" "CHEMBL" "=" "Bos taurus" "naproxen" 1883 "Hormone-sensitive lipase" "Enzyme" "P15304" "Lipe" "LIPS_RAT" 5.92 "IC50" "Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay" "CHEMBL" "=" "Rattus norvegicus" "naproxen" 1883 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 7.22 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils" "CHEMBL" "=" "Rattus norvegicus" "naratriptan" 1884 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.35 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "naratriptan" 1884 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.48 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1278" "AGONIST" "Tclin" "Homo sapiens" "naratriptan" 1884 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.796 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1278" "AGONIST" "Tclin" "Homo sapiens" "naratriptan" 1884 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "naratriptan" 1884 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "nateglinide" 1886 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 5.04 "Ki" "Inhibition of rat Oat1 expressed in Xenopus oocytes" "CHEMBL" "=" "Rattus norvegicus" "nateglinide" 1886 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" 6.46 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL783" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nateglinide" 1886 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 4.99 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nebivolol" 1887 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201731" "ANTAGONIST" "Tclin" "Homo sapiens" "nebivolol" 1887 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201731" "ANTAGONIST" "Tclin" "Homo sapiens" "nebivolol" 1887 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nebivolol" 1887 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.66 "Ki" "Radioligand binding" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "nebivolol" 1887 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.66 "Ki" "Radioligand binding" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "nedocromil" 1889 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "nedocromil" 1889 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 6.013 "EC50" "GPR35a–beta-arrestin-2 interaction assays performed using a CHO–K1 cell line stably expressing human GPR35 and beta-arrestin-2" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24113750" "AGONIST" "Tchem" "Homo sapiens" "nefazodone" 1890 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.745 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nefazodone" 1890 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6 "Ki" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "nefazodone" 1890 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.699 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "INHIBITOR" "Tclin" "Homo sapiens" "nefazodone" 1890 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.444 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "INHIBITOR" "Tclin" "Homo sapiens" "nefazodone" 1890 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.097 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nefazodone" 1890 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL623" "ANTAGONIST" "Tclin" "Homo sapiens" "nefazodone" 1890 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.143 "Ki" "PDSP" "Tclin" "Homo sapiens" "nefazodone" 1890 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.789 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nefazodone" 1890 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.635 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nefazodone" 1890 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.432 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nefazodone" 1890 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.444 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nefazodone" 1890 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.98 "IC50" "Inhibition of AChE (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "nefazodone" 1890 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.38 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "nefazodone" 1890 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.28 "Ki" "Binding affinity to rat 5HT1A receptor" "CHEMBL" "=" "Rattus norvegicus" "nefazodone" 1890 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.86 "Ki" "Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "nefazodone" 1890 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.62 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "nefazodone" 1890 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.15 "Ki" "Binding affinity to rat 5HT2A receptor" "CHEMBL" "=" "Rattus norvegicus" "nefazodone" 1890 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.24 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "nefazodone" 1890 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.76 "IC50" "CHEMBL" "=" "Rattus norvegicus" "nefazodone" 1890 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.15 "Ki" "Binding affinity to rat 5HT2A receptor" "CHEMBL" "=" "Rattus norvegicus" "nefazodone" 1890 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.28 "Ki" "Binding affinity to rat 5HT1A receptor" "CHEMBL" "=" "Rattus norvegicus" "nefopam" 1891 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "nefopam" 1891 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.538 "Ki" "PDSP" "Tclin" "Homo sapiens" "nefopam" 1891 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.481 "Ki" "PDSP" "Tclin" "Homo sapiens" "nefopam" 1891 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.773 "Ki" "PDSP" "Tclin" "Homo sapiens" "nefopam" 1891 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.481 "Ki" "PDSP" "Tclin" "Homo sapiens" "nefopam" 1891 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.252 "Ki" "PDSP" "Tclin" "Homo sapiens" "nefopam" 1891 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.275 "Ki" "PDSP" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.232 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.189 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "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" "nelfinavir" 1893 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.7 "IC50" "Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "nelfinavir" 1893 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.057 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 4.209 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.592 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.909 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.078 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nelfinavir" 1893 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.842 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 4.632 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.255 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "nelfinavir" 1893 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.101 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.098 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nelfinavir" 1893 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.676 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nelfinavir" 1893 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 4.648 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nelfinavir" 1893 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 4.739 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nelfinavir" 1893 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.009 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nelfinavir" 1893 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.615 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "nelfinavir" 1893 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.86 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "nelfinavir" 1893 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.236 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "nelfinavir" 1893 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 11 "Ki" "Inhibition of HIV protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL584" "INHIBITOR" "Human immunodeficiency virus 1" "nelfinavir" 1893 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.15 "Ki" "Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus 1" "nelfinavir" 1893 "Protease" "Unclassified" "O90781" "HIV-1 protease" "O90781_9PLVG" 8.49 "Ki" "Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus" "nelfinavir" 1893 "Protease" "Unclassified" "Q9YQ30" "HIV-1 protease" "Q9YQ30_9PLVG" 8.68 "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" "nemonapride" 1895 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "nemonapride" 1895 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.68 "Kd" "Binding Affinity to Human Dopamine receptor D4 expressed in CHO cells was determined using [3H]- nemonapride as radioligand" "CHEMBL" "=" "Tchem" "Homo sapiens" "nemonapride" 1895 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.27 "IC50" "Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]prazosin binding assay in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "nemonapride" 1895 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.8 "Ki" "Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determined using [125 I ] iodosulpride as radioligand" "CHEMBL" "=" "Rattus norvegicus" "nemonapride" 1895 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.31 "IC50" "Binding affinity to serotonin 5-hydroxytryptamine 2A receptors using a radioligand [3H]ketanserin binding assay in rat cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "nemonapride" 1895 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 9.8 "Ki" "Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand" "CHEMBL" "=" "Rattus norvegicus" "framycetin" 1896 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" 6.4 "IC50" "Inhibition of TRPV1-mediated membrane currents in human DRG neurons" "CHEMBL" "=" "Tclin" "Homo sapiens" "framycetin" 1896 "30S ribosomal protein S12" "Cytosolic other" "P0A7S3" "rpsL" "RS12_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "framycetin" 1896 "Phenylalanine--tRNA ligase alpha subunit" "Enzyme" "P08312" "pheS" "SYFA_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "framycetin" 1896 "Phenylalanine--tRNA ligase beta subunit" "Enzyme" "P07395" "pheT" "SYFB_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "framycetin" 1896 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 6.3 "Ki" "Inhibition of anthrax lethal factor metalloprotease" "CHEMBL" "=" "Bacillus anthracis" "framycetin" 1896 "Lecithin retinol acyltransferase" "Enzyme" "O95237" "LRAT" "LRAT_HUMAN" 4.83 "IC50" "Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated lecithin retinol acyltransferase" "CHEMBL" "=" "Tbio" "Homo sapiens" "framycetin" 1896 "Menin" "Unclassified" "O00255" "MEN1" "MEN1_HUMAN" 4.81 "Kd" "Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "framycetin" 1896 "Extracellular calcium-sensing receptor" "GPCR" "P48442" "Casr" "CASR_RAT" 4 "Kd" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.59 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL278020" "INHIBITOR" "Tclin" "Homo sapiens" "neostigmine" 1897 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.22 "IC50" "Inhibition of human plasma BChE pretreated for 30 mins by Ellman technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 8.34 "IC50" "Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as substrate preincubated for 10 mins followed by substrate addition measured every 30 secs for 30 mins by Ellmans method" "CHEMBL" "=" "Torpedo californica" "neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 7.46 "IC50" "Inhibition of Wistar rat brain AChE by Ellman colorimetric assay" "CHEMBL" "=" "Rattus norvegicus" "neostigmine" 1897 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6 "Ki" "Tested for in vitro inhibition of acetylcholinesterase" "CHEMBL" "=" "Electrophorus electricus" "neostigmine" 1897 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.15 "IC50" "Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 10 mins by Ellman method" "CHEMBL" "=" "Equus caballus" "nepafenac" 1899 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.82 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D05143" "INHIBITOR" "Tclin" "Homo sapiens" "nepafenac" 1899 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.6 "IC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D05143" "INHIBITOR" "Tclin" "Homo sapiens" "nepafenac" 1899 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 6.7 "IC50" "Inhibition of PG synthetase activity obtained from bovine seminal vesicles" "CHEMBL" "=" "Bos taurus" "nepafenac" 1899 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 7 "IC50" "Inhibitory activity against Prostaglandin G/H synthase" "CHEMBL" "=" "Rattus norvegicus" "nepinalone" 1900 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.523 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22711801" "Tclin" "Homo sapiens" "nesiritide" 1901 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/20920s033lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "nevirapine" 1904 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" 7.097 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" "nevirapine" 1904 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 7 "IC50" "Inhibition of HIV-1 RT using rC-dG as template" "CHEMBL" "=" "Human immunodeficiency virus 1" "nevirapine" 1904 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 6.4 "Ki" "Inhibition of HIV-1 wild-type RT" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL57" "INHIBITOR" "Human immunodeficiency virus 1" "nevirapine" 1904 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 6.3 "IC50" "Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency virus 1 recombinant reverse transcriptase expressed in Escherichia coli using poly(rA)oligo(dT) template primer after 30 min" "CHEMBL" "=" "Human immunodeficiency virus 1" "nevirapine" 1904 "Reverse transcriptase protein" "Unclassified" "Q9WJQ2" "reverse transcriptase" "Q9WJQ2_9HIV1" 5.4 "Ki" "Inhibition of HIV1 recombinant reverse transcriptase K103N mutant-DNA binary complex expressed in Escherichia coli BL21" "CHEMBL" "=" "Human immunodeficiency virus 1" "nicotinamide" 1906 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "nicotinamide" 1906 "Hydroxycarboxylic acid receptor 3" "GPCR" "P49019" "HCAR3" "HCAR3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "nicotinamide" 1906 "Nicotinamide N-methyltransferase" "Enzyme" "P40261" "NNMT" "NNMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "nicotinamide" 1906 "Nicotinate-nucleotide pyrophosphorylase [carboxylating]" "Enzyme" "Q15274" "QPRT" "NADC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "nicotinamide" 1906 "NAD-dependent protein deacetylase sirtuin-1" "Enzyme" "Q96EB6" "SIRT1" "SIR1_HUMAN" 4.3 "IC50" "Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nicotinamide" 1906 "NAD-dependent protein deacetylase sirtuin-2" "Enzyme" "Q8IXJ6" "SIRT2" "SIR2_HUMAN" 5.92 "IC50" "Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nicotinamide" 1906 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 5.48 "IC50" "Inhibition of Wistar rat brain FAAH" "CHEMBL" "=" "Rattus norvegicus" "nicotinamide" 1906 "NAD-dependent deacetylase HST2" "Enzyme" "P53686" "HST2" "HST2_YEAST" 4.04 "IC50" "Inhibition of yeast Hst2 by fluorimetric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "nicotinamide" 1906 "NAD-dependent deacetylase sirtuin 3" "Enzyme" "Q9NTG7" "SIRT3" "SIR3_HUMAN" 4.85 "IC50" "Inhibition of human recombinant SIRT3 after 60 mins by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "nicotinamide" 1906 "NAD-dependent protein deacylase sirtuin-5, mitochondrial" "Enzyme" "Q9NXA8" "SIRT5" "SIR5_HUMAN" 4.33 "IC50" "Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "nicotinamide" 1906 "Putative silent information regulator 2" "Unclassified" "Q8I6E4" "SIR2RP1" "Q8I6E4_LEIIN" 4.4 "IC50" "Inhibition of Leishmania infantum SIR2RP1" "CHEMBL" "=" "Leishmania infantum" "nicotinamide" 1906 "Sterile alpha and TIR motif-containing protein 1" "Unclassified" "Q6SZW1" "SARM1" "SARM1_HUMAN" 4.36 "IC50" "Inhibition of StrepTag-tagged human SARM1 TIR (561 to 724 residues) expressed in HEK293T cells assessed as reduction in NADase activity in presence of NAD+ incubated for 60 mins by HPLC analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "nicardipine" 1909 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.377 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nicardipine" 1909 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.32 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nicardipine" 1909 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.49 "Ki" "Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "nicardipine" 1909 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "nicardipine" 1909 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.78 "IC50" "Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nicardipine" 1909 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.7 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "nicardipine" 1909 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.553 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "nicardipine" 1909 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.553 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nicardipine" 1909 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.71 "Ki" "Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "nicardipine" 1909 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.2 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "nicardipine" 1909 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.96 "Ki" "Binding affinity against rat Adenosine A3 receptor from CHO cells" "CHEMBL" "=" "Rattus norvegicus" "nicardipine" 1909 "Equilibrative nucleoside transporter 1" "Transporter" "O54698" "Slc29a1" "S29A1_RAT" 5.27 "Ki" "Ability to displace radioligand from Na+ independent Adenosine transporter in rat" "CHEMBL" "=" "Rattus norvegicus" "nicardipine" 1909 "Quinolone resistance protein NorA" "Transporter" "P0A0J7" "norA" "NORA_STAAU" 4.64 "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" "nicardipine" 1909 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.85 "IC50" "Alpha-2-adrenolytic activity was assessed from the ability to inhibit [3H]yohimbine binding to rat cerebral cortex preparation" "CHEMBL" "=" "Rattus norvegicus" "nicardipine" 1909 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.44 "IC50" "Alpha-1-adrenolytic activity was assessed from the ability to inhibit [3H]prazosin binding to rat cerebral cortex preparation" "CHEMBL" "=" "Rattus norvegicus" "nicardipine" 1909 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 9.08 "Ki" "Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "nicardipine" 1909 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1484" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nicardipine" 1909 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.3 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "Tbio" "Homo sapiens" "nicardipine" 1909 "Potassium voltage-gated channel subfamily A member 4" "Ion channel" "P15385" "Kcna4" "KCNA4_RAT" 6.1 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "niclosamide" 1912 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 7.046 "EC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "niclosamide" 1912 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 4.56 "IC50" "Inhibition of KIT after 60 mins by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 4.98 "IC50" "Inhibition of EGFR after 60 mins by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5 "IC50" "Inhibition of Src kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 4.64 "IC50" "Inhibition of VEGFR2 after 60 mins by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5 "IC50" "Inhibition of JAK2" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 4.17 "IC50" "Inhibition of TIE2 after 60 mins by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 4.62 "IC50" "Inhibition of LYN after 60 mins by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 4.88 "IC50" "Inhibition of FGFR-1 after 60 mins by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 4.27 "IC50" "Inhibition of Aurora-A after 60 mins by radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "niclosamide" 1912 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 4.23 "IC50" "Inhibition of Akt1 after 60 mins by radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "niclosamide" 1912 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 4.11 "IC50" "Inhibition of GSK3-beta after 60 mins by radiometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niclosamide" 1912 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 4.08 "IC50" "Inhibition of PDK1 after 60 mins by radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "niclosamide" 1912 "Potassium channel subfamily T member 1" "Ion channel" "Q5JUK3" "KCNT1" "KCNT1_HUMAN" 5.54 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "niclosamide" 1912 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 6.6 "IC50" "Inhibition of STAT3 in human HeLa cells after 24 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "niclosamide" 1912 "Replicase polyprotein 1ab" "Enzyme" "P0C6X7" "rep" "R1AB_CVHSA" 4.4 "IC50" "Inhibition of SARS Co-V 3CL protease" "CHEMBL" "=" "Human SARS coronavirus" "nicorandil" 1919 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q14654" "KCNJ11" "KCJ11_HUMAN" 5.886 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nicorandil" 1919 "ATP-sensitive inward rectifier potassium channel 1" "Ion channel" "P48048" "KCNJ1" "KCNJ1_HUMAN" 5.95 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "nicorandil" 1919 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" 7.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.39 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "nicotine" 1920 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 7.4 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nicotine" 1920 "Cytochrome P450 2A6" "Enzyme" "P11509" "CYP2A6" "CP2A6_HUMAN" 5.356 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "nicotine" 1920 "Acetylcholine-binding protein" "Unclassified" "P58154" "ACHP_LYMST" 7.2 "Ki" "Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP" "CHEMBL" "=" "Lymnaea stagnalis" "nicotine" 1920 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.8 "EC50" "Patch clamp" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "nicotine" 1920 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 9 "Ki" "Bindind affinity values obtained by measuring the displacement of radioligand [3H](-)-cytisine from a preparation of whole rat brain" "CHEMBL" "=" "Torpedo californica" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09483" "Chrna4" "ACHA4_RAT" 9.03 "Ki" "Displacement of [3H]cytisine from alpha4beta2 nAChR in rat brain membrane" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 6.89 "Ki" "Binding affinity to subtype Nicotinic acetylcholine receptor alpha-7 using [125I]-alpha-BTX as radioligand in rat brain" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P49582" "Chrna7" "ACHA7_MOUSE" 6.61 "Ki" "Displacement of [125I]-alpha-Btx from alpha7 nAChR in mouse hippocampal membranes" "CHEMBL" "=" "Mus musculus" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-9" "Ion channel" "P43144" "Chrna9" "ACHA9_RAT" 8.3 "Kd" "The compound was tested for the inhibition of binding of [3H]epibatidine to central nicotinic acetylcholine receptor (nAChR) in rat brain." "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor subunit beta-4" "Ion channel" "P12392" "Chrnb4" "ACHB4_RAT" 7.14 "Ki" "Binding affinity to Nicotinic acetylcholine receptor alpha3-beta4 using +/-[3H]epibatidine as radioligand in pig adrenal gland" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P04757" "Chrna3" "ACHA3_RAT" 7.33 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "P12389" "Chrna2" "ACHA2_RAT" 7.92 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Soluble acetylcholine receptor" "Unclassified" "Q8WSF8" "Q8WSF8_APLCA" 7.52 "Ki" "Binding affinity to salt water mollusc Aplysia californica AChBP Y55W mutant assessed as [3H]acetamiprid binding by radioligand binding assay" "CHEMBL" "=" "Aplysia californica" "nicotine" 1920 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 4.64 "IC50" "Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs" "CHEMBL" "=" "Torpedo californica" "nicotine" 1920 "Lycopene cyclase" "Enzyme" "P21687" "crtY" "CRTY_PANAN" 5.32 "IC50" "Inhibition of Pantoea ananatis lycopene cyclase" "CHEMBL" "=" "Pantoea ananas" "nicotine" 1920 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.61 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "Musca domestica" "nicotine" 1920 "Acetylcholine receptor subunit beta-like 2" "Ion channel" "P25162" "nAChRbeta2" "ACH4_DROME" 5.57 "Ki" "Binding affinity to Drosophila brain nicotinic acetylcholine receptor assessed as [3H]IMI binding by radioligand binding assay" "CHEMBL" "=" "Drosophila melanogaster" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09482" "CHRNA4" "ACHA4_CHICK" 8.72 "Ki" "Binding affinity to recombinant Gallus gallus (chicken) alpha4beta2 nicotinic acetylcholine receptor assessed as [3H]NIC binding by radioligand binding assay" "CHEMBL" "=" "Gallus gallus" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "O70174" "Chrna4" "ACHA4_MOUSE" 8.15 "IC50" "Inhibition of [3H]nicotine binding to alpha4 nicotinic acetylcholine receptor in Mus musculus (mouse) M10 cells co-expressing beta2 nicotinic acetylcholine receptor subunits" "CHEMBL" "=" "Mus musculus" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 8.26 "Ki" "Displacement of [3H]epibatidine from rat nAChR alpha2beta2" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 9 "Ki" "Affinity for Nicotinic acetylcholine receptor alpha4-beta2 tested by analogue-induced inhibition of [3H]NIC binding to rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 6.7 "Ki" "Displacement of [3H]epibatidine from recombinant rat alpha-3-beta-4 nAChr in HEK293 cell line" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 9.4 "Kd" "GRAC: rat AChR-alpha4-beta2 radioligand" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 8.26 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta2 nACHR" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNB4|CHRNA2" "ACHB4_HUMAN|ACHA2_HUMAN" 7.15 "Ki" "Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor" "Ion channel" "P04757|P09483|P12389|P12390|P12391|P12392|P20420|P25108|P25109|P43143|P43144|Q05941|Q9JLB5" "Chrna3|Chrna4|Chrna2|Chrnb2|Chrnb3|Chrnb4|Chrna5|Chrna1|Chrnb1|Chrna6|Chrna9|Chrna7|Chrna10" "ACHA3_RAT|ACHA4_RAT|ACHA2_RAT|ACHB2_RAT|ACHB3_RAT|ACHB4_RAT|ACHA5_RAT|ACHA_RAT|ACHB_RAT|ACHA6_RAT|ACHA9_RAT|ACHA7_RAT|ACH10_RAT" 11 "Kd" "Ability to enhance the binding of (+/-)-[3H]nicotine to the rat brain P2 fraction at binding site 2" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNB2|CHRNA2" "ACHB2_HUMAN|ACHA2_HUMAN" 8.26 "Ki" "Displacement of [3H]epibatidine from alpha2beta2 nAChR after 4 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 8.56 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNB4|CHRNA3" "ACHB4_HUMAN|ACHA3_HUMAN" 5.95 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P17787|P32297" "CHRNB2|CHRNA3" "ACHB2_HUMAN|ACHA3_HUMAN" 7.854 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" 7.64 "Ki" "Displacement of [3H]epibatidine from alpha4beta4 nAChR after 4 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nicotine" 1920 "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" 4.15 "Ki" "In vitro Binding affinity towards 5-hydroxytryptamine 3 receptor was determined" "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" "nicotine" 1920 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 5.83 "Ki" "Binding affinity to alpha-1-beta-gamma-delta nicotinic receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha3/alpha6/beta2/beta3" "Ion channel" "P17787|P32297|Q05901|Q15825" "CHRNB2|CHRNA3|CHRNB3|CHRNA6" "ACHB2_HUMAN|ACHA3_HUMAN|ACHB3_HUMAN|ACHA6_HUMAN" 7.07 "IC50" "Antagonist activity at human alpha6/alpha3beta2beta3 nAChR expressed in human SHEP1 cells assessed as inhibition of carbamylcholine-induced 86Rb+ ion efflux preincubated for 10 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P12389|P12392" "Chrna2|Chrnb4" "ACHA2_RAT|ACHB4_RAT" 7.15 "Ki" "Displacement of [3H]epibatidine from rat nAChR alpha2beta4" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Acetylcholine receptor" "Ion channel" "P02710|P02712|P02714|P02718" "CHRNA1|CHRNB1|CHRNG|chrnd" "ACHA_TORCA|ACHB_TORCA|ACHG_TORCA|ACHD_TORCA" 5.2 "Ki" "Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax" "CHEMBL" "=" "Torpedo californica" "nicotine" 1920 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 4.55 "IC50" "Inhibitory concentration required for in vitro binding affinity to cholinergic central muscarinic receptor on rat brain cortex by using [3H]OXO-M" "CHEMBL" "=" "Rattus norvegicus" "nicotine" 1920 "Acetylcholine receptor subunit alpha" "Ion channel" "P02708" "CHRNA1" "ACHA_HUMAN" 4.68 "IC50" "Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta1 nicotinic acetylcholine receptor subunits" "CHEMBL" "=" "Tclin" "Homo sapiens" "nicotine" 1920 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 7.35 "IC50" "Inhibition of [3H]nicotine binding to alpha3 nicotinic acetylcholine receptor in Homo sapiens (human) SH-SY5Y cells co-expressing beta2beta4alpha5 Nicotinic acetylcholine receptor subunits" "CHEMBL" "=" "Tclin" "Homo sapiens" "nicotine" 1920 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 5 "EC50" "Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by patch clamp electrophysiology method" "CHEMBL" "=" "Mus musculus" "nicotine" 1920 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q62897" "Kcnd3" "KCND3_RAT" 7.4 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "nicotine" 1920 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 5 "EC50" "Agonist activity at mouse TRPA1 expressed in CHO cells assessed as increase in calcium influx by patch clamp electrophysiology method" "CHEMBL" "=" "Mus musculus" "nifedipine" 1922 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.089 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "nifedipine" 1922 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 4.65 "Ki" "Binding affinity for HA-tagged mutant human Adenosine A2A receptor (V84L), using [3H]CGS-21680 as radioligand expressed in COS-7 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.26 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.495 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.019 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.348 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.08 "Ki" "Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "nifedipine" 1922 "Glutathione reductase, mitochondrial" "Enzyme" "P00390" "GSR" "GSHR_HUMAN" 4.76 "Ki" "Competitive inhibition of human erythrocyte Glutathione reductase using GSSG substrate by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.658 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.48 "IC50" "GRAC: human Glycine receptor subunit alpha-1 selective antagonist" "CHEMBL" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" 7.7 "IC50" "Recombinant Cav1.3 calcium channel complexes expressed in tsA-cells" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193" "GATING INHIBITOR" "Tclin" "Homo sapiens" "nifedipine" 1922 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.51 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "nifedipine" 1922 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.672 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "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" "nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 1" "Ion channel" "Q09470" "KCNA1" "KCNA1_HUMAN" 4.02 "IC50" "Inhibition of Kv1.1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" 6.3 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 5.21 "IC50" "Inhibition of human Kv1.5 channel expressed in mouse L929 cells by EP voltage clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 4.355 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 5.9 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 2" "Ion channel" "P16389" "KCNA2" "KCNA2_HUMAN" 4.7 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nifedipine" 1922 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 5.69 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "nifedipine" 1922 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.731 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nifedipine" 1922 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 6.072 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Tclin" "Homo sapiens" "nifedipine" 1922 "Glycine receptor subunit alpha-3" "Ion channel" "O75311" "GLRA3" "GLRA3_HUMAN" 4.5 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "nifedipine" 1922 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.821 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "nifedipine" 1922 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.54 "Ki" "Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA." "CHEMBL" "=" "Rattus norvegicus" "nifedipine" 1922 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.4 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "Electrophorus electricus" "nifedipine" 1922 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.74 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 9 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle." "CHEMBL" "=" "Oryctolagus cuniculus" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 8.46 "Ki" "Inhibition of [3H](+)-PN200-110 binding to L-type calcium channel 1,4-DHP binding site of rat ventricular myocytes" "CHEMBL" "=" "Rattus norvegicus" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 8.92 "Ki" "Binding affinity for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates." "CHEMBL" "=" "Rattus norvegicus" "nifedipine" 1922 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.92 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "Equus caballus" "nifedipine" 1922 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.82 "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" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "O35505" "CACNA1C" "CAC1C_CAVPO" 8.59 "IC50" "Antagonist activity at Cavia porcellus albino (guinea pig) calcium channel assessed as inhibition of KCl-induced ileal longitudinal smooth muscle contraction" "CHEMBL" "=" "Cavia porcellus" "nifedipine" 1922 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.43 "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" "nifedipine" 1922 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 8.33 "Ki" "Inhibition of [3H]nitrendipine binding to L-type calcium channel from rat brain cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "nifedipine" 1922 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.34 "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" "nifedipine" 1922 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.34 "IC50" "CHEMBL" "=" "Rattus norvegicus" "nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.9 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 1" "Ion channel" "P16388" "Kcna1" "KCNA1_MOUSE" 4 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "nifedipine" 1922 "Potassium voltage-gated channel subfamily A member 2" "Ion channel" "P63142" "Kcna2" "KCNA2_RAT" 4.7 "Kd" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "nifedipine" 1922 "Potassium channel subfamily K member 2" "Ion channel" "Q8HY88" "Kcnk2" "Q8HY88_BOVIN" 5.09 "IC50" "Activation of bovine TREK1 expressed in AZT cells assessed as reduction in channel currents" "CHEMBL" "=" "Bos taurus" "nifedipine" 1922 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 9.4 "Kd" "Displacement of [3H]nitrendipine from dihydropyridine receptor of guinea pig myocardial membranes" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17276408" "BLOCKER" "Tclin" "Homo sapiens" "nifekalant" 1923 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "nifekalant" 1923 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.99 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nifekalant" 1923 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.19 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "nifekalant" 1923 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.57 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "niflumic acid" 1925 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.037 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "niflumic acid" 1925 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.973 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "niflumic acid" 1925 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 4.77 "IC50" "Inhibition of human recombinant DHODH" "CHEMBL" "=" "Tclin" "Homo sapiens" "niflumic acid" 1925 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 6.59 "Kd" "CHEMBL" "=" "Tclin" "Homo sapiens" "niflumic acid" 1925 "Chloride channel protein ClC-Ka" "Ion channel" "P51800" "CLCNKA" "CLCKA_HUMAN" 5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tbio" "Homo sapiens" "niflumic acid" 1925 "Potassium channel subfamily T member 2" "Ion channel" "Q6UVM3" "KCNT2" "KCNT2_HUMAN" 8.68 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tbio" "Homo sapiens" "niflumic acid" 1925 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.44 "Ki" "Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "niflumic acid" 1925 "Chloride channel protein ClC-Kb" "Ion channel" "P51801" "CLCNKB" "CLCKB_HUMAN" 5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tbio" "Homo sapiens" "niflumic acid" 1925 "Transcriptional enhancer factor TEF-3" "Transcription factor" "Q15561" "TEAD4" "TEAD4_HUMAN" 4.55 "Kd" "Binding affinity to human His-tagged TEAD4 YBD (217 to 434 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by ITC assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "nifuroxazide" 1928 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 5.52 "EC50" "Inhibition of STAT3 expressed in human U3A cells after 1 hr by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.39 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.53 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.35 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 6.42 "IC50" "Inhibition of full length human His6/GST-tagged NQO2 expressed in Escherichia coli Tuner(DE3)pLysS using menadione as substrate and CCHP as co-substrate preincubated with enzyme followed by substrate addition by MTT dye based continuous spectrophotometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.38 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.52 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.8 "Kd" "Binding affinity to human PDGFRbeata" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8.44 "Kd" "Binding affinity to human ABL1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL255863" "INHIBITOR" "Tclin" "Homo sapiens" "nilotinib" 1932 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.77 "Kd" "Binding affinity to human c-Kit" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.26 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.83 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.72 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.33 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.96 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.8 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 6.64 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 5.41 "Kd" "Binding constant for RAF1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 6.24 "Kd" "Binding constant for BRAF(V600E) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 4.4 "Kd" "Binding affinity to human FLT3" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.06 "Kd" "Binding constant for RET kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.35 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.13 "Kd" "Binding affinity to human PDGFRalpha" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.387 "Ki" "PDSP" "Tclin" "Homo sapiens" "nilotinib" 1932 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 6.35 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.41 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.35 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.34 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.7 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.069 "Ki" "PDSP" "Tclin" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.62 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 6 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 7.43 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 7 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5.318 "Ki" "PDSP" "Tchem" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.65 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.096 "Ki" "PDSP" "Tclin" "Homo sapiens" "nilotinib" 1932 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.17 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 7.59 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Mitogen-activated protein kinase 11" "Kinase" "Q15759" "MAPK11" "MK11_HUMAN" 7.44 "Kd" "Binding constant for p38-beta kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 5.72 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 6.48 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.141 "Ki" "PDSP" "Tclin" "Homo sapiens" "nilotinib" 1932 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.19 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.49 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 6.96 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.34 "Kd" "Binding constant for p38-alpha kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 7.07 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 5.68 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.89 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.15 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.24 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 8.96 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 6.14 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.33 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "nilotinib" 1932 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.1 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "nilotinib" 1932 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.31 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 6.19 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 7.96 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 6.22 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nilotinib" 1932 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.44 "Kd" "Binding constant for TNNI3K kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 8.22 "Kd" "Binding affinity to wild type DDR2 (unknown origin) by FLiK assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 6.05 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.3 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Serine/threonine-protein kinase MRCK beta" "Kinase" "Q9Y5S2" "CDC42BPB" "MRCKB_HUMAN" 6.04 "Kd" "Binding constant for MRCKB kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nilotinib" 1932 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 6.23 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Ephrin type-B receptor 3" "Kinase" "P54753" "EPHB3" "EPHB3_HUMAN" 6 "Kd" "Binding constant for EPHB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.3 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.33 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nilotinib" 1932 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.77 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nilotinib" 1932 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 5.06 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nilotinib" 1932 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.72 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nilotinib" 1932 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.1 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "Plasmodium falciparum" "nilotinib" 1932 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 9.48 "IC50" "Inhibition of Bcr-Abl kinase (unknown origin) after 30 mins by HTRF assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nilutamide" 1933 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.05 "IC50" "Inhibition of 1.0 nM [3H]mibolerone binding to human androgen receptor of PC3/AR cell lysate" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1274" "ANTAGONIST" "Tclin" "Homo sapiens" "nilvadipine" 1934 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "nilvadipine" 1934 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "nilvadipine" 1934 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "nilvadipine" 1934 "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/7898101" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nimesulide" 1935 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.91 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nimesulide" 1935 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.42 "IC50" "Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionophore A-23187-stimulated platelet aggregation by measuring TXB2 production" "CHEMBL" "=" "Tclin" "Homo sapiens" "nimesulide" 1935 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.927 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nimesulide" 1935 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.57 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nimesulide" 1935 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 5.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nimesulide" 1935 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.68 "IC50" "Inhibition of recombinant human myeloperoxidase" "CHEMBL" "=" "Tchem" "Homo sapiens" "nimesulide" 1935 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.632 "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" "nimesulide" 1935 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.21 "IC50" "Inhibition of ovine COX1 assessed as PGF2alpha level by EIA" "CHEMBL" "=" "Ovis aries" "nimesulide" 1935 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.4 "IC50" "Inhibition of ovine COX2 assessed as PGF2alpha level by EIA" "CHEMBL" "=" "Ovis aries" "nimesulide" 1935 "Sodium-dependent neutral amino acid transporter B(0)AT1" "Transporter" "Q2A865" "Slc6a19" "S6A19_RAT" 4.64 "IC50" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "nimesulide" 1935 "Dipeptidyl peptidase 3" "Enzyme" "L8I2E6" "" "L8I2E6_9CETA" 4.16 "Ki" "Mixed type inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate preincubated for 10 min by Cornish-Bowden plot analysis" "CHEMBL" "=" "Bos mutus" "nimodipine" 1937 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 6.364 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "nimodipine" 1937 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.863 "Ki" "DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nimodipine" 1937 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nimodipine" 1937 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.072 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "nimodipine" 1937 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 6.41 "EC50" "Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nimodipine" 1937 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "nimodipine" 1937 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.8 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "BLOCKER" "Tclin" "Homo sapiens" "nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1428" "BLOCKER" "Tclin" "Homo sapiens" "nimodipine" 1937 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nimodipine" 1937 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.252 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" 6 "IC50" "IUPHAR" "~" "GATING INHIBITOR" "Tclin" "Homo sapiens" "nimodipine" 1937 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.398 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nimodipine" 1937 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.05 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "~" "GATING INHIBITOR" "Tclin" "Homo sapiens" "nimodipine" 1937 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.7 "Ki" "Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "nimodipine" 1937 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.35 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 6.8 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "nimodipine" 1937 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "P27732" "Cacna1d" "CAC1D_RAT" 6.6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "nisoldipine" 1942 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.642 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nisoldipine" 1942 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.638 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nisoldipine" 1942 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "O00555" "CACNA1A" "CAC1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "nisoldipine" 1942 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.395 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 7.1 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1726" "GATING INHIBITOR" "Tclin" "Homo sapiens" "nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q01668" "CACNA1D" "CAC1D_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1726" "BLOCKER" "Tclin" "Homo sapiens" "nisoldipine" 1942 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.337 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nisoldipine" 1942 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "nisoldipine" 1942 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.59 "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" "nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q01815" "Cacna1c" "CAC1C_MOUSE" 8 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "nisoldipine" 1942 "Voltage-dependent L-type calcium channel subunit alpha-1D" "Ion channel" "Q99246" "Cacna1d" "CAC1D_MOUSE" 7 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "nitazoxanide" 1943 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.09 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "nitazoxanide" 1943 "Pyruvate dehydrogenase [NADP(+)]" "Enzyme" "Q968X7" "PFOR" "PNO_CRYPV" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1401" "INHIBITOR" "Cryptosporidium parvum" "nitazoxanide" 1943 "Pyruvate:ferredoxin oxidoreductase" "Enzyme" "Q24982" "Q24982_GIAIN" "Mechanism of Action; CHEMBL2364027; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1401" "INHIBITOR" "Giardia intestinalis" "nitazoxanide" 1943 "Pyruvate-flavodoxin oxidoreductase" "Enzyme" "Q0P8E1" "" "Q0P8E1_CAMJE" 4.98 "Ki" "Inhibition of PFOR Campylobacter jejuni" "CHEMBL" "=" "Campylobacter jejuni subsp. jejuni serotype O:2" "nitisinone" 1944 "4-hydroxyphenylpyruvate dioxygenase" "Enzyme" "P32754" "HPD" "HPPD_HUMAN" 7.398 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1337" "INHIBITOR" "Tclin" "Homo sapiens" "nitisinone" 1944 "4-hydroxyphenylpyruvate dioxygenase" "Enzyme" "Q02110" "HPD" "HPPD_PIG" 7.4 "IC50" "Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method" "CHEMBL" "=" "Sus scrofa" "nitisinone" 1944 "4-hydroxyphenylpyruvate dioxygenase" "Unclassified" "P32755" "Hpd" "HPPD_RAT" 7.4 "IC50" "Inhibition of Wistar rat liver cytosol HPPD using HPP as substrate assessed as reduction in O2 consumption" "CHEMBL" "=" "Rattus norvegicus" "nitrazepam" 1945 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D00531" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nitrazepam" 1945 "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" 7.42 "IC50" "Inhibition of [3H]flunitrazepam binding to GABA-A central Benzodiazepine receptor of bovine brain membranes" "CHEMBL" "=" "Bos taurus" "nitrendipine" 1947 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "nitrendipine" 1947 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.081 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "nitrendipine" 1947 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 7.6 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "nitrendipine" 1947 "Voltage-dependent calcium channel gamma-1 subunit" "Ion channel" "Q06432" "CACNG1" "CCG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "nitrendipine" 1947 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 5.921 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nitrendipine" 1947 "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" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2334" "GATING INHIBITOR" "Tclin" "Homo sapiens" "nitrendipine" 1947 "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" "nitrendipine" 1947 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.056 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nitrendipine" 1947 "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" "nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1F" "Ion channel" "O60840" "CACNA1F" "CAC1F_HUMAN" 6 "IC50" "IUPHAR" "~" "GATING INHIBITOR" "Tclin" "Homo sapiens" "nitrendipine" 1947 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.05 "Ki" "Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "nitrendipine" 1947 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 4.64 "Ki" "Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q02485" "Cacna1s" "CAC1S_RAT" 6 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "nitrendipine" 1947 "Platelet-activating factor receptor" "GPCR" "P21556" "PTAFR" "PTAFR_CAVPO" 4.13 "Ki" "Tested for inhibition of [3H]PAF binding to rabbit Platelet activating factor receptor " "CHEMBL" "=" "Cavia porcellus" "nitrendipine" 1947 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.44 "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" "nitrendipine" 1947 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 9.6 "Ki" "Inhibition of [3H]nitrendipine binding to L-type calcium channel dihydropyridine site of porcine cardiac sarcolemma membrane vesicles" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17276408" "BLOCKER" "Tclin" "Homo sapiens" "nitric oxide" 1948 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3" "GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200689" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nitrofurantoin" 1949 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "nitrofurantoin" 1949 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 6.09 "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" "nitrofurazone" 1950 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "nitrofurazone" 1950 "Snake venom metalloproteinase Bap1" "Enzyme" "P83512" "VM1B1_BOTAS" 4.06 "IC50" "Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectrophotometry" "CHEMBL" "=" "Bothrops asper" "glyceryl trinitrate" 1952 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "glyceryl trinitrate" 1952 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3" "GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL730" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "nitroxoline" 1954 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6 "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" "nitroxoline" 1954 "Cathepsin B" "Enzyme" "P07858" "CTSB" "CATB_HUMAN" 4.4 "Ki" "Mixed inhibition of cathepsin B (unknown origin) endopeptidase activity assessed as inhibition constant for enzyme-substrate-inhibitor complex" "CHEMBL" "=" "Tchem" "Homo sapiens" "nitroxoline" 1954 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 7.26 "IC50" "Inhibition of human methionine aminopeptidase 2" "CHEMBL" "=" "Tchem" "Homo sapiens" "nitroxoline" 1954 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.7 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "nitroxoline" 1954 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 6.01 "IC50" "Inhibition of BRD4 in human MV4-11 cells using biotin labelled N-C:SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by alpha screen assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nitroxoline" 1954 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 6.01 "IC50" "Inhibition of BRD4 in human MV4-11 cells using biotin labelled N-C:SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K as substrate preincubated for 15 mins followed by substrate addition measured after 5 mins by alpha screen assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nizatidine" 1955 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.92 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL653" "ANTAGONIST" "Tclin" "Homo sapiens" "nizatidine" 1955 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.251 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nomifensine" 1958 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.85 "Ki" "Inhibition of human recombinant SERT expressed in HEK cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "nomifensine" 1958 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.67 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4792" "INHIBITOR" "Tclin" "Homo sapiens" "nomifensine" 1958 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.93 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nomifensine" 1958 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.57 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nomifensine" 1958 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.31 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4792" "INHIBITOR" "Tclin" "Homo sapiens" "nomifensine" 1958 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 2.947 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nomifensine" 1958 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 3.963 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "nomifensine" 1958 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 6.06 "Ki" "Inhibition of serotonin (5-HT) uptake into rat brain synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "nomifensine" 1958 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.59 "Ki" "Inhibition of DAT in rat synaptosomal membrane" "CHEMBL" "=" "Rattus norvegicus" "nomifensine" 1958 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 8.42 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "nomifensine" 1958 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 8.4 "Ki" "Inhibition of NET in rat synaptosomal membrane" "CHEMBL" "=" "Rattus norvegicus" "nomifensine" 1958 "Hemoglobin HbA" "Enzyme" "P68871|P69905" "HBB|HBA1" "HBB_HUMAN|HBA_HUMAN" 4.678 "Km" "WOMBAT-PK" "=" "Tbio|Tbio|Tbio|Tbio" "Homo sapiens" "norelgestromin" 1959 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200807" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356607" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.4 "Kd" "Binding affinity to human adrenergic beta2 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356607" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.3 "Kd" "Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "norepinephrine" 1960 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.89 "Ki" "Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.18 "Ki" "Binding affinity for human Alpha-2A adrenergic receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356607" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.82 "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/CHEMBL1356607" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.48 "Ki" "PDSP" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.367 "Ki" "PDSP" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.2 "Ki" "Binding affinity for human Alpha-2C adrenergic receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356607" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.071 "Ki" "PDSP" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.4 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356607" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 4.69 "Ki" "Displacement of [3H]prazosin from human adrenergic Alpha-1B receptor expressed in CHO cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1356607" "AGONIST" "Tclin" "Homo sapiens" "norepinephrine" 1960 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 7.11 "Ki" "Binding affinity for rat Alpha-2B adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 4.85 "Ki" "Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library" "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.22 "Ki" "Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand" "CHEMBL" "=" "Bos taurus" "norepinephrine" 1960 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 6.9 "Ki" "Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 5.3 "Ki" "Binding of [3H]dihydroalprenolol to beta-2 adrenergic receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Canis familiaris" "norepinephrine" 1960 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.35 "Ki" "CHEMBL" "=" "Bos taurus" "norepinephrine" 1960 "Beta-2 adrenergic receptor" "GPCR" "P10608" "Adrb2" "ADRB2_RAT" 5.38 "Ki" "Binding affinity against adrenergic beta 2 receptor versus 1 nM [3H]dihydroalprenolol in rat cerebral cerebellar membranes" "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 6.58 "Ki" "CHEMBL" "=" "Mesocricetus auratus" "norepinephrine" 1960 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 6.4 "Ki" "Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol" "CHEMBL" "=" "Cavia porcellus" "norepinephrine" 1960 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.32 "Ki" "Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.41 "Ki" "Binding affinity for alpha-1 adrenergic receptor in rat liver using [3H]prazosin." "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1b|Adra2b|Adra2c|Adra2a|Adra1d|Adra1a" "ADA1B_RAT|ADA2B_RAT|ADA2C_RAT|ADA2A_RAT|ADA1D_RAT|ADA1A_RAT" 7.8 "IC50" "Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate" "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb2|Adrb1|Adrb3" "ADRB2_RAT|ADRB1_RAT|ADRB3_RAT" 6 "IC50" "Inhibitory concentration required for displacement of Beta adrenergic receptor specific ligand [3H]dihydroalprenolol from rat brain cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "norepinephrine" 1960 "Alpha-2C adrenergic receptor" "GPCR" "Q01337" "Adra2c" "ADA2C_MOUSE" 6.19 "Ki" "Binding affinity to mouse alpha-2C receptor expressed in COS7 cells" "CHEMBL" "=" "Mus musculus" "norepinephrine" 1960 "Alpha-2A adrenergic receptor" "GPCR" "Q01338" "Adra2a" "ADA2A_MOUSE" 5.24 "Ki" "Binding affinity to mouse alpha-2A receptor expressed in COS7 cells" "CHEMBL" "=" "Mus musculus" "norethisterone" 1962 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.618 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "norethisterone" 1962 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.706 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "norethisterone" 1962 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.636 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "norethisterone" 1962 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.12 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norethisterone" 1962 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 11.26 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "AGONIST" "Tclin" "Homo sapiens" "norethisterone" 1962 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.97 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "norethisterone" 1962 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.92 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "norethisterone" 1962 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.914 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "norethisterone" 1962 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 9.2 "Kd" "Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol" "CHEMBL" "=" "Rattus norvegicus" "norethindrone acetate" 1963 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.62 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "norethindrone acetate" 1963 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.533 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "norethindrone acetate" 1963 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.64 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "CHEMBL" "=" "Tclin" "Homo sapiens" "norethindrone acetate" 1963 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.12 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norethindrone acetate" 1963 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 11.26 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1162" "AGONIST" "Tclin" "Homo sapiens" "norethindrone acetate" 1963 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "norethindrone acetate" 1963 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.97 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "norethindrone acetate" 1963 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.149 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "norethindrone acetate" 1963 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.441 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "norethynodrel" 1965 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "Mechanism of Action; CHEMBL208; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1387" "AGONIST" "Tclin" "Homo sapiens" "norethynodrel" 1965 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.81 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P31644" "GABRA5" "GBRA5_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norfloxacin" 1967 "DNA topoisomerase 4 subunit A" "Enzyme" "P0AFI2" "parC" "PARC_ECOLI" 5.29 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "INHIBITOR" "Escherichia coli (strain K12)" "norfloxacin" 1967 "DNA topoisomerase 4 subunit A" "Enzyme" "P0C1U9" "parC" "PARC_STAAU" 5.46 "IC50" "Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213" "CHEMBL" "=" "Staphylococcus aureus" "norfloxacin" 1967 "DNA gyrase subunit A" "Enzyme" "P9WG47" "gyrA" "GYRA_MYCTU" 4.28 "IC50" "Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "norfloxacin" 1967 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 6.05 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL33" "INHIBITOR" "Escherichia coli (strain K12)" "norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norfloxacin" 1967 "Gamma-aminobutyric acid receptor subunit alpha-6" "Ion channel" "Q16445" "GABRA6" "GBRA6_HUMAN" 6.29 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "norfloxacin" 1967 "DNA topoisomerase 2-beta" "Enzyme" "Q02880" "TOP2B" "TOP2B_HUMAN" 6.22 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "norfloxacin" 1967 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.75 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "norfloxacin" 1967 "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" 7.7 "IC50" "Inhibition of [3H]muscimol binding to GABA A receptor 4-biphenylacetic acid at 10 e-4 M" "CHEMBL" "=" "Rattus norvegicus" "norfloxacin" 1967 "Multidrug resistance protein mdtK" "Unclassified" "P37340" "mdtK" "MDTK_ECOLI" 4.01 "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)" "norgestimate" 1968 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200934" "AGONIST" "Tclin" "Homo sapiens" "norgestimate" 1968 "Short transient receptor potential channel 3" "Ion channel" "Q13507" "TRPC3" "TRPC3_HUMAN" 5.52 "Ki" "Norgestimate-induced inhibition of hTRPC3-mediated Ca2+ entry in transfected CHO cells stimulated with the OAG diacylglycerol analog." "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "norgestimate" 1968 "Short transient receptor potential channel 6" "Ion channel" "Q9Y210" "TRPC6" "TRPC6_HUMAN" 5.28 "IC50" "Norgestimate-induced inhibition of hTRPC6-mediated Ca2+ entry in transfected HEK-FITR cells stimulated with the OAG diacylglycerol analog." "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "nortriptyline" 1971 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.57 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.59 "Ki" "PDSP" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.561 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.34 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "INHIBITOR" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 8.36 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL445" "INHIBITOR" "Tclin" "Homo sapiens" "nortriptyline" 1971 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.509 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.356 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.066 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.67 "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" "nortriptyline" 1971 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.26 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.215 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.033 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.639 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.398 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.959 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.076 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.013 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.071 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "nortriptyline" 1971 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.523 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.921 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.225 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.91 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "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" "nortriptyline" 1971 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.82 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "nortriptyline" 1971 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.943 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "nortriptyline" 1971 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.837 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "nortriptyline" 1971 "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" "nortriptyline" 1971 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.73 "IC50" "CHEMBL" "=" "Rattus norvegicus" "nortriptyline" 1971 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 10.3 "IC50" "Compound tested for its inhibitory activity against Histamine H1 receptor" "CHEMBL" "=" "Rattus norvegicus" "nortriptyline" 1971 "ATP-sensitive inward rectifier potassium channel 10" "Ion channel" "P78508" "KCNJ10" "KCJ10_HUMAN" 4.796 "IC50" "inhibition at +30 mV" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17071817" "BLOCKER" "Tbio" "Homo sapiens" "noscapine" 1973 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.087 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "noscapine" 1973 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.398 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "noscapine" 1973 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.59 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "noscapine" 1973 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.46 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "novobiocin" 1974 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.18 "IC50" "Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "P0AES6" "gyrB" "GYRB_ECOLI" 6.81 "IC50" "Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay" "CHEMBL" "=" "Escherichia coli (strain K12)" "novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "P0A4L9" "gyrB" "GYRB_STRPN" 7.43 "IC50" "Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay" "CHEMBL" "=" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "novobiocin" 1974 "ParE" "Enzyme" "Q7X1P7" "parE" "Q7X1P7_STREE" 5.69 "IC50" "Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins" "CHEMBL" "=" "Streptococcus pneumoniae" "novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "C3SLN2" "gyrB" "C3SLN2_ECOLX" 7.55 "Kd" "Binding affinity to Escherichia coli GyrB" "CHEMBL" "=" "Escherichia coli" "novobiocin" 1974 "DNA gyrase" "Enzyme" "P0AES4|P0AES6" "gyrA|gyrB" "GYRA_ECOLI|GYRB_ECOLI" 7 "IC50" "Inhibition of reconstituted Escherichia coli DNA gyrase subunit AB assessed as reduction of DNA supercoiling activity using pBR322 DNA substrate" "CHEMBL" "=" "Escherichia coli (strain K12)" "novobiocin" 1974 "DNA gyrase" "Enzyme" "Q5HK03|Q5HK04" "gyrB|gyrA" "GYRB_STAEQ|GYRA_STAEQ" "Mechanism of Action; CHEMBL2331040; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL36506" "INHIBITOR" "Staphylococcus epidermidis (strain ATCC 35984 / RP62A)" "novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "P0C559" "gyrB" "GYRB_MYCSM" 6.7 "IC50" "Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) after 2 hrs" "CHEMBL" "=" "Mycobacterium smegmatis" "novobiocin" 1974 "DNA gyrase subunit B" "Enzyme" "P0A0K8" "gyrB" "GYRB_STAAU" 6.9 "IC50" "CHEMBL" "=" "Staphylococcus aureus" "novobiocin" 1974 "DNULL gyrase subunit B" "Enzyme" "A0QNE0" "gyrB" "GYRB_MYCS2" 7.34 "IC50" "Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as inorganic phosphate release after 120 mins in presence of ATP by malachite green dye based assay" "CHEMBL" "=" "Mycolicibacterium smegmatis" "novobiocin" 1974 "DNULL gyrase subunit B" "Enzyme" "C3SLN3" "gyrB" "C3SLN3_ECOLX" 8.15 "Ki" "Inhibition of Escherichia coli H560 DNA gyrase B ATPase activity after 30 mins by ammonium molybdate/malachite green-based phosphate detection assay" "CHEMBL" "=" "Escherichia coli" "buphenine" 1976 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1D|ADRA1A|ADRA1B" "ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" 6.21 "Kd" "In vitro blocking activity against alpha adrenergic receptor, isolated from rabbit aortic strip" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "octreotide" 1980 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.921 "Ki" "PDSP" "Tclin" "Homo sapiens" "octreotide" 1980 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 10.699 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" "octreotide" 1980 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" "octreotide" 1980 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 8.523 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" "octreotide" 1980 "Somatostatin receptor type 2" "GPCR" "P30875" "Sstr2" "SSR2_MOUSE" 9.55 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b" "CHEMBL" "=" "Mus musculus" "octreotide" 1980 "Somatostatin receptor type 3" "GPCR" "P30935" "Sstr3" "SSR3_MOUSE" 8.52 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3" "CHEMBL" "=" "Mus musculus" "octreotide" 1980 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 6.4 "Ki" "Displacement of [125I]-somatostatin from human sst4 receptor after 2 hrs by beta scintillation counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" "octreotide" 1980 "Somatostatin receptor type 5" "GPCR" "P30938" "Sstr5" "SSR5_RAT" 8.98 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5" "CHEMBL" "=" "Rattus norvegicus" "octreotide" 1980 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 6.65 "Ki" "Displacement of [125I]-somatostatin from human sst1 receptor after 2 hrs by beta scintillation counting analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1680" "AGONIST" "Tclin" "Homo sapiens" "octreotide" 1980 "Somatostatin receptor type 2" "GPCR" "P30680" "Sstr2" "SSR2_RAT" 8.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "octreotide" 1980 "Somatostatin receptor type 3" "GPCR" "P30936" "Sstr3" "SSR3_RAT" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "octreotide" 1980 "Somatostatin receptor type 5" "GPCR" "O08858" "Sstr5" "SSR5_MOUSE" 9.9 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "ofloxacin" 1981 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 4.23 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ofloxacin" 1981 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.54 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ofloxacin" 1981 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.41 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ofloxacin" 1981 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 5.28 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL4" "INHIBITOR" "Escherichia coli (strain K12)" "ofloxacin" 1981 "DNA gyrase subunit B" "Enzyme" "P0AES7" "gyrB" "GYRB_ECO57" "WOMBAT-PK" "Escherichia coli O157:H7" "ofloxacin" 1981 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 4.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ofloxacin" 1981 "Gag-Pro-Pol polyprotein" "Polyprotein" "P03362" "gag-pro-pol" "POL_HTL1A" 4.82 "IC50" "WOMBAT-PK" "=" "Human T-cell leukemia virus 1 (strain Japan ATK-1 subtype A)" "ofloxacin" 1981 "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" 4.96 "IC50" "Inhibition of [3H]muscimol binding to GABA A receptor 4-biphenylacetic acid at 10 e-4 M" "CHEMBL" "=" "Rattus norvegicus" "ofloxacin" 1981 "CAAX prenyl protease 1" "Enzyme" "P47154" "STE24" "STE24_YEAST" 5.71 "AC50" "Active" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "ofloxacin" 1981 "Trypsin" "Enzyme" "P00761" "TRYP_PIG" 5.03 "AC50" "Active" "CHEMBL" "=" "Sus scrofa" "olanzapine" 1982 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "olanzapine" 1982 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "olanzapine" 1982 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.398 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.523 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "ANTAGONIST" "Tclin" "Homo sapiens" "olanzapine" 1982 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.492 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.74 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.26 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.9 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.319 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL715" "ANTAGONIST" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.921 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.959 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.097 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.979 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.721 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.086 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.097 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "olanzapine" 1982 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.046 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "olanzapine" 1982 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.155 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.356 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.506 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.102 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.136 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.682 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.046 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.222 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.233 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.121 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.538 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.796 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "olanzapine" 1982 "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" "olanzapine" 1982 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.695 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.582 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.916 "Ki" "PDSP" "Tchem" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.509 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "olanzapine" 1982 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.7 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "olanzapine" 1982 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.558 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "olanzapine" 1982 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.678 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "olanzapine" 1982 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.364 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "olanzapine" 1982 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.19 "IC50" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.2 "Ki" "CHEMBL" "=" "Cavia porcellus" "olanzapine" 1982 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 7.66 "Ki" "Half-maximal inhibition of [3H]QNB binding to Muscarinic acetylcholine receptor M1 in rat frontal cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.9 "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" "olanzapine" 1982 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.21 "Ki" "Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.4 "Ki" "Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.02 "Ki" "Inhibition of [3H]nisoxetine binding to rat Norepinephrine transporter" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "olanzapine" 1982 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.7 "Ki" "Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 9.52 "Ki" "Half-maximal inhibition of [3H]7-OH-DPAT binding to Histamine H1 receptor in rat tissue homogenate" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.41 "Ki" "Half-maximal inhibition of [3H]-spiperone binding to Dopamine receptor D3 in rat tissue homogenate" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 7.3 "Ki" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "olanzapine" 1982 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 5.7 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.54 "Ki" "Half-maximal inhibition of [3H]clonidine binding to Alpha-2 adrenergic receptor in rat frontal cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 7.92 "Ki" "Binding affinity which represents concentration giving half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor rat tissue homogenate" "CHEMBL" "=" "Rattus norvegicus" "olanzapine" 1982 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 6.43 "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" "olanzapine" 1982 "Histone H1.0" "Nuclear other" "P07305" "H1F0" "H10_HUMAN" 8.7 "Ki" "Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors." "CHEMBL" "=" "Homo sapiens" "olmesartan medoxomil" 1985 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 8.1 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200692" "ANTAGONIST" "Tclin" "Homo sapiens" "olmesartan medoxomil" 1985 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 8.09 "IC50" "CHEMBL" "=" "Bos taurus" "olopatadine" 1986 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.284 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1189432" "ANTAGONIST" "Tclin" "Homo sapiens" "olopatadine" 1986 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.8 "Ki" "Binding affinity for histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand at 0.1 uM" "CHEMBL" "=" "Cavia porcellus" "olprinone" 1987 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9726653" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "olsalazine" 1988 "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/CHEMBL1201013" "INHIBITOR" "Tclin" "Homo sapiens" "olsalazine" 1988 "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/CHEMBL1201013" "AGONIST" "Tclin" "Homo sapiens" "olsalazine" 1988 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201013" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "omapatrilat" 1989 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.22 "Ki" "Inhibition of human somatic ACE C-terminal domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "omapatrilat" 1989 "Neprilysin" "Enzyme" "P08473" "MME" "NEP_HUMAN" 8.05 "Ki" "Inhibition of human somatic NEP" "CHEMBL" "=" "Tclin" "Homo sapiens" "omapatrilat" 1989 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.3 "IC50" "In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL) as the substrate" "CHEMBL" "=" "Oryctolagus cuniculus" "omapatrilat" 1989 "Neprilysin" "Enzyme" "P07861" "Mme" "NEP_RAT" 8.1 "IC50" "In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substrate" "CHEMBL" "=" "Rattus norvegicus" "omapatrilat" 1989 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 6.7 "IC50" "Inhibition of APP (unknown origin)" "CHEMBL" "=" "Homo sapiens" "omapatrilat" 1989 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 6.7 "IC50" "Inhibition of APP (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.31 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "omeprazole" 1990 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.051 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.347 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.74 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.301 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.47 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" 5.7 "IC50" "In vitro inhibitory activity against H+/K+ ATPase prepared from canine fundic mucosa" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1503" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "omeprazole" 1990 "Potassium-transporting ATPase" "Enzyme" "P18434|P19156" "ATP4B|ATP4A" "ATP4B_PIG|ATP4A_PIG" 5.42 "IC50" "In vitro inhibition against H+/K+ ATPase from porcine gastric mucosal membrane vesicles" "CHEMBL" "=" "Sus scrofa" "omeprazole" 1990 "N(G),N(G)-dimethylarginine dimethylaminohydrolase 1" "Enzyme" "O94760" "DDAH1" "DDAH1_HUMAN" 4.7 "IC50" "Inhibition of recombinant human DDAH1 expressed in Escherichia coli BL21 Star (DE3) using ADMA as substrate assessed as decrease in citrulline production after 4 hrs by colorimetric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Glutathione S-transferase omega-1" "Unclassified" "P78417" "GSTO1" "GSTO1_HUMAN" 5.34 "IC50" "Inhibition of GSTO1-1 (unknown origin) by enzymatic assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Cytosolic endo-beta-N-acetylglucosaminidase" "Enzyme" "Q8NFI3" "ENGASE" "ENASE_HUMAN" 4.6 "IC50" "Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreated for 15 mins followed by substrate addition after 90 mins by SDS-PAGE analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "omeprazole" 1990 "Potassium-transporting ATPase" "Enzyme" "P18597|P27112" "ATP4B|ATP4A" "ATP4B_RABIT|ATP4A_RABIT" 6.155 "IC50" "[14C]AP accumulation as an indicator of acid secretion in rabbit isolated fundic glands" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/2164086" "Oryctolagus cuniculus" "ondansetron" 1992 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.091 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ondansetron" 1992 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.341 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ondansetron" 1992 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.678 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "ondansetron" 1992 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46" "ANTAGONIST" "Tclin" "Homo sapiens" "ondansetron" 1992 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.69 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "ondansetron" 1992 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.43 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 1B receptor using [3H]- serotonin as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 5.54 "Ki" "The binding affinity was measured on mu-opiate receptor using [3H]- naloxone as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 5 "Ki" "The binding affinity was measured on muscarine M1 receptor using [3H]- pirenzepine as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 6.17 "Ki" "The binding affinity was measured on cholecystokinin type B receptor using [3H]- CCK-8 as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.17 "Ki" "The binding affinity was measured on sigma receptor using [3H]- (+)-3-PPP as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 4.6 "IC50" "Inhibition of the response to ACh when coapplied with Nicotinic acetylcholine receptor alpha7" "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 5.3 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 1C receptor using [3H]- serotonin as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 5.92 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 4 receptor using [3H]- GR-113808 as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "5-hydroxytryptamine receptor 3A" "Ion channel" "P35563" "Htr3a" "5HT3A_RAT" 9.11 "Ki" "Displacement of [3H]LY 278584 from 5-HT3 receptor in Sprague-Dawley rat cerebral cortex after 30 mins" "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 4.7 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 1D receptor using [3H]- serotonin as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.77 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ondansetron" 1992 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 7.52 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ondansetron" 1992 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 6.8 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ondansetron" 1992 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 4.76 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ondansetron" 1992 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 9.11 "Ki" "Compound was evaluated for its in vitro affinity at serotonergic 5-hydroxytryptamine 3 receptor by radioligand binding assay, using [3H]-LY 278584 in rat cerebral cortex membranes." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 4.34 "Ki" "In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ondansetron" 1992 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 5 "Ki" "The binding affinity was measured on 5-hydroxytryptamine 2 receptor using [3H]- spiperone as radioligand." "CHEMBL" "=" "Rattus norvegicus" "ondansetron" 1992 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 7.92 "Ki" "The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 radioligand (in vitro)" "CHEMBL" "=" "Mus musculus" "ondansetron" 1992 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 8.3 "Ki" "GRAC: human 5-HT3B selective antagonist" "CHEMBL" "=" "Tchem" "Homo sapiens" "opipramol" 1993 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9.7 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "opipramol" 1993 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.89 "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" "opipramol" 1993 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 7.77 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "orlistat" 1996 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.6 "Ki" "Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "orlistat" 1996 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" 7.18 "IC50" "Inhibition of recombinant human LPL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.33 "IC50" "Inhibition of human FAS thioster domain preincubated for 30 mins followed by 4-methylumbelliferyl heptanoate substrate addition measured every 5 mins for 60 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Sn1-specific diacylglycerol lipase alpha" "Enzyme" "Q9Y4D2" "DAGLA" "DGLA_HUMAN" 8 "IC50" "Inhibition of human DAGLalpha expressed in HEK293T cell membrane using [14C]SAG substrate in detergent free solution by FRET assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 8 "IC50" "Inhibition of rat histidine tagged FAAH expressed in Escherichia coli by coumarin ester substrate fluorescence assay" "CHEMBL" "=" "Rattus norvegicus" "orlistat" 1996 "Sn1-specific diacylglycerol lipase beta" "Enzyme" "Q8NCG7" "DAGLB" "DGLB_HUMAN" 7.22 "IC50" "Inhibition of human recombinant DAGLbeta overexpressed in african green monkey COS7 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Abhydrolase domain-containing protein 16A" "Enzyme" "O95870" "ABHD16A" "ABHGA_HUMAN" 7.52 "IC50" "Inhibition of recombinant BAT5 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Monoacylglycerol lipase ABHD12" "Enzyme" "Q8N2K0" "ABHD12" "ABD12_HUMAN" 7.1 "IC50" "Inhibition of recombinant ABHD12 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Platelet-activating factor acetylhydrolase" "Enzyme" "Q13093" "PLA2G7" "PAFA_HUMAN" 7.3 "IC50" "Inhibition of recombinant PLA2g7 transfected in HEK293T cells by SDS-PAGE using rhodamine-tagged FP probe" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Pancreatic triacylglycerol lipase" "Enzyme" "P00591" "PNLIP" "LIPP_PIG" 6.66 "IC50" "Inhibition of porcine pancreatic lipase using micellar solution of triolein as substrate preincubated for 5 mins before substrate addition measured after 30 mins" "CHEMBL" "=" "Sus scrofa" "orlistat" 1996 "Monoacylglycerol lipase ABHD6" "Enzyme" "Q9BV23" "ABHD6" "ABHD6_HUMAN" 7.32 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Sn1-specific diacylglycerol lipase alpha" "Enzyme" "Q6WQJ1" "Dagla" "DGLA_MOUSE" 7.7 "IC50" "Inhibition of DAGLalpha in mouse N18TG2 cells assessed as inhibition of ionomycin-induced formation of 2-AG incubated for 20 mins by LC-MS analysis" "CHEMBL" "=" "Mus musculus" "orlistat" 1996 "Lipoprotein lipase" "Enzyme" "P06858" "LPL" "LIPL_HUMAN" 7.18 "IC50" "Inhibition of recombinant human LPL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Hepatic triacylglycerol lipase" "Enzyme" "P11150" "LIPC" "LIPC_HUMAN" 8.52 "IC50" "Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Endothelial lipase" "Enzyme" "Q9Y5X9" "LIPG" "LIPE_HUMAN" 8.22 "IC50" "Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing DMPG vesicles as substrate pretreated for 20 mins followed by substrate addition and measured every 20 secs for 10 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "orlistat" 1996 "Pancreatic triacylglycerol lipase" "Enzyme" "P16233" "PNLIP" "LIPP_HUMAN" 8.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020766s035lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "orlistat" 1996 "Gastric triacylglycerol lipase" "Enzyme" "P07098" "LIPF" "LIPG_HUMAN" "Mechanism of Action; CHEMBL1796; SINGLE PROTEIN" "CHEMBL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020766s035lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.886 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.092 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.174 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.614 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.578 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "INHIBITOR" "Tclin" "Homo sapiens" "orphenadrine" 1999 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.903 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.666 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.553 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.283 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "orphenadrine" 1999 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.063 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.959 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "ANTAGONIST" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.165 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.39 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.873 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.432 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.77 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.699 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" 4.889 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 5.658 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.764 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" "orphenadrine" 1999 "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" "orphenadrine" 1999 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" 5.201 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL900" "BLOCKER" "Tclin" "Homo sapiens" "orphenadrine" 1999 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.9 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "orphenadrine" 1999 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.79 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "orphenadrine" 1999 "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" 5.22 "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" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "P06818" "NRAM_I79A0" 9.83 "IC50" "WOMBAT-PK" "=" "Influenza A virus (strain A/Bangkok/1/1979 H3N2)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "P16207" "NRAM_INBVI" 8.1 "IC50" "WOMBAT-PK" "=" "Influenza B virus (strain B/Victoria/3/1985)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03468" "NRAM_I34A1" 8.15 "IC50" "Inhibition of human Influenza A virus A/PR/8/34(H1N1) neuraminidase by fluorometric method using 4MU-NeuAc substrate" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "INHIBITOR" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03474" "NRAM_INBLE" 8.96 "Ki" "Inhibition of influenza B/Memphis/3/89 neuraminidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL674" "INHIBITOR" "Influenza B virus (strain B/Lee/1940)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "B4URF0" "B4URF0_9INFA" 10.22 "IC50" "Inhibition of Influenza Virus A/Horneburg/IDT7489/08 (H1N1) neuraminidase" "CHEMBL" "=" "Influenza A virus (A/WSN/1933(H1N1))" "oseltamivir" 2001 "Sialidase" "Enzyme" "P10481" "nanH" "NANH_CLOPF" 9 "IC50" "Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as substrate by fluorescence based assay" "CHEMBL" "=" "Clostridium perfringens" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q75VQ4" "NRAM_I68A0" 8.81 "IC50" "Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate" "CHEMBL" "=" "Influenza A virus (strain A/Aichi/2/1968 H3N2)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q6Q793" "Q6Q793_9INFA" 10 "Ki" "Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1))" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "A5Z252" "A5Z252_9INFA" 8.1 "Ki" "Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/Turkey/651242/2006(H5N1))" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q2LFS1" "Q2LFS1_9INFA" 8.31 "Ki" "Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1))" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "C4LRQ6" "C4LRQ6_9INFA" 8.96 "Ki" "Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/duck/Laos/25/2006(H5N1))" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q20MD3" "Q20MD3_9INFA" 8.54 "IC50" "CHEMBL" "=" "Influenza A virus (A/udorn/1972(H3N2))" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03470" "NRAM_I33A0" 6.32 "IC50" "CHEMBL" "=" "Influenza A virus (strain A/Wilson-Smith/1933 H1N1)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q194T1" "Q194T1_9INFA" 6.1 "IC50" "Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins" "CHEMBL" "=" "Influenza A virus (A/RI/5+/1957(H2N2))" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03469" "NRAM_I77AB" 8.86 "IC50" "CHEMBL" "=" "Influenza A virus (strain A/USSR/90/1977 H1N1)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q07599" "NRAM_I63A3" 8.05 "IC50" "Inhibition of Influenza A virus A/goose/Jiangsu/1306/2014(H5N8) neuraminidase N8 using fluorogenic MUNANA as substrate preincubated for 10 mins followed by substrate addition measured after 40 to 60 mins by fluorescence-based assay" "CHEMBL" "=" "Influenza A virus (strain A/Duck/Ukraine/1/1963 H3N8)" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "P03471" "NRAM_I71A1" 9.96 "IC50" "Inhibition of influenza A virus H3N2 clinical isolate neuraminidase using NA-Fluor MUNANA as substrate preincubated for 20 to 30 mins followed by substrate addition and measured for 60 mins by fluorescence assay" "CHEMBL" "=" "Influenza A virus" "oseltamivir" 2001 "Neuraminidase" "Enzyme" "Q6XV28" "NRAM_I77AG" 7.82 "IC50" "Inhibition of Influenza A virus A/duck/Guangdong/674/2014(H5N6) neuraminidase N6 using fluorogenic MUNANA as substrate preincubated for 10 mins followed by substrate addition measured after 40 to 60 mins by fluorescence-based assay" "CHEMBL" "=" "Influenza A virus" "oteracil" 2002 "Uridine 5'-monophosphate synthase" "Enzyme" "P11172" "UMPS" "UMPS_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8862723" "https://pubmed.ncbi.nlm.nih.gov/8862723" "INHIBITOR" "Tclin" "Homo sapiens" "ouabain" 2004 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 6.169 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "ouabain" 2004 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.009 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ouabain" 2004 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "ouabain" 2004 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 5.94 "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" "oxacillin" 2006 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.85 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxacillin" 2006 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.02 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxacillin" 2006 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "oxacillin" 2006 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 5.04 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "oxacillin" 2006 "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/CHEMBL819" "INHIBITOR" "Staphylococcus aureus" "oxametacin" 2008 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.55 "IC50" "Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thromboxane B2 production" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxametacin" 2008 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.12 "IC50" "Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophilic leukemia cells(RBL-1)" "CHEMBL" "=" "Rattus norvegicus" "oxametacin" 2008 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 5.96 "IC50" "Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophilic leukemia cells(RBL-1)" "CHEMBL" "=" "Rattus norvegicus" "oxandrolone" 2011 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200436" "AGONIST" "Tclin" "Homo sapiens" "oxaprozin" 2013 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.44 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1071" "INHIBITOR" "Tclin" "Homo sapiens" "oxaprozin" 2013 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.068 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1071" "INHIBITOR" "Tclin" "Homo sapiens" "oxaprozin" 2013 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "oxaprozin" 2013 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 5.3 "IC50" "Inhibition of sEH's phosphatase activity in vitro using bacterially-expressed recombinant N-terminal domain of sEH." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "oxaprozin" 2013 "Complement C5" "Secreted" "P01031" "C5" "CO5_HUMAN" 6.19 "Kd" "Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxaprozin" 2013 "Complement C5" "Unclassified" "P01031" "C5" "CO5_HUMAN" 6.19 "Kd" "Binding affinity to human C5a assessed as dissociation constant after 1 hr by circular dichroism analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxaprozin" 2013 "Serine hydroxymethyltransferase, mitochondrial" "Enzyme" "P34897" "SHMT2" "GLYM_HUMAN" 5.71 "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" "oxatomide" 2014 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.056 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxatomide" 2014 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.148 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxatomide" 2014 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.203 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxatomide" 2014 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.13 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxatomide" 2014 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.05 "IC50" "Inhibitory activity against Tritiated [3H]- mepyramine binding to Histamine H1 receptor in guinea pig cerebral cortex" "CHEMBL" "=" "Cavia porcellus" "oxatomide" 2014 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.699 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6200290" "ANTAGONIST" "Tclin" "Homo sapiens" "oxazepam" 2015 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 7.745 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL568" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "oxcarbazepine" 2017 "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/CHEMBL1068" "BLOCKER" "Tclin" "Homo sapiens" "oxyphencyclimine" 2026 "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/CHEMBL1200891" "ANTAGONIST" "Tclin" "Homo sapiens" "oxyphencyclimine" 2026 "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/CHEMBL1200891" "ANTAGONIST" "Tclin" "Homo sapiens" "oxprenolol" 2027 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.11 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL546" "ANTAGONIST" "Tclin" "Homo sapiens" "oxprenolol" 2027 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL546" "ANTAGONIST" "Tclin" "Homo sapiens" "oxprenolol" 2027 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.54 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "oxprenolol" 2027 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.03 "Ki" "CHEMBL" "=" "Rattus norvegicus" "oxybutynin" 2028 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.991 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxybutynin" 2028 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.589 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxybutynin" 2028 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.298 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxybutynin" 2028 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.837 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.09 "Ki" "Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells" "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.44 "Ki" "Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.85 "Ki" "Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxybutynin" 2028 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.168 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxybutynin" 2028 "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" "oxybutynin" 2028 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.086 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.16 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "Rattus norvegicus" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.23 "Ki" "Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine" "CHEMBL" "=" "Rattus norvegicus" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.02 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M3" "CHEMBL" "=" "Rattus norvegicus" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9 "Ki" "Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000532/WC500040171.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "oxybutynin" 2028 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.11 "Ki" "Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor expressed in Sf9 cells" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000532/WC500040171.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "oxycodone" 2029 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.796 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL656" "AGONIST" "Tclin" "Homo sapiens" "oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 4.8 "EC50" "Agonist activity at human KOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxycodone" 2029 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.4 "EC50" "Agonist activity at human DOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxycodone" 2029 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 7.36 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "oxycodone" 2029 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 6.8 "EC50" "Agonist activity at mouse MOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "Mus musculus" "oxycodone" 2029 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 5.96 "Ki" "Displacement of [3H[Ile5,6]-deltorphin II from delta opioid receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 6.49 "Ki" "Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis" "CHEMBL" "=" "Cavia porcellus" "oxycodone" 2029 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.12 "IC50" "Inhibition of electric eel AChE by Ellman's method" "CHEMBL" "=" "Electrophorus electricus" "oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 5.58 "Ki" "Displacement of [3H]U-69593 from kappa opioid receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 4.8 "EC50" "Agonist activity at mouse KOR assessed as inhibition of forskolin-stimulated cAMP accumulation after 30 mins by cell based TR-FRET assay" "CHEMBL" "=" "Mus musculus" "oxycodone" 2029 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 6.49 "Ki" "Displacement of [3H]HS-665 from KOR in guinea pig brain membranes after 60 mins by liquid scintillation analysis" "CHEMBL" "=" "Cavia porcellus" "oxymetazoline" 2032 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.54 "Ki" "Displacement of [125I]Clonidine from adrenergic alpha2A receptor (unknown origin)" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.493 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.59 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.83 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.111 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "oxymetazoline" 2032 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.342 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.019 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 9.52 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]5-HT trifluoroacetate as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.4 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9 "Ki" "Displacement of [125I]Clonidine from adrenergic alpha2C receptor (unknown origin)" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.699 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.379 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "oxymetazoline" 2032 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.21 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.162 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 9.041 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "oxymetazoline" 2032 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.19 "Ki" "CHEMBL" "=" "Rattus norvegicus" "oxymetazoline" 2032 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 6.48 "Ki" "CHEMBL" "=" "Rattus norvegicus" "oxymetazoline" 2032 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.25 "IC50" "CHEMBL" "=" "Rattus norvegicus" "oxymetazoline" 2032 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.88 "Ki" "CHEMBL" "=" "Bos taurus" "oxymetazoline" 2032 "Alpha-2A adrenergic receptor" "GPCR" "P18871" "ADRA2A" "ADA2A_PIG" 7.68 "Ki" "Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in porcine alpha2-clone" "CHEMBL" "=" "Sus scrofa" "oxymetazoline" 2032 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 8.82 "Ki" "Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in bovine pineal" "CHEMBL" "=" "Bos taurus" "oxymetazoline" 2032 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 6.69 "Ki" "CHEMBL" "=" "Mesocricetus auratus" "oxymetazoline" 2032 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.72 "Ki" "The ability to displace [3H]clonidine from the Alpha-2 adrenergic receptor was determined in rat brain membrane" "CHEMBL" "=" "Rattus norvegicus" "oxymetazoline" 2032 "Alpha-2 adrenergic receptor" "GPCR" "P30545|Q01337|Q01338" "Adra2b|Adra2c|Adra2a" "ADA2B_MOUSE|ADA2C_MOUSE|ADA2A_MOUSE" 7.48 "Ki" "Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in mouse Malpha2-10H clone" "CHEMBL" "=" "Mus musculus" "oxymetazoline" 2032 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.2 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20030735" "AGONIST" "Tclin" "Homo sapiens" "oxymetazoline" 2032 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.2 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20030735" "AGONIST" "Tclin" "Homo sapiens" "oxymetholone" 2033 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "oxymetholone" 2033 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200585" "AGONIST" "Tclin" "Homo sapiens" "oxymetholone" 2033 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.863 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.444 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "AGONIST" "Tclin" "Homo sapiens" "oxymorphone" 2034 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.83 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "AGONIST" "Tclin" "Homo sapiens" "oxymorphone" 2034 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.3 "Ki" "Inhibitory binding constant in guinea pig brain homogenate was reported at Opioid receptor delta 1 at a a temperature 25 degree Celsius labeled with [3H](D-Ala2-D-Leu5)-enkephalin (0.7 nM)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL963" "AGONIST" "Tclin" "Homo sapiens" "oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.01 "Ki" "Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.3 "Ki" "Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells" "CHEMBL" "=" "Mus musculus" "oxymorphone" 2034 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.27 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting" "CHEMBL" "=" "Cavia porcellus" "oxymorphone" 2034 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 6.21 "Ki" "Displacement of [3H]- diprenorphine from delta-W284E-receptor expressed in HEK 293 cells" "CHEMBL" "=" "Mus musculus" "oxymorphone" 2034 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 7.09 "Ki" "Inhibition of [3H][Ile5,6]deltorphin II binding to opioid receptor delta from rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "oxymorphone" 2034 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.24 "Ki" "Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum homogenate by scintillation counting" "CHEMBL" "=" "Cavia porcellus" "oxymorphone" 2034 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 7.02 "Ki" "Displacement of [3H]diprenorphine from k-E297A-receptor expressed in HEK 293 cells" "CHEMBL" "=" "Rattus norvegicus" "oxymorphone" 2034 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 10.89 "IC50" "Concentration for 50% inhibition of [3H]naloxone (1 M) binding to opioid receptor in rat brain membrane was determined in the absence of NaCl" "CHEMBL" "=" "Rattus norvegicus" "oxymorphone" 2034 "Opioid receptors; mu and delta" "GPCR" "P32300|P42866" "Oprd1|Oprm1" "OPRD_MOUSE|OPRM_MOUSE" 8.33 "Ki" "Displacement of [3H]-DAMGO from mouse MOR/DOR expressed in HEK293 cells" "CHEMBL" "=" "Mus musculus" "oxyphenbutazone" 2036 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "oxyphenbutazone" 2036 "Prostacyclin synthase" "Enzyme" "Q16647" "PTGIS" "PTGIS_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "oxyphenbutazone" 2036 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3989676" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "oxyphenbutazone" 2036 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9.52 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "oxyphenonium" 2039 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200906" "ANTAGONIST" "Tclin" "Homo sapiens" "oxyphenonium" 2039 "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/CHEMBL1200906" "ANTAGONIST" "Tclin" "Homo sapiens" "oxyphenonium" 2039 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.84 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "oxytetracycline" 2041 "30S ribosomal protein S4" "Ribosomal protein" "P0A7V8" "rpsD" "RS4_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "oxytetracycline" 2041 "30S ribosomal protein S9" "Ribosomal protein" "P0A7X3" "rpsI" "RS9_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "oxytocin" 2042 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 6.91 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxytocin" 2042 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 6.35 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxytocin" 2042 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 6.1 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "oxytocin" 2042 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 9.1 "Ki" "Binding affinity for human oxytocin receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL395429" "AGONIST" "Tclin" "Homo sapiens" "oxytocin" 2042 "Oxytocin-neurophysin 1" "Secreted" "P01178" "OXT" "NEU1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "oxytocin" 2042 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 9.05 "Ki" "Binding affinity against oxytocin receptor in rat uterus" "CHEMBL" "=" "Rattus norvegicus" "oxytocin" 2042 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 7.21 "Ki" "Binding affinity against Vasopressin receptor in rat liver" "CHEMBL" "=" "Rattus norvegicus" "oxytocin" 2042 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 6.1 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "ozagrel" 2043 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.96 "IC50" "Inhibitory activity against human thromboxane synthetase" "CHEMBL" "=" "Tchem" "Homo sapiens" "ozagrel" 2043 "Thromboxane-A synthase" "Enzyme" "P49430" "Tbxas1" "THAS_RAT" 6.7 "IC50" "Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet" "CHEMBL" "=" "Rattus norvegicus" "paclitaxel" 2044 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.59 "IC50" "Inhibition of MDR1 (unknown origin) transfected in human SKOV3 cells assessed as growth inhibition after 48 hrs by SRB assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "paclitaxel" 2044 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.3 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "paclitaxel" 2044 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.829 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paclitaxel" 2044 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "paclitaxel" 2044 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "paclitaxel" 2044 "Tubulin beta chain" "Structural" "P07437" "TUBB" "TBB5_HUMAN" 8.05 "EC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "paclitaxel" 2044 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.621 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paclitaxel" 2044 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 4.954 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paclitaxel" 2044 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 5.643 "Ki" "DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paclitaxel" 2044 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.69 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "paclitaxel" 2044 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.794 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "paclitaxel" 2044 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 5.28 "IC50" "Inhibition of Clostridium botulinum recombinant neurotoxin A light chain using SNAPtide as substrate after 1 hr by FRET assay" "CHEMBL" "=" "Clostridium botulinum" "paclitaxel" 2044 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.31 "IC50" "Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ATP after 180 mins by microfluidic capillary electrophoresis method" "CHEMBL" "=" "Tchem" "Homo sapiens" "paclitaxel" 2044 "Tubulin beta-3 chain" "Structural" "Q13509" "TUBB3" "TBB3_HUMAN" 8.11 "IC50" "Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "paclitaxel" 2044 "Nucleotide-binding oligomerization domain-containing protein 2" "Cytosolic other" "Q9HC29" "NOD2" "NOD2_HUMAN" 5.1 "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" "paclitaxel" 2044 "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" 8.05 "EC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11309480" "https://pubmed.ncbi.nlm.nih.gov/11309480" "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" "palmidrol" 2045 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "palmidrol" 2045 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 5.301 "Ki" "PDSP" "Tchem" "Homo sapiens" "palmidrol" 2045 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 5.3 "IC50" "Inhibition of rat recombinant FAAH assessed as [3H]AEA hydrolysis" "CHEMBL" "=" "Rattus norvegicus" "palmidrol" 2045 "G-protein coupled receptor 55" "GPCR" "Q9Y2T6" "GPR55" "GPR55_HUMAN" 8.4 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "palonosetron" 2046 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 10.5 "Ki" "Binding affinity to 5HT3A receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1720" "ANTAGONIST" "Tclin" "Homo sapiens" "palonosetron" 2046 "Serotonin 3 receptor (5HT3)" "Ion channel" "O95264|P46098" "HTR3B|HTR3A" "5HT3B_HUMAN|5HT3A_HUMAN" 9.74 "Kd" "Binding affinity to human wild type 5-HT3A/5-HT3B receptor expressed in HEK293 cells after 24 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "pamabrom" 2047 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.99 "Ki" "Binding affinity for adenosine A1 receptor from rat brain membranes using [3H]PIA as radioligand" "CHEMBL" "=" "Rattus norvegicus" "pamidronic acid" 2048 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.25 "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/CHEMBL834" "INHIBITOR" "Tclin" "Homo sapiens" "pamidronic acid" 2048 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 6.72 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "Leishmania donovani" "pamidronic acid" 2048 "Hypoxanthine-guanine phosphoribosyltransferase" "Enzyme" "Q07010" "HGPRT" "HPRT_TRYBB" 4.3 "Ki" "Inhibition of hypoxanthine-guanine phosphoribosyltransferase (TcHPRT)" "CHEMBL" "=" "Trypanosoma brucei brucei" "aminobenzoic acid" 2049 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.09 "Ki" "Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "aminobenzoic acid" 2049 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.08 "Ki" "Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "aminobenzoic acid" 2049 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 7.45 "IC50" "Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method" "CHEMBL" "=" "Rattus norvegicus" "aminobenzoic acid" 2049 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.42 "IC50" "Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein addition measured after 20 mins by microplate reader analysis" "CHEMBL" "=" "Agaricus bisporus" "aminobenzoic acid" 2049 "Dihydropteroate synthase" "Enzyme" "Q81VW8" "folP" "Q81VW8_BACAN" 5.25 "Kd" "Binding affinity to Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins by isothermal titration calorimetry" "CHEMBL" "=" "Bacillus anthracis" "aminobenzoic acid" 2049 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.42 "IC50" "Inhibition of mushroom tyrosinase using L-tyrosine as substrate assessed as dopachrome formation preincubated for 10 mins followed by protein addition measured after 20 mins by microplate reader analysis" "CHEMBL" "=" "Agaricus bisporus" "aminosalicylic acid" 2050 "2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase" "Kinase" "P9WNC6" "folK" "HPPK_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "aminosalicylic acid" 2050 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 2.92 "Kd" "Dissociation constant for Protein-tyrosine phosphatase 1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "aminosalicylic acid" 2050 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1169" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pancuronium" 2052 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 8.201 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL185073" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pancuronium" 2052 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 8.26 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pancuronium" 2052 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.09 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pantoprazole" 2054 "Sodium/potassium-transporting ATPase subunit alpha-1" "Transporter" "P05023" "ATP1A1" "AT1A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pantoprazole" 2054 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.39 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "pantoprazole" 2054 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 4.9 "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" "pantoprazole" 2054 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.82 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pantoprazole" 2054 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.55 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "pantoprazole" 2054 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.36 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pantoprazole" 2054 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action; CHEMBL2095173; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1502" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pantoprazole" 2054 "N(G),N(G)-dimethylarginine dimethylaminohydrolase 1" "Enzyme" "O94760" "DDAH1" "DDAH1_HUMAN" 4.2 "IC50" "Inhibition of recombinant human DDAH1 expressed in Escherichia coli BL21 Star (DE3) using ADMA as substrate assessed as decrease in citrulline production after 4 hrs by colorimetric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "pantoprazole" 2054 "Potassium-transporting ATPase" "Enzyme" "P18597|P27112" "ATP4B|ATP4A" "ATP4B_RABIT|ATP4A_RABIT" 6 "IC50" "[14C]AP accumulation as an indicator of acid secretion in rabbit isolated fundic glands" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/2164086" "Oryctolagus cuniculus" "papaverine" 2056 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.14 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 6.55 "Ki" "Inhibition of human recombinant PDE3A transfected in Sf9 cells by SPA" "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "papaverine" 2056 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.61 "IC50" "Inhibition of AChE activity" "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 5.06 "IC50" "Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta." "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 7.77 "IC50" "Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.118 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "papaverine" 2056 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 6.088 "IC50" "DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 5.85 "IC50" "Inhibition of PDE4D (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 5.64 "IC50" "Inhibition of cGMP-stimulated phosphodiesterase 2 of porcine coronary arteries" "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 6.38 "Ki" "Inhibition of human recombinant PDE3B transfected in Sf9 cells by SPA" "CHEMBL" "=" "Tclin" "Homo sapiens" "papaverine" 2056 "Protein-arginine deiminase type-4" "Enzyme" "Q9UM07" "PADI4" "PADI4_HUMAN" 4.41 "IC50" "PUBCHEM_BIOASSAY: Fluorescence-based biochemical dose response assay to identify inhibitors of Protein Arginine Deaminase 4 (PAD4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463073, AID463083, AID485272, AID488796]" "CHEMBL" "=" "Tchem" "Homo sapiens" "papaverine" 2056 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.61 "IC50" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) using acetylcholine iodide as substrate by Ellman method" "CHEMBL" "=" "Electrophorus electricus" "papaverine" 2056 "Cyclic nucleotide phosphodiesterase PDE3A" "Enzyme" "Q9XSW7" "Q9XSW7_PIG" 6.21 "IC50" "Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries" "CHEMBL" "=" "Sus scrofa" "papaverine" 2056 "Cyclic AMP-specific phosphodiesterase SSPDE4A1A" "Enzyme" "O77823" "PDE4A" "O77823_PIG" 5.77 "IC50" "Inhibition of cAMP specific phosphodiesterase from porcine coronary arteries" "CHEMBL" "=" "Sus scrofa" "papaverine" 2056 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9QYJ6" "Pde10a" "PDE10_RAT" 7.44 "IC50" "Inhibition of rat PDE10A" "CHEMBL" "=" "Rattus norvegicus" "papaverine" 2056 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 5.05 "IC50" "Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human lung" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "papaverine" 2056 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 5.06 "IC50" "Inhibitory activity against cyclic nucleotide phosphodiesterase in bovine heart carried out at 37 C with cAMP (1 M) as substrate." "CHEMBL" "=" "Bos taurus" "papaverine" 2056 "Phosphodiesterase 1" "Enzyme" "Q01066|Q63421|Q9EPR9" "Pde1b|Pde1c|Pde1a" "PDE1B_RAT|PDE1C_RAT|Q9EPR9_RAT" 4.92 "IC50" "Inhibition of Ca-dependent phosphodiesterase from Rat cerebral cortex using 1 uM cAMP" "CHEMBL" "=" "Rattus norvegicus" "papaverine" 2056 "Serine hydroxymethyltransferase, mitochondrial" "Enzyme" "P34897" "SHMT2" "GLYM_HUMAN" 5.57 "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" "papaverine" 2056 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 5.85 "IC50" "Inhibition of PDE4D (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "paramethadione" 2059 "Voltage-gated T-type calcium channel" "Ion channel" "O43497|O95180|Q9P0X4" "CACNA1G|CACNA1H|CACNA1I" "CAC1G_HUMAN|CAC1H_HUMAN|CAC1I_HUMAN" "Mechanism of Action; CHEMBL2362995; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1100" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "parecoxib" 2063 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 3.854 "IC50" "recombinant human cyclooxygenase" "SCIENTIFIC LITERATURE" "=" "INHIBITOR" "Tclin" "Homo sapiens" "parecoxib" 2063 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.301 "IC50" "recombinant human cyclooxygenase" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10794682" "https://pubmed.ncbi.nlm.nih.gov/10794682" "INHIBITOR" "Tclin" "Homo sapiens" "pargyline" 2065 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.74 "Ki" "Inhibition constant against human recombinant Monoamine oxidase-B " "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "INHIBITOR" "Tclin" "Homo sapiens" "pargyline" 2065 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.47 "IC50" "Inhibition of MAOA (unknown origin) using kynuramine as substrate after 1 hr by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL673" "INHIBITOR" "Tclin" "Homo sapiens" "pargyline" 2065 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.47 "Ki" "Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot" "CHEMBL" "=" "Rattus norvegicus" "pargyline" 2065 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.07 "Ki" "Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burke plot" "CHEMBL" "=" "Rattus norvegicus" "pargyline" 2065 "Aldehyde dehydrogenase, mitochondrial" "Enzyme" "P11884" "Aldh2" "ALDH2_RAT" 5.25 "IC50" "Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase" "CHEMBL" "=" "Rattus norvegicus" "paricalcitol" 2066 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 8.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200622" "AGONIST" "Tclin" "Homo sapiens" "paroxetine" 2068 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.647 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.068 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 10.4 "Ki" "Binding inhibition towards human serotonin transporter" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200609" "INHIBITOR" "Tclin" "Homo sapiens" "paroxetine" 2068 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.398 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.52 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.456 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.724 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.42 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.469 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.051 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.31 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "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" "paroxetine" 2068 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "paroxetine" 2068 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 6.05 "IC50" "Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "paroxetine" 2068 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 7.7 "IC50" "Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed by H2O2 addition measured after 5 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "paroxetine" 2068 "Beta-adrenergic receptor kinase 1" "Kinase" "P25098" "GRK2" "ARBK1_HUMAN" 5.86 "IC50" "Inhibition of GRK2 (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "paroxetine" 2068 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 10.3 "Ki" "Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.01 "Ki" "Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 7.48 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 9.36 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "paroxetine" 2068 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 7.7 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "paroxetine" 2068 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 7.23 "Ki" "Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "Quinolone resistance protein NorA" "Transporter" "P0A0J7" "norA" "NORA_STAAU" 5.15 "IC50" "Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay" "CHEMBL" "=" "Staphylococcus aureus" "paroxetine" 2068 "P2X purinoceptor 4" "Ion channel" "Q99571" "P2RX4" "P2RX4_HUMAN" 5.33 "IC50" "Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubated for 30 mins followed by ATP addition by Fluo-4 AM dye-based fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "paroxetine" 2068 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.2 "Ki" "Evaluated for affinity at Alpha-2 adrenergic receptor of rat brain using [3H]rauwolscine as radioligand in radioligand binding assay" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.27 "Ki" "Evaluated for affinity at Alpha-1 adrenergic receptor of rat brain using [3H]prazosin as radioligand in radioligand binding assay" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "P2X purinoceptor 4" "Unclassified" "P51577" "P2rx4" "P2RX4_RAT" 5.61 "IC50" "Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins by Fluo2-AM staining based inverted fluorescence microscopic method" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "P2X purinoceptor 4" "Unclassified" "P51577" "P2rx4" "P2RX4_RAT" 5.61 "IC50" "Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins by Fluo2-AM staining based inverted fluorescence microscopic method" "CHEMBL" "=" "Rattus norvegicus" "paroxetine" 2068 "Beta-adrenergic receptor kinase 1" "Kinase" "P21146" "GRK2" "ARBK1_BOVIN" 5.89 "IC50" "Inhibition of bovine GRK2 S670A mutant assessed as decrease in phosphorylation of tubulin after 5 mins by SDS-PAGE analysis" "CHEMBL" "=" "Bos taurus" "paroxetine" 2068 "P2X purinoceptor 4" "Unclassified" "P51577" "P2rx4" "P2RX4_RAT" 5.61 "IC50" "Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins by Fluo2-AM staining based inverted fluorescence microscopic method" "CHEMBL" "=" "Rattus norvegicus" "pefloxacin" 2071 "DNA gyrase subunit A" "Enzyme" "P0AES4" "gyrA" "GYRA_ECOLI" 6.785 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "pefloxacin" 2071 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 4.097 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "pefloxacin" 2071 "DNA gyrase subunit B" "Enzyme" "P0AES6" "gyrB" "GYRB_ECOLI" 6.785 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 6.468 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "INHIBITOR" "Tclin" "Homo sapiens" "pemetrexed" 2073 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 5.181 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL225072" "INHIBITOR" "Tclin" "Homo sapiens" "pemetrexed" 2073 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "pemetrexed" 2073 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 6.37 "IC50" "Inhibition of Toxoplasma gondii DHFR" "CHEMBL" "=" "Toxoplasma gondii" "pemetrexed" 2073 "Serine hydroxymethyltransferase, cytosolic" "Enzyme" "P34896" "SHMT1" "GLYC_HUMAN" 4.77 "Kd" "Binding affinity to human recombinant Serine hydroxymethyltransferase, cytosolic by isothermal titration calorimetry" "CHEMBL" "=" "Tbio" "Homo sapiens" "pemetrexed" 2073 "Folate receptor beta" "Membrane receptor" "P14207" "FOLR2" "FOLR2_HUMAN" 7.22 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "pemetrexed" 2073 "Proton-coupled folate transporter" "Transporter" "Q96NT5" "SLC46A1" "PCFT_HUMAN" 7.03 "Ki" "Inhibition of [3H]MTX transport at human PCFT expressed in Chinese hamster R2 cells at pH 5.5 by Dixon plot" "CHEMBL" "=" "Tchem" "Homo sapiens" "pemetrexed" 2073 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 6.25 "Ki" "Binding affinity against dihydrofolate reductase" "CHEMBL" "=" "Mus musculus" "pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P0A884" "thyA" "TYSY_ECOLI" 4.82 "IC50" "Inhibition Assay: Inhibition of various kinase enzyme." "CHEMBL" "=" "Escherichia coli (strain K12)" "pemetrexed" 2073 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 5.64 "IC50" "Inhibitory concentration against isolated Lactobacillus casei Dihydrofolate reductase" "CHEMBL" "=" "Lactobacillus casei" "pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P07607" "Tyms" "TYSY_MOUSE" 6.47 "Ki" "Compound was evaluated for competitive inhibition of recombinant mouse thymidylate synthase" "CHEMBL" "=" "Mus musculus" "pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P45352" "Tyms" "TYSY_RAT" 4.7 "IC50" "Inhibitory concentration against isolated rat thymidylate synthase" "CHEMBL" "=" "Rattus norvegicus" "pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "P00469" "thyA" "TYSY_LACCA" 6.26 "Ki" "Binding affinity against TS" "CHEMBL" "=" "Lactobacillus casei" "pemetrexed" 2073 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 5.64 "IC50" "Inhibitory activity against recombinant Escherichia coli dihydrofolate reductase" "CHEMBL" "=" "Escherichia coli" "pemetrexed" 2073 "Thymidylate synthase" "Enzyme" "C3SWJ7" "thyA" "C3SWJ7_ECOLX" 5.96 "IC50" "Inhibitory activity against Escherichia coli thymidylate synthase" "CHEMBL" "=" "Escherichia coli" "pemetrexed" 2073 "Thymidylate synthase (EC 2.1.1.45) (TS) (TSase)" "Enzyme" "E2QDN0" "E2QDN0_ECOLX" 4.12 "IC50" "Inhibition of Escherichia coli TS assessed as oxidation of tetrahydrofolate to dihydrofolate after 2 to 12 mins by spectrophotometry" "CHEMBL" "=" "Escherichia coli" "pemetrexed" 2073 "Folate transporter 1" "Transporter" "P41440" "SLC19A1" "S19A1_HUMAN" 6.86 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "pemetrexed" 2073 "Folate receptor alpha" "Membrane receptor" "P15328" "FOLR1" "FOLR1_HUMAN" 7.38 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "pemetrexed" 2073 "Trifunctional purine biosynthetic protein adenosine-3" "Enzyme" "Q64737" "Gart" "PUR2_MOUSE" 5.03 "Ki" "IUPHAR" "=" "INHIBITOR" "Mus musculus" "pemetrexed" 2073 "Trifunctional purine biosynthetic protein adenosine-3" "Enzyme" "P22102" "GART" "PUR2_HUMAN" 6.42 "Ki" "Inhibition of GARFT" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2004/021462lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pemoline" 2075 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.383 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "penbutolol" 2078 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.8 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2361370" "ANTAGONIST" "Tclin" "Homo sapiens" "penbutolol" 2078 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2361370" "ANTAGONIST" "Tclin" "Homo sapiens" "penbutolol" 2078 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.92 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "penbutolol" 2078 "Alpha-1-acid glycoprotein 1" "Secreted" "P02763" "ORM1" "A1AG1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "penbutolol" 2078 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.62 "Ki" "CHEMBL" "=" "Rattus norvegicus" "penciclovir" 2079 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1540" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "penciclovir" 2079 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" 4.96 "IC50" "Inhibition of recombinant HSV-1 TK assessed as [CH3-H3]dThd phosphorylation" "CHEMBL" "=" "Human herpesvirus 1" "penciclovir" 2079 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 4.07 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "Cercopithecine herpesvirus 1" "penfluridol" 2080 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.06 "Ki" "Displacement of [3H]DAMGO from human MOR expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.83 "Ki" "Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.8 "Ki" "Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblast cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.45 "Ki" "Displacement of [3H]-Way100635 from human 5HT1A receptor expressed in stable CHO cell membranes by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.44 "Ki" "Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.74 "Ki" "Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.682 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6 "Ki" "Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "penfluridol" 2080 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.4 "Ki" "Displacement of [3H]Rauwolscine from human alpha 2B adrenergic receptor expressed in HEK293T cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.87 "Ki" "Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.9 "Ki" "Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cells by radioligand binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "penfluridol" 2080 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6 "Ki" "Displacement of [3H]Pyrilamine from human H1 receptor expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6 "Ki" "Displacement of [3H]Cimetidine from human H2 receptor expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.29 "Ki" "Displacement of [3H]CGP12177 from human beta 3 adrenergic receptor expressed in HEK293FlpIN cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.45 "Ki" "Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEK293T cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.35 "Ki" "Displacement of [3H]Rauwolscine from human alpha 2C adrenergic receptor expressed in MDCK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6 "Ki" "Displacement of [3H]N-methylspiperone from human dopamine D4 receptor by radioligand binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "penfluridol" 2080 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.22 "Ki" "Displacement of [3H]Prazosin from human alpha 1D adrenergic receptor expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6 "Ki" "Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.77 "Ki" "Displacement of [3H]DADLE from human DOR expressed in HEK cells by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "penfluridol" 2080 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6 "Ki" "Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In CHO cells by radioligand binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "penfluridol" 2080 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 7.21 "IC50" "Inhibition of [3H]spiroperidol (0.5 nM) binding to dopamine receptor from rat striatal membrane." "CHEMBL" "=" "Rattus norvegicus" "penicillamine" 2081 "Succinyl-diaminopimelate desuccinylase" "Enzyme" "P44514" "dapE" "DAPE_HAEIN" 4.3 "IC50" "Inhibition of Haemophilus influenzae recombinant DapE" "CHEMBL" "=" "Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)" "benzylpenicillin" 2082 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "benzylpenicillin" 2082 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.7 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" "Escherichia coli" "benzylpenicillin" 2082 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 5.44 "IC50" "Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins in presence of Triton X-100 by spectrophotometric analysis" "CHEMBL" "=" "Enterobacter cloacae" "benzylpenicillin" 2082 "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/CHEMBL29" "INHIBITOR" "Escherichia coli (strain K12)" "benzylpenicillin" 2082 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 5.44 "IC50" "Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins in presence of Triton X-100 by spectrophotometric analysis" "CHEMBL" "=" "Enterobacter cloacae" "phenoxymethylpenicillin" 2083 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "phenoxymethylpenicillin" 2083 "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/CHEMBL615" "INHIBITOR" "Escherichia coli (strain K12)" "pentagastrin" 2088 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 7.84 "Ki" "Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentagastrin" 2088 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 6.22 "IC50" "Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]bolton hunter CCK-8 radioligand in the rat pancreas" "CHEMBL" "=" "Rattus norvegicus" "pentagastrin" 2088 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 8.17 "IC50" "Inhibition of the specific binding of [125I](BH)-CCK-8 to Cholecystokinin type B receptor in rat brain cortex" "CHEMBL" "=" "Rattus norvegicus" "pentagastrin" 2088 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 9.1 "IC50" "Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex" "CHEMBL" "=" "Mus musculus" "pentamidine" 2090 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.287 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.89 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.658 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.33 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.765 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.867 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.295 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.658 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.683 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.6 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.309 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.101 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.44 "IC50" "Inhibition of human plasmin assessed as reduction in protein-mediated thrombin-induced fibrin rich clot lysis measured over 5 to 100 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 5.64 "Ki" "Inhibition of trypsin by amidase assay." "CHEMBL" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 4.98 "IC50" "Inhibition of human factor 10a preincubated for 10 mins followed by spectrozyme FXa addition" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 5.94 "Ki" "compound was tested for inhibitory activity against Matriptase" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Protein S100-B" "Cytosolic other" "P04271" "S100B" "S100B_HUMAN" 6 "Kd" "Binding to holo-S100B protein" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 4.09 "IC50" "Inhibition of PRMT1 (unknown origin) assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 10 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 15 mins by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.66 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Amiloride-sensitive amine oxidase [copper-containing]" "Enzyme" "P19801" "AOC1" "AOC1_HUMAN" 6.54 "Ki" "Mixed type inhibition of recombinant human DAO expressed in drosophila S2 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.272 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "pentamidine" 2090 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.92 "IC50" "CHEMBL" "=" "Rattus norvegicus" "pentamidine" 2090 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.92 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.39 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.57 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 5.02 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "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" 5.88 "IC50" "Inhibition of [3H]MK-801 binding to the NMDA receptor of rat hippocampal membranes, measured in buffer containing 20 mM TRIS acetate, pH 7" "CHEMBL" "=" "Rattus norvegicus" "pentamidine" 2090 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDZ1_HUMAN|NMDE1_HUMAN" 6.14 "IC50" "Antagonist activity at NR1/NR2A receptor (unknown origin) expressed in Xenopus laevis oocytes assessed as inhibition of glutamate/glycine-induced current at pH 7.6 at -40mV holding potential by two-electrode voltage-clamp electrophysiology" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pentamidine" 2090 "Spermidine/spermine N(1)-acetyltransferase 1" "Enzyme" "P21673" "SAT1" "SAT1_HUMAN" 5.7 "Ki" "Inhibition of human SSAT using spermidine as substrate" "CHEMBL" "=" "Tbio" "Homo sapiens" "pentamidine" 2090 "Protein-tyrosine phosphatase 4A3" "Enzyme" "O75365" "PTP4A3" "TP4A3_HUMAN" 4.27 "IC50" "Inhibition of human recombinant PRL-3" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Acrosin" "Enzyme" "P08001" "ACR" "ACRO_PIG" 5.64 "Ki" "Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis" "CHEMBL" "=" "Sus scrofa" "pentamidine" 2090 "Protein S100-B" "Unclassified" "P04631" "S100b" "S100B_RAT" 4.36 "Kd" "Binding affinity to recombinant rat calcium loaded S100-B by fluorescence spectrophotometric analysis" "CHEMBL" "=" "Rattus norvegicus" "pentamidine" 2090 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 4.98 "IC50" "Inhibition of human factor 10a preincubated for 10 mins followed by spectrozyme FXa addition" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.44 "IC50" "Inhibition of human plasmin assessed as reduction in protein-mediated thrombin-induced fibrin rich clot lysis measured over 5 to 100 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentamidine" 2090 "Protein tyrosine phosphatase type IVA 2" "Enzyme" "Q12974" "PTP4A2" "TP4A2_HUMAN" 6.52 "IC50" "Inhibition of PTP4A2 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentamidine" 2090 "Protein tyrosine phosphatase type IVA 1" "Enzyme" "Q93096" "PTP4A1" "TP4A1_HUMAN" 6.52 "IC50" "Inhibition of PTP4A1 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "pentobarbital" 2095 "Gamma-aminobutyric acid receptor subunit beta-3" "Ion channel" "P28472" "GABRB3" "GBRB3_HUMAN" 4.06 "IC50" "Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL448" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "pentobarbital" 2095 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 2.553 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pentobarbital" 2095 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 4.301 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL448" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pentobarbital" 2095 "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" 5.77 "IC50" "Ability to allosterically modulate the binding of [35S]TBPS to gamma-aminobutyric-acid A receptor in rat brain cortical P2 membranes." "CHEMBL" "=" "Rattus norvegicus" "pentobarbital" 2095 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRG2|GABRA2|GABRB2" "GBRG2_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN" 4.3 "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" "pentolonium" 2096 "Neuronal acetylcholine receptor subunit alpha-10" "Ion channel" "Q9GZZ6" "CHRNA10" "ACH10_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "pentolonium" 2096 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNB4|CHRNA3" "ACHB4_HUMAN|ACHA3_HUMAN" "Mechanism of Action; CHEMBL1907594; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1271" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pentostatin" 2098 "Adenosine deaminase" "Enzyme" "P00813" "ADA" "ADA_HUMAN" 10.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1580" "INHIBITOR" "Tclin" "Homo sapiens" "pentostatin" 2098 "Adenosine deaminase" "Enzyme" "P56658" "ADA" "ADA_BOVIN" 11 "Ki" "Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined" "CHEMBL" "=" "Bos taurus" "pentoxifylline" 2099 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.29 "Ki" "Binding affinity at human Adenosine A2B receptor expressed in HEK293 cells, using [125I]ABOPX as radioligand" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "ANTAGONIST" "Tclin" "Homo sapiens" "pentoxifylline" 2099 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "INHIBITOR" "Tclin" "Homo sapiens" "pentoxifylline" 2099 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.18 "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" "pentoxifylline" 2099 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL628" "INHIBITOR" "Tclin" "Homo sapiens" "pergolide" 2105 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.92 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.1 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.2 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.75 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "CHEMBL" "=" "Tchem" "Homo sapiens" "pergolide" 2105 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.98 "Ki" "PDSP" "Tclin" "Homo sapiens" "pergolide" 2105 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "pergolide" 2105 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.76 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" "pergolide" 2105 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.6 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.699 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.25 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" "pergolide" 2105 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.128 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pergolide" 2105 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.16 "Ki" "PDSP" "Tclin" "Homo sapiens" "pergolide" 2105 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.838 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "pergolide" 2105 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.398 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "pergolide" 2105 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.71 "IC50" "CHEMBL" "=" "Rattus norvegicus" "pergolide" 2105 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.4 "Kd" "In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes." "CHEMBL" "=" "Rattus norvegicus" "pergolide" 2105 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.82 "IC50" "CHEMBL" "=" "Rattus norvegicus" "pergolide" 2105 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 9 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "pergolide" 2105 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.32 "IC50" "Inhibitory activity against Dopamine receptor D2 in calf corpus striatum using [3H]spiperone as radioligand" "CHEMBL" "=" "Bos taurus" "pergolide" 2105 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.62 "IC50" "Displacement of [3H]nemonapride from Rattus norvegicus (rat) chimeric dopamine D3 trunk/D3 tail receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "pergolide" 2105 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.5 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "pergolide" 2105 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.39 "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" "pergolide" 2105 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD2|DRD1" "DRD2_BOVIN|DRD1_BOVIN" 7.74 "IC50" "In vitro inhibitory activity against dopamine receptor from calf caudate using [3H]dopamine as radioligand" "CHEMBL" "=" "Bos taurus" "pergolide" 2105 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 8.51 "IC50" "In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "pergolide" 2105 "Cerebral cortex alpha adrenergic receptor" "GPCR" "P18130|Q28838" "ADRA1A|ADRA2A" "ADA1A_BOVIN|ADA2A_BOVIN" 7.39 "IC50" "In vitro affinity for alpha adrenergic receptor by displacement of 3[H]clonidine in calf cerebral cortex" "CHEMBL" "=" "Bos taurus" "pergolide" 2105 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.3 "EC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/19385slr030,031,035_permax_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "pergolide" 2105 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.47 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20600305" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/19385slr030,031,035_permax_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "perhexiline" 2106 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.962 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.11 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.486 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.185 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.18 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.3 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.105 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.027 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "perhexiline" 2106 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 5.356 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "perhexiline" 2106 "Carnitine O-palmitoyltransferase 1, liver isoform" "Enzyme" "P50416" "CPT1A" "CPT1A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "perhexiline" 2106 "Carnitine O-palmitoyltransferase 2, mitochondrial" "Enzyme" "P23786" "CPT2" "CPT2_HUMAN" 4.14 "IC50" "Inhibition of human CPT2" "CHEMBL" "=" "Tchem" "Homo sapiens" "perhexiline" 2106 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.828 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.391 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perhexiline" 2106 "Carnitine O-palmitoyltransferase 1, muscle isoform" "Enzyme" "Q63704" "Cpt1b" "CPT1B_RAT" 4.96 "IC50" "Inhibition of Wistar rat heart mitochondrial CPT-1 assessed as reduction in conversion of palmitoyl CoA and L-carnitine into palmitoylcarnitine preincubated for 3 mins followed by L-carnitine and palmitoyl CoA addition measured for 3.5 mins by spectrophotometric analysis" "CHEMBL" "=" "Rattus norvegicus" "perhexiline" 2106 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.7 "Kd" "Alpha adrenergic receptor activity in rat aorta" "CHEMBL" "=" "Rattus norvegicus" "perhexiline" 2106 "Carnitine palmitoyltransferase 2" "Enzyme" "P18886" "Cpt2" "CPT2_RAT" 4.1 "IC50" "Inhibition of CPT2 in rat mitochondria using [3H]carnitine by radiometric method" "CHEMBL" "=" "Rattus norvegicus" "perhexiline" 2106 "Carnitine palmitoyltransferase 1A" "Enzyme" "P32198" "Cpt1a" "CPT1A_RAT" 4.11 "IC50" "Inhibition of CPT1 in rat cardiac mitochondria using [3H]carnitine by radiometric method" "CHEMBL" "=" "Rattus norvegicus" "periciazine" 2107 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "periciazine" 2107 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.52 "Ki" "Displacement of [3H]mibolerone from rat androgen receptor" "CHEMBL" "=" "Rattus norvegicus" "periciazine" 2107 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 5.15 "IC50" "Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "Bos taurus" "periciazine" 2107 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.64 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "Equus caballus" "perindopril" 2108 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.82 "IC50" "Inhibition of ACE (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1581" "INHIBITOR" "Tclin" "Homo sapiens" "perlapine" 2111 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.222 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "perlapine" 2111 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.704 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "perlapine" 2111 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.824 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "perlapine" 2111 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "perlapine" 2111 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.32 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "perlapine" 2111 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.523 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "perlapine" 2111 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.57 "IC50" "Inhibition of spiropiperidone binding at dopamine receptor D2 of rat." "CHEMBL" "=" "Rattus norvegicus" "perospirone" 2112 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.22 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7556" "ANTAGONIST" "Tclin" "Homo sapiens" "perospirone" 2112 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.55 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "perospirone" 2112 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 10.05 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "perospirone" 2112 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 4.74 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "perphenazine" 2113 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.32 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL567" "ANTAGONIST" "Tclin" "Homo sapiens" "perphenazine" 2113 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.19 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.462 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.07 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.252 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.879 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.55 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "perphenazine" 2113 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.638 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.979 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.521 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.088 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.733 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 7.481 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "perphenazine" 2113 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.07 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "perphenazine" 2113 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.588 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "perphenazine" 2113 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "perphenazine" 2113 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "perphenazine" 2113 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.85 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "phenacemide" 2114 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" "BLOCKER" "Tclin" "Homo sapiens" "phenacetin" 2115 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "phenazocine" 2119 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.7 "Ki" "Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenazocine" 2119 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.7 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenazocine" 2119 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.3 "Ki" "Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenazocine" 2119 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.1 "IC50" "Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1" "CHEMBL" "=" "Mus musculus" "phenazocine" 2119 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 8.01 "IC50" "Ability to induce 50% of maximal effect in guinea pig ileum expressing Opioid receptor mu 1" "CHEMBL" "=" "Cavia porcellus" "phenazopyridine" 2120 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A" "SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1242" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "phenazopyridine" 2120 "Snake venom metalloproteinase Bap1" "Enzyme" "P83512" "VM1B1_BOTAS" 4.27 "IC50" "Inhibition of snake venom BaP1 using Abz-Ala-Gly-Leu-Ala-Nba as substrate incubated for 30 mins prior to substrate addition by fluorescence spectrophotometry" "CHEMBL" "=" "Bothrops asper" "phencyclidine" 2121 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.96 "Ki" "Compound was evaluated for its ability to displace [3H](+)-pentazocine from sigma receptor in Guinea pig brain" "CHEMBL" "=" "Tclin" "Homo sapiens" "phencyclidine" 2121 "Lysosomal Pro-X carboxypeptidase" "Enzyme" "P42785" "PRCP" "PCP_HUMAN" 7.04 "IC50" "Inhibition of [3H]-TCP binding to PCP receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "Tchem" "Homo sapiens" "phencyclidine" 2121 "Glutamate receptor ionotropic, NMDA 1" "Ion channel" "P35439" "Grin1" "NMDZ1_RAT" 7.28 "Ki" "Binding affinity by displacement of [3H]TCP from PCP N-methyl-D-aspartate glutamate receptor of tissue homogenate preparation of rat brain without cerebellum (in vitro)" "CHEMBL" "=" "Rattus norvegicus" "phencyclidine" 2121 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.28 "IC50" "Inhibition of [3H]NANM binding to sigma receptor obtained from tissue homogenate preparation of fresh whole rat brain minus cerebellum" "CHEMBL" "=" "Rattus norvegicus" "phencyclidine" 2121 "Glutamate receptor ionotropic, NMDA 2C" "Ion channel" "Q00961" "Grin2c" "NMDE3_RAT" 7.22 "Ki" "Binding affinity against phencyclidine receptor was determined by the displacement of [3H]TCP of whole rat brain minus cerebellum." "CHEMBL" "=" "Rattus norvegicus" "phencyclidine" 2121 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 6.28 "Ki" "Compound was evaluated for the protection of butyrylcholinesterase against DFT in mice" "CHEMBL" "=" "Mus musculus" "phencyclidine" 2121 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 6.66 "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" "phencyclidine" 2121 "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" 7.82 "Ki" "Affinity to NMDA receptor, using [3H]MK-801 as radioligand in pig brain cortex membranes" "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" "phencyclidine" 2121 "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" 7.42 "Ki" "Binding affinity was determined towards NMDA receptor using [3H]thienylcyclidine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "phencyclidine" 2121 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDZ1_HUMAN|NMDE2_HUMAN" 5.9 "IC50" "Inhibition of human recombinant NR1/NR2B receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "phencyclidine" 2121 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDZ1_HUMAN|NMDE1_HUMAN" 6.4 "IC50" "Inhibition of human recombinant NR1/NR2A receptor expressed in U2OS assessed as change in intracellular calcium level by FLIPR assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "phencyclidine" 2121 "Muscarinic acetylcholine receptor" "GPCR" "P12657|P32211|Q920H4|Q9ERZ3|Q9ERZ4" "Chrm1|Chrm4|Chrm5|Chrm3|Chrm2" "ACM1_MOUSE|ACM4_MOUSE|ACM5_MOUSE|ACM3_MOUSE|ACM2_MOUSE" 5.04 "Kd" "Dissociation constant towards Muscarinic acetylcholine receptor was determined by using [3H]4NMPB as radioligand" "CHEMBL" "=" "Mus musculus" "phendimetrazine" 2122 "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/CHEMBL1744" "INHIBITOR" "Tclin" "Homo sapiens" "phendimetrazine" 2122 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.9 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "phendimetrazine" 2122 "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/CHEMBL1744" "INHIBITOR" "Tclin" "Homo sapiens" "phenelzine" 2123 "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" "phenelzine" 2123 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.076 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "phenelzine" 2123 "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" "phenelzine" 2123 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.14 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "phenelzine" 2123 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.398 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "phenelzine" 2123 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.82 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "INHIBITOR" "Tclin" "Homo sapiens" "phenelzine" 2123 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.836 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1089" "INHIBITOR" "Tclin" "Homo sapiens" "phenelzine" 2123 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "phenelzine" 2123 "Membrane primary amine oxidase" "Enzyme" "Q16853" "AOC3" "AOC3_HUMAN" 7.7 "IC50" "Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "phenelzine" 2123 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.85 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "phenelzine" 2123 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 7.12 "IC50" "In vitro ability to inhibit Monoamine oxidase B activity in rat whole brain in vitro" "CHEMBL" "=" "Rattus norvegicus" "phenelzine" 2123 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 7.52 "IC50" "In vitro ability to inhibit Monoamine oxidase A activity in rat whole brain in vitro" "CHEMBL" "=" "Rattus norvegicus" "phenelzine" 2123 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.75 "Ki" "Inhibition of LSD1" "CHEMBL" "=" "Tchem" "Homo sapiens" "phenelzine" 2123 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.12 "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" "phenformin" 2126 "5'-AMP-activated protein kinase subunit beta-1" "Kinase" "Q9Y478" "PRKAB1" "AAKB1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "phenindamine" 2129 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 8.8 "Kd" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "Cavia porcellus" "phenindione" 2130 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL711" "INHIBITOR" "Tclin" "Homo sapiens" "phenindione" 2130 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "phenindione" 2130 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 4.82 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "Rattus norvegicus" "pheniprazine" 2131 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17404836" "INHIBITOR" "Tclin" "Homo sapiens" "pheniprazine" 2131 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17404836" "INHIBITOR" "Tclin" "Homo sapiens" "pheniramine" 2132 "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/CHEMBL1193" "ANTAGONIST" "Tclin" "Homo sapiens" "pheniramine" 2132 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.378 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "pheniramine" 2132 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.48 "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" "phenmetrazine" 2133 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.298 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201208" "INHIBITOR" "Tclin" "Homo sapiens" "phenmetrazine" 2133 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.883 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201208" "INHIBITOR" "Tclin" "Homo sapiens" "phenmetrazine" 2133 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "phenobarbital" 2134 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "phenobarbital" 2134 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "phenobarbital" 2134 "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" "phenobarbital" 2134 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.6 "IC50" "Inhibition of [3H]BTX-B binding to neurotoxin site 2 of sodium channel of rat cerebral cortex synaptoneurosomes" "CHEMBL" "=" "Rattus norvegicus" "phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" 5.92 "Ki" "Inhibition of human thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "P0A884" "thyA" "TYSY_ECOLI" 5.33 "Ki" "In vitro inhibition of Lactobacillus casei Thymidylate synthase." "CHEMBL" "=" "Escherichia coli (strain K12)" "phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "P00469" "thyA" "TYSY_LACCA" 5.33 "Ki" "Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay" "CHEMBL" "=" "Lactobacillus casei" "phenolphthalein" 2135 "Thymidylate synthase" "Enzyme" "Q834R3" "thyA" "TYSY_ENTFA" 5.85 "Ki" "Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay" "CHEMBL" "=" "Enterococcus faecalis (strain ATCC 700802 / V583)" "phenoxybenzamine" 2136 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.28 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200787" "ANTAGONIST" "Tclin" "Homo sapiens" "phenoxybenzamine" 2136 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.27 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200787" "ANTAGONIST" "Tclin" "Homo sapiens" "phenoxybenzamine" 2136 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.456 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200787" "ANTAGONIST" "Tclin" "Homo sapiens" "phenoxybenzamine" 2136 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.82 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "phenoxybenzamine" 2136 "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 "Ki" "In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement." "CHEMBL" "=" "Rattus norvegicus" "phenoxybenzamine" 2136 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 8.74 "Ki" "In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "phenoxybenzamine" 2136 "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" "phenprocoumon" 2138 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 6.1 "Ki" "Binding affinity towards HIV protease was determined" "CHEMBL" "=" "Human immunodeficiency virus 1" "phenprocoumon" 2138 "Vitamin K epoxide reductase complex subunit 1" "Unclassified" "Q6TEK4" "Vkorc1" "VKOR1_RAT" 6.7 "Ki" "Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K" "CHEMBL" "=" "Rattus norvegicus" "phenprocoumon" 2138 "Vitamin K epoxide reductase complex subunit 1" "Unclassified" "Q6TEK4" "Vkorc1" "VKOR1_RAT" 6.7 "Ki" "Inhibition of VKORC1 in rat liver microsomes in presence of 0.003 to 0.2 mM vitamin K" "CHEMBL" "=" "Rattus norvegicus" "phenprocoumon" 2138 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 5.745 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/17275317" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16694" "INHIBITOR" "Tclin" "Homo sapiens" "phensuximide" 2139 "Voltage-gated T-type calcium channel" "Ion channel" "O43497|O95180|Q9P0X4" "CACNA1G|CACNA1H|CACNA1I" "CAC1G_HUMAN|CAC1H_HUMAN|CAC1I_HUMAN" "Mechanism of Action; CHEMBL2362995; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL797" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "phentermine" 2140 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1574" "INHIBITOR" "Tclin" "Homo sapiens" "phentermine" 2140 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.801 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8.77 "Ki" "Displacement of [3H]RX781094 from alpha2 adrenergic receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" "phentolamine" 2142 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.26 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.784 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.667 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.609 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.616 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.684 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.39 "Ki" "Binding affinity towards alpha-1A adrenergic receptor expressed in human embryonic kidney (HEK293) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" "phentolamine" 2142 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.12 "Ki" "Binding affinity against Alpha-2B adrenergic receptor from human clones." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" "phentolamine" 2142 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.398 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.08 "Ki" "Binding affinity against Alpha-2C adrenergic receptor from human clones." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" "phentolamine" 2142 "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" "phentolamine" 2142 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.71 "Ki" "Binding affinity towards human alpha-1D adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" "phentolamine" 2142 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.32 "Ki" "Binding affinity towards human alpha-1B adrenergic receptor expressed in Chinese Hamster ovary (CHO) cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL597" "ANTAGONIST" "Tclin" "Homo sapiens" "phentolamine" 2142 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.94 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "phentolamine" 2142 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.347 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "phentolamine" 2142 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.96 "IC50" "CHEMBL" "=" "Rattus norvegicus" "phentolamine" 2142 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.35 "Ki" "Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "phentolamine" 2142 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 8.33 "Ki" "The compound was tested for binding affinity against alpha-2D adrenergic receptor, from rat clones." "CHEMBL" "=" "Rattus norvegicus" "phentolamine" 2142 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 8.17 "Ki" "Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells" "CHEMBL" "=" "Bos taurus" "phentolamine" 2142 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 4.9 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "phentolamine" 2142 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 9.03 "Ki" "Binding affinity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand" "CHEMBL" "=" "Bos taurus" "phentolamine" 2142 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 6.66 "Ki" "Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells" "CHEMBL" "=" "Mesocricetus auratus" "phentolamine" 2142 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.85 "Ki" "Binding affinity towards Alpha-2 adrenergic receptor, using [3H]- atipamezole as radioligand from rat frontal cortex membranes" "CHEMBL" "=" "Rattus norvegicus" "phentolamine" 2142 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.08 "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" "phenylalanine" 2144 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 4.16 "IC50" "Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH" "CHEMBL" "=" "Tbio" "Homo sapiens" "phenylalanine" 2144 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "O08532" "Cacna2d1" "CA2D1_MOUSE" 6.01 "Ki" "CHEMBL" "=" "Mus musculus" "phenylalanine" 2144 "L-type amino acid transporter 1" "Transporter" "Q63016" "Slc7a5" "LAT1_RAT" 4.26 "Ki" "CHEMBL" "=" "Rattus norvegicus" "phenylalanine" 2144 "Intestinal alkaline phosphatase" "Enzyme" "P19111" "ALPI" "PPBI_BOVIN" 4.1 "IC50" "CHEMBL" "=" "Bos taurus" "phenylalanine" 2144 "Probable G-protein coupled receptor 139" "GPCR" "Q6DWJ6" "GPR139" "GP139_HUMAN" 4.51 "IC50" "Measured using a GTPγS assay in transfected COS7 cells." "IUPHAR" "=" "AGONIST" "Homo sapiens" "phenylalanine" 2144 "Intestinal-type alkaline phosphatase" "Enzyme" "P09923" "ALPI" "PPBI_HUMAN" 4 "IC50" "Inhibition of human IAP expressed in African green monkey COS7 cell membranes using CDP-star as substrate pretreated for 5 to 10 mins followed by substrate addition and measured after 15 to 20 mins by spectrophotometric method" "CHEMBL" "=" "Tbio" "Homo sapiens" "phenylalanine" 2144 "E3 ubiquitin-protein ligase XIAP" "Unclassified" "P98170" "XIAP" "XIAP_HUMAN" 4.1 "IC50" "Inhibition of human IAP expressed in COS7 cells using CDP-star as substrate preincubated for 5 to 10 mins followed by substrate addition measured after 20 mins by luminescence-based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "phenylbutazone" 2145 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.52 "IC50" "Compound was evaluated for inhibition of Prostaglandin G/H synthase 1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL101" "INHIBITOR" "Tclin" "Homo sapiens" "phenylbutazone" 2145 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4.69 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "phenylbutazone" 2145 "Prostacyclin synthase" "Enzyme" "Q16647" "PTGIS" "PTGIS_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "phenylbutazone" 2145 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.72 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "phenylbutazone" 2145 "Cyclooxygenase 2; Prostaglandin G/H synthase-2; Uncharacterized protein" "Enzyme" "Q8SPQ9" "PTGS2" "Q8SPQ9_CANFA" 5.42 "IC50" "Inhibitory activity of the compound against canine COX-2" "CHEMBL" "=" "Canis familiaris" "phenylbutazone" 2145 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 4.82 "IC50" "Compound was tested for inhibition of prostaglandin synthetase when administered perorally" "CHEMBL" "=" "Rattus norvegicus" "phenylbutazone" 2145 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 10 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "phenylephrine" 2146 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.3 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "AGONIST" "Tclin" "Homo sapiens" "phenylephrine" 2146 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.9 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "AGONIST" "Tclin" "Homo sapiens" "phenylephrine" 2146 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1215" "AGONIST" "Tclin" "Homo sapiens" "phenylephrine" 2146 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 4.89 "Ki" "Displacement of [3H]dihydroalprenolol from adrenergic beta 1 receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "phenylephrine" 2146 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.03 "Ki" "CHEMBL" "=" "Bos taurus" "phenylephrine" 2146 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 5.9 "Ki" "CHEMBL" "=" "Mesocricetus auratus" "phenylephrine" 2146 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 6.57 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "phenylephrine" 2146 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.21 "Ki" "Displacement of [3H]WB-4101 from adrenergic alpha 1 receptor of rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "phenylephrine" 2146 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" 6.41 "Ki" "Compound was tested for its ability to displace [3H]clonidine form alpha-2 adrenergic receptor site in guinea pig cerebral cortical membranes." "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "phenylephrine" 2146 "Alpha-1B adrenergic receptor" "GPCR" "G3HDX1" "" "G3HDX1_CRIGR" 8 "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" "phenylpropanolamine" 2149 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.56 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.824 "Ki" "PDSP" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.155 "Ki" "PDSP" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "Mechanism of Action; CHEMBL229; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL61006" "AGONIST" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.398 "Ki" "PDSP" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.171 "Ki" "PDSP" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.577 "Ki" "PDSP" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.166 "Ki" "PDSP" "Tclin" "Homo sapiens" "phenylpropanolamine" 2149 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.01 "Ki" "Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay" "CHEMBL" "=" "Rattus norvegicus" "phenylpropanolamine" 2149 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 6.58 "Ki" "CHEMBL" "=" "Rattus norvegicus" "phenylpropanolamine" 2149 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 5.07 "Ki" "Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay" "CHEMBL" "=" "Rattus norvegicus" "phenylpropanolamine" 2149 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 5.02 "Ki" "Binding affinity to Cricetinae (hamster) alpha1B adrenoreceptor by radioligand displacement assay" "CHEMBL" "=" "Mesocricetus auratus" "phenyltoloxamine" 2150 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.46 "Ki" "Binding affinity for human recombinant dopamine receptor D1" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenyltoloxamine" 2150 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.56 "Ki" "Binding affinity for human recombinant dopamine receptor D2L" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenyltoloxamine" 2150 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.38 "Ki" "Binding affinity for human recombinant dopamine receptor D5" "CHEMBL" "=" "Tchem" "Homo sapiens" "phenyltoloxamine" 2150 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.56 "Ki" "Binding affinity for human recombinant dopamine receptor D4.4" "CHEMBL" "=" "Tchem" "Homo sapiens" "phenyltoloxamine" 2150 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/28684" "ANTAGONIST" "Tclin" "Homo sapiens" "phenytoin" 2152 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "phenytoin" 2152 "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/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" "phenytoin" 2152 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" "phenytoin" 2152 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 4.9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" "phenytoin" 2152 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" "phenytoin" 2152 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.62 "Ki" "Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" "phenytoin" 2152 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" "phenytoin" 2152 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL16" "BLOCKER" "Tclin" "Homo sapiens" "phenytoin" 2152 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.66 "IC50" "Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-clamp technique" "CHEMBL" "=" "Rattus norvegicus" "phenytoin" 2152 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 4.4 "IC50" "In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synaptoneurosomes" "CHEMBL" "=" "Rattus norvegicus" "phloroglucinol" 2153 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 4.44 "IC50" "Inhibition of human recombinant BACE1 after 60 mins by FRET assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "oxagrelate" 2156 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 5.85 "Ki" "Binding affinity for low Km cAMP phosphodiesterase PDE III of human platelets" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "oxagrelate" 2156 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 5 "Ki" "Binding affinity for [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of human brain" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "physostigmine" 2159 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.699 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 9.37 "IC50" "In vitro inhibitory activity against acetylcholinesterase" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6598" "INHIBITOR" "Tclin" "Homo sapiens" "physostigmine" 2159 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 5.3 "Ki" "Inhibition of anticholinesterase activity by their ability to inactivate human serum butyrylcholinesterase" "CHEMBL" "=" "Tclin" "Homo sapiens" "physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 7.96 "IC50" "Inhibition of Pacific electric ray AChE using acetylthiocholine iodide as substrate after 60 mins by Ellman's method" "CHEMBL" "=" "Torpedo californica" "physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 9.17 "IC50" "Inhibitory activity against acetylcholinesterase" "CHEMBL" "=" "Mus musculus" "physostigmine" 2159 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 8.12 "IC50" "Inhibition of rat plasma BChE by Ellman's method" "CHEMBL" "=" "Rattus norvegicus" "physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 9.17 "IC50" "Inhibitory concentration in vitro and ex vivo for anti-AChE activity in rat brain" "CHEMBL" "=" "Rattus norvegicus" "physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 7.47 "Ki" "Time dependent inhibition of Electric eel AChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after 60 mins" "CHEMBL" "=" "Electrophorus electricus" "physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 7.52 "IC50" "Concentration required to inhibit hydrolytic activity of Acetylcholinesterase by 50%" "CHEMBL" "=" "Bos taurus" "physostigmine" 2159 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 4.43 "IC50" "Binding affinity against mouse muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]pirenzepine" "CHEMBL" "=" "Mus musculus" "physostigmine" 2159 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 6.55 "IC50" "Inhibition of mouse serum BChE after 1 hr by modified Ellman's colorimetric method" "CHEMBL" "=" "Mus musculus" "physostigmine" 2159 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 7.8 "IC50" "Compound was evaluated for its inhibitory concentration against Horse serum Butyrylcholinesterase" "CHEMBL" "=" "Equus caballus" "physostigmine" 2159 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.39 "Ki" "Time dependent inhibition of equine serum BChE assessed as stability constants of inhibitor-enzyme complex using acetylthiocholine as substrate after 60 mins" "CHEMBL" "=" "Equus caballus" "physostigmine" 2159 "Acetylcholinesterase" "Enzyme" "P36196" "ACHE" "ACES_CHICK" 7.7 "IC50" "Inhibition of acetylcholine esterase in chicken biventer cervicis muscle assessed as rate of acetylcholine hydrolysis by Ellman's method" "CHEMBL" "=" "Gallus gallus" "picrotoxin" 2162 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.2 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "picrotoxin" 2162 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 5.6 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "picrotoxin" 2162 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 4.5 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "picrotoxin" 2162 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 4.5 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "picrotoxin" 2162 "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" 5.88 "IC50" "Tested for inhibition of specific binding of [3H]-EBOB to GABA-Gated Chloride channels of Gamma-aminobutyric acid A receptor in rat brain cortex (Potency expressed as IC50)" "CHEMBL" "=" "Rattus norvegicus" "picrotin" 2163 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.28 "IC50" "GRAC: human Glycine receptor subunit alpha-1 channel blocker" "CHEMBL" "=" "Tclin" "Homo sapiens" "picrotin" 2163 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 4.9 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "picrotin" 2163 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 4.6 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "picrotin" 2163 "Glycine receptor subunit alpha-3" "Ion channel" "O75311" "GLRA3" "GLRA3_HUMAN" 5.22 "IC50" "GRAC: human Glycine receptor subunit alpha-3 channel blocker" "CHEMBL" "=" "Tchem" "Homo sapiens" "piketoprofen" 2165 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D08374" "INHIBITOR" "Tclin" "Homo sapiens" "piketoprofen" 2165 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D08374" "INHIBITOR" "Tclin" "Homo sapiens" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 5.01 "Ki" "Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M2, using [3H]- N-methyl-scopolamine, a radioligand displacement assay in rat heart membranes" "CHEMBL" "=" "Rattus norvegicus" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 5.51 "Ki" "Compound was evaluated for its affinity towards Muscarinic acetylcholine receptor M1, using [3H]- pirenzepine, a radioligand displacement assay in rat hippocampal membranes" "CHEMBL" "=" "Rattus norvegicus" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 5.16 "EC50" "Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line" "CHEMBL" "=" "Mus musculus" "pilocarpine" 2166 "Muscarinic acetylcholine receptor DM1" "GPCR" "P16395" "mAChR-A" "ACM1_DROME" 5.55 "Ki" "Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting" "CHEMBL" "=" "Drosophila melanogaster" "pilocarpine" 2166 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 7.08 "Ki" "Inhibition of [3H]OXO-M binding against muscarinic acetylcholine receptor in rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.02 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24558448" "AGONIST" "Tclin" "Homo sapiens" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.95 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24558448" "AGONIST" "Tclin" "Homo sapiens" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.97 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "https://pubmed.ncbi.nlm.nih.gov/24558448" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=305" "AGONIST" "Tclin" "Homo sapiens" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.15 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24558448" "AGONIST" "Tclin" "Homo sapiens" "pilocarpine" 2166 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7 "EC50" "calcium response in CHO cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24558448" "AGONIST" "Tclin" "Homo sapiens" "pilsicainide" 2167 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.69 "IC50" "Inhibition of human ERG channel in HEK293 cells by voltage-clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pilsicainide" 2167 "Sodium channel protein type 4 subunit alpha" "Ion channel" "P35499" "SCN4A" "SCN4A_HUMAN" 4.377 "IC50" "pH 8.2; use-dependent block at -70mV" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20590641" "https://pubmed.ncbi.nlm.nih.gov/20590641" "BLOCKER" "Tclin" "Homo sapiens" "pimecrolimus" 2168 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pimecrolimus" 2168 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pimecrolimus" 2168 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 9 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200686" "INHIBITOR" "Tclin" "Homo sapiens" "pimecrolimus" 2168 "Interleukin-2" "Cytokine" "P60568" "IL2" "IL2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "pimecrolimus" 2168 "Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform" "Enzyme" "P48454" "PPP3CC" "PP2BC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "pimecrolimus" 2168 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "Q62658" "Fkbp1a" "FKB1A_RAT" 8.22 "IC50" "Indirect measurement of primary target inhibition via rotamase inhibition" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "pimethixene" 2169 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.6 "Ki" "Binding affinity against 5-hydroxytryptamine 2A receptor from rat forebrain using [3H]ketanserin as radioligand" "CHEMBL" "=" "Rattus norvegicus" "pimethixene" 2169 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.25 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "Aliivibrio fischeri" "pimethixene" 2169 "Histone-lysine N-methyltransferase SETD7" "Enzyme" "Q8WTS6" "SETD7" "SETD7_HUMAN" 5.37 "IC50" "Inhibition of recombinant SET7/9 (unknown origin) using biotinylated histone H3-derived peptide/SAM as substrate after 60 mins by AlphaLISA assay" "CHEMBL" "=" "Homo sapiens" "pimobendan" 2171 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 4.77 "IC50" "Concentration required for 50% inhibition of binding against Angiotensin II receptor, type 1 in bovine adrenal cortex" "CHEMBL" "=" "Bos taurus" "pimobendan" 2171 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 6.39 "IC50" "Inhibition of phosphodiesterase 3" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11855658" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pimozide" 2172 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.43 "IC50" "Binding affinity against mu opioid receptor using [3H]DAMGO" "CHEMBL" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.862 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1423" "ANTAGONIST" "Tclin" "Homo sapiens" "pimozide" 2172 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.798 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.842 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.745 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.538 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "pimozide" 2172 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.63 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.559 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pimozide" 2172 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.058 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.149 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "pimozide" 2172 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 9.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.704 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.086 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.046 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pimozide" 2172 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.71 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.7 "Ki" "Antagonist activity at H4 receptor (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "pimozide" 2172 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.709 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.509 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.424 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.745 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "pimozide" 2172 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6 "IC50" "Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "pimozide" 2172 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.77 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" 7.4 "Kd" "Inhibition of T-type alpha1G calcium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 5.222 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin" "Homo sapiens" "pimozide" 2172 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.42 "IC50" "Binding affinity against delta opiate receptor using [3H]DPDPE" "CHEMBL" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1I" "Ion channel" "Q9P0X4" "CACNA1I" "CAC1I_HUMAN" 7.5 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "pimozide" 2172 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 5.75 "IC50" "Inhibition of of human TREK1 expressed in whole COS cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "pimozide" 2172 "Potassium voltage-gated channel subfamily A member 10" "Ion channel" "Q16322" "KCNA10" "KCA10_HUMAN" 6.5 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "pimozide" 2172 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 9.3 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "pimozide" 2172 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6.47 "IC50" "Inhibitory activity against type IIA sodium channel in CNaIIA-1 cell line expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "pimozide" 2172 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 9.22 "Ki" "Binding affinity of compound towards Dopamine receptor D2 using [3H]raclopride (1.2 nM) ligand in striatum bovine was determined" "CHEMBL" "=" "Bos taurus" "pimozide" 2172 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "pimozide" 2172 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.47 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pimozide" 2172 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 9.4 "IC50" "Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes." "CHEMBL" "=" "Rattus norvegicus" "pimozide" 2172 "Ubiquitin carboxyl-terminal hydrolase 1" "Enzyme" "O94782" "USP1" "UBP1_HUMAN" 5.7 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "Q9EQ60" "Cacna1h" "CAC1H_RAT" 7.3 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "pimozide" 2172 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 5.5 "EC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "pimozide" 2172 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O54898" "Cacna1g" "CAC1G_RAT" 7.5 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "pinacidil" 2173 "ATP-binding cassette sub-family C member 9" "Ion channel" "O60706" "ABCC9" "ABCC9_HUMAN" 5.45 "EC50" "Channel opening activity at SUR2B/Kir6.2 potassium ATP channel in human TE671 cells assessed as isometric force by FLIPR" "CHEMBL" "=" "Tclin" "Homo sapiens" "pinacidil" 2173 "Calcium-activated potassium channel subunit alpha-1" "Ion channel" "Q12791" "KCNMA1" "KCMA1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pinacidil" 2173 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 6.49 "Ki" "Binding affinity was determined by displacement of [3H]P1075 from its binding sites in canine cardiac membranes" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159" "OPENER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pindolol" 2176 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "pindolol" 2176 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL500" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "pindolol" 2176 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pindolol" 2176 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "pindolol" 2176 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "pindolol" 2176 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 4.27 "Ki" "Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand." "CHEMBL" "=" "Tclin" "Homo sapiens" "pindolol" 2176 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.78 "Kd" "Displacement of [3H]-CGP 12177 from human beta-3 adrenergic receptor expressed in CHOK1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "pindolol" 2176 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pindolol" 2176 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.209 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pindolol" 2176 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.1 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "pindolol" 2176 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.7 "Ki" "Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "pindolol" 2176 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 7 "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" "pindolol" 2176 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 4.53 "Ki" "Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement." "CHEMBL" "=" "Rattus norvegicus" "pioglitazone" 2179 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.943 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pioglitazone" 2179 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 6.52 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "pioglitazone" 2179 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.3 "Ki" "Competitive inhibition of human MAOB expressed in Pichia pastoris" "CHEMBL" "=" "Tclin" "Homo sapiens" "pioglitazone" 2179 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.455 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pioglitazone" 2179 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 5.18 "EC50" "In vitro transactivation of human Peroxisome proliferator activated receptor alpha (hPPARalpha)" "CHEMBL" "=" "Tclin" "Homo sapiens" "pioglitazone" 2179 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.23 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL595" "AGONIST" "Tclin" "Homo sapiens" "pioglitazone" 2179 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.879 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "pioglitazone" 2179 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.68 "Ki" "Competitive inhibition of rat MAOB expressed in Pichia pastoris" "CHEMBL" "=" "Rattus norvegicus" "pioglitazone" 2179 "Peroxisome proliferator-activated receptor alpha" "Transcription factor" "P23204" "Ppara" "PPARA_MOUSE" 5.94 "IC50" "Activation of mouse liver PPARalpha" "CHEMBL" "=" "Mus musculus" "pioglitazone" 2179 "Peroxisome proliferator-activated receptor gamma" "Transcription factor" "P37238" "Pparg" "PPARG_MOUSE" 6.15 "IC50" "Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay" "CHEMBL" "=" "Mus musculus" "pioglitazone" 2179 "Peroxisome proliferator-activated receptor gamma" "Transcription factor" "O88275" "Pparg" "PPARG_RAT" 6.15 "IC50" "Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes" "CHEMBL" "=" "Rattus norvegicus" "pioglitazone" 2179 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 4.1 "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)" "pioglitazone" 2179 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 5.7 "IC50" "CHEMBL" "=" "Rattus norvegicus" "pioglitazone" 2179 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 6.43 "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" "pioglitazone" 2179 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "B0K020" "Cisd1" "CISD1_RAT" 6 "IC50" "Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "pioglitazone" 2179 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "P23204" "Ppara" "PPARA_MOUSE" 5.94 "IC50" "Activation of mouse liver PPARalpha" "CHEMBL" "=" "Mus musculus" "pioglitazone" 2179 "CDGSH iron-sulfur domain-containing protein 2" "Unclassified" "Q8N5K1" "CISD2" "CISD2_HUMAN" 5.32 "IC50" "Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "pipamazine" 2180 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.796 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.87 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.602 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.319 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.461 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.351 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.992 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.256 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.509 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.959 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.284 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "pipamazine" 2180 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.105 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.799 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.939 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.646 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.189 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "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" "pipamazine" 2180 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.02 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pipamazine" 2180 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.848 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "pipamazine" 2180 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.864 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "pipamazine" 2180 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.429 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "pipamazine" 2180 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.29 "IC50" "CHEMBL" "=" "Rattus norvegicus" "pipamazine" 2180 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.75 "IC50" "CHEMBL" "=" "Rattus norvegicus" "pipamperone" 2181 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "pipamperone" 2181 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "pipamperone" 2181 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.94 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pipamperone" 2181 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.066 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.324 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.644 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pipamperone" 2181 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.456 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pipamperone" 2181 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.602 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pipamperone" 2181 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pipamperone" 2181 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.538 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "pipamperone" 2181 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.301 "Ki" "PDSP" "Tchem" "Homo sapiens" "pipecuronium" 2183 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNB4|CHRNA2" "ACHB4_HUMAN|ACHA2_HUMAN" "WOMBAT-PK" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "pipecuronium" 2183 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201206" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pipecuronium" 2183 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pipecuronium" 2183 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "piperacillin" 2187 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "piperacillin" 2187 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 6.7 "Ki" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "Citrobacter freundii" "piperacillin" 2187 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 6.55 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "piperacillin" 2187 "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/CHEMBL702" "INHIBITOR" "Escherichia coli (strain K12)" "piperazine" 2188 "Gamma-aminobutyric acid receptor subunit beta" "Ion channel" "O18276" "gab-1" "GBRB_CAEEL" "WOMBAT-PK" "Caenorhabditis elegans" "pipotiazine palmitate" 2193 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.699 "Ki" "PDSP" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7557" "ANTAGONIST" "Tclin" "Homo sapiens" "pipotiazine palmitate" 2193 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.553 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pirbuterol" 2199 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1094966" "AGONIST" "Tclin" "Homo sapiens" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.68 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=328" "ANTAGONIST" "Tclin" "Homo sapiens" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.76 "Ki" "Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.61 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.55 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pirenzepine" 2200 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.66 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 6.92 "Ki" "Inhibition of carbachol-induced release of alpha-amylase from pancreatic acinar cells from that of rat ileum contained the muscarinic acetylcholine receptor M2 subtypes" "CHEMBL" "=" "Rattus norvegicus" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.28 "Ki" "Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates" "CHEMBL" "=" "Rattus norvegicus" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 7.55 "Ki" "Ability to displace [3H]N-methylscopolamine (NMS) from M3 receptor in rat submaxillary gland homogenate" "CHEMBL" "=" "Rattus norvegicus" "pirenzepine" 2200 "Muscarinic receptor M1" "GPCR" "Q8WMX0" "Q8WMX0_BOVIN" 8.44 "Ki" "Binding affinity against Muscarinic acetylcholine receptor M1 by displacement of [3H]pirenzepine in bovine striatum" "CHEMBL" "=" "Bos taurus" "pirenzepine" 2200 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 6.48 "Ki" "Inhibition of binding of [3H]N-Methyl-scopolamine to muscarinic acetylcholine receptor M4 of rat heart NG108-15 cells" "CHEMBL" "=" "Rattus norvegicus" "pirenzepine" 2200 "Muscarinic acetylcholine receptor" "GPCR" "Q8VH26" "GPM3" "Q8VH26_CAVPO" 6.96 "Ki" "Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]QNB from guinea pig parotid gland" "CHEMBL" "=" "Cavia porcellus" "pirenzepine" 2200 "Muscarinic acetylcholine receptor DM1" "GPCR" "P16395" "mAChR-A" "ACM1_DROME" 6.41 "Ki" "Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting" "CHEMBL" "=" "Drosophila melanogaster" "pirenzepine" 2200 "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" "Binding affinity against Muscarinic acetylcholine receptor was determined in homogenized rat cortex tissue using [3H]N-methylscopolamine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "pirenzepine" 2200 "Muscarinic acetylcholine receptor" "GPCR" "P12657|P32211|Q920H4|Q9ERZ3|Q9ERZ4" "Chrm1|Chrm4|Chrm5|Chrm3|Chrm2" "ACM1_MOUSE|ACM4_MOUSE|ACM5_MOUSE|ACM3_MOUSE|ACM2_MOUSE" 6.12 "IC50" "Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice" "CHEMBL" "=" "Mus musculus" "piretanide" 2201 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 8.3 "Kd" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01634" "INHIBITOR" "Tclin" "Homo sapiens" "piretanide" 2201 "Solute carrier family 12 member 2" "Transporter" "P55011" "SLC12A2" "S12A2_HUMAN" 5.62 "IC50" "IUPHAR" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01634" "INHIBITOR" "Tclin" "Homo sapiens" "piribedil" 2202 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "piribedil" 2202 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "piribedil" 2202 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "piribedil" 2202 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "piribedil" 2202 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.54 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "piribedil" 2202 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "piribedil" 2202 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "piribedil" 2202 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "piribedil" 2202 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.66 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "piribedil" 2202 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.21 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "piribedil" 2202 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.9 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20600305" "AGONIST" "Tclin" "Homo sapiens" "pirlindole" 2206 "Transcriptional enhancer factor TEF-3" "Transcription factor" "Q15561" "TEAD4" "TEAD4_HUMAN" 4.44 "IC50" "Inhibition of Gal4-fused TEAD4 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "pirlindole" 2206 "Transcriptional enhancer factor TEF-1" "Transcription factor" "P28347" "TEAD1" "TEAD1_HUMAN" 4.92 "Kd" "Binding affinity to TEAD1 (194 to 411 residues) (unknown origin) by ITC assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "pirlindole" 2206 "Transcriptional enhancer factor TEF-3" "Transcription factor" "Q15561" "TEAD4" "TEAD4_HUMAN" 4.44 "IC50" "Inhibition of Gal4-fused TEAD4 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "pirlindole" 2206 "Transcriptional enhancer factor TEF-4" "Transcription factor" "Q15562" "TEAD2" "TEAD2_HUMAN" 4.48 "IC50" "Inhibition of Gal4-fused TEAD2 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "pirlindole" 2206 "Transcriptional enhancer factor TEF-5" "Transcription factor" "Q99594" "TEAD3" "TEAD3_HUMAN" 4.36 "IC50" "Inhibition of Gal4-fused TEAD3 (unknown origin) interaction with YAP expressed in human HeLa cells assessed as basal transcriptional activity level after 6 hrs by nanoluciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "pirlindole" 2206 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 7.409 "Ki" "Monoamine oxidase A (human liver form) inhibitor induced spectral changes" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12781338" "https://pubmed.ncbi.nlm.nih.gov/9368911" "INHIBITOR" "Tclin" "Homo sapiens" "pirmenol" 2207 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "piroxicam" 2210 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL527" "INHIBITOR" "Tclin" "Homo sapiens" "piroxicam" 2210 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.18 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL527" "INHIBITOR" "Tclin" "Homo sapiens" "piroxicam" 2210 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.68 "IC50" "Tested for inhibitory activity against Prostaglandin G/H synthase 1 from ovine" "CHEMBL" "=" "Ovis aries" "piroxicam" 2210 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.19 "IC50" "Inhibition of bovine Prostaglandin G/H synthase after oral administration" "CHEMBL" "=" "Bos taurus" "piroxicam" 2210 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 7 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase in rat neutrophils" "CHEMBL" "=" "Rattus norvegicus" "pirprofen" 2213 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pirprofen" 2213 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "pitavastatin" 2214 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 8.168 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201753" "INHIBITOR" "Tclin" "Homo sapiens" "pitavastatin" 2214 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 4.88 "Kd" "Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pitavastatin" 2214 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 4.98 "IC50" "Inhibition of Holtzman-Sprague-Dawley rat liver HMG CoA reductase after 30 mins" "CHEMBL" "=" "Rattus norvegicus" "pizotifen" 2220 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.62 "Ki" "Binding affinity to dopamine D2 receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "pizotifen" 2220 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pizotifen" 2220 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.12 "Ki" "Binding affinity to 5-HT2A receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "pizotifen" 2220 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.7 "Ki" "Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "pizotifen" 2220 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.85 "Ki" "Binding affinity to 5-HT2C receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "pizotifen" 2220 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.6 "Ki" "Displacement of [3H]5-HT from human 5-HT7 receptor expressed in CHO cells by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "pizotifen" 2220 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.7 "Ki" "Binding affinity to muscarinic M1 receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "polythiazide" 2228 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 9.09 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1587" "INHIBITOR" "Tclin" "Homo sapiens" "pralidoxime" 2231 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.59 "Kd" "Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1420" "ACTIVATOR" "Tclin" "Homo sapiens" "pralmorelin" 2232 "Growth hormone secretagogue receptor type 1" "GPCR" "O08725" "Ghsr" "GHSR_RAT" 9.3 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "pralmorelin" 2232 "Growth hormone secretagogue receptor type 1" "GPCR" "Q92847" "GHSR" "GHSR_HUMAN" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15646370" "AGONIST" "Tclin" "Homo sapiens" "pramipexole" 2233 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 4 "Ki" "Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "pramipexole" 2233 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.6 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL301265" "AGONIST" "Tclin" "Homo sapiens" "pramipexole" 2233 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.121 "Ki" "PDSP" "Tclin" "Homo sapiens" "pramipexole" 2233 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.16 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pramipexole" 2233 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.93 "EC50" "Agonist activity at 5HT2A receptor (unknown origin) expressed in mouse NIH/3T3 cells by R-SAT assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "pramipexole" 2233 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.925 "Ki" "PDSP" "Tclin" "Homo sapiens" "pramipexole" 2233 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.2 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pramipexole" 2233 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.668 "EC50" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "pramipexole" 2233 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.571 "Ki" "PDSP" "Tclin" "Homo sapiens" "pramipexole" 2233 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 5.455 "Ki" "PDSP" "Tclin" "Homo sapiens" "pramipexole" 2233 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.78 "Ki" "PDSP" "Tclin" "Homo sapiens" "pramipexole" 2233 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.282 "Ki" "PDSP" "Tclin" "Homo sapiens" "pramipexole" 2233 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.31 "Ki" "in vitro high binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand." "CHEMBL" "=" "AGONIST" "Tchem" "Homo sapiens" "pramipexole" 2233 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.51 "Ki" "Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen" "CHEMBL" "=" "Rattus norvegicus" "pramipexole" 2233 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 8.8 "Kd" "Binding affinity of compound against Dopamine receptor D2 was measured using [3H]pramipexole in Bovine striatal membranes" "CHEMBL" "=" "Bos taurus" "pramipexole" 2233 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 9.35 "Ki" "Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins" "CHEMBL" "=" "Rattus norvegicus" "pramlintide" 2236 "Amylin receptor AMY2" "GPCR" "P30988|O60895" "CALCR|RAMP2" "CALCR_HUMAN|RAMP2_HUMAN" 8.64 "EC50" "HEK293S cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24169554" "https://pubmed.ncbi.nlm.nih.gov/15494035" "AGONIST" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "pramlintide" 2236 "Amylin receptor AMY1" "GPCR" "P30988|O60894" "CALCR|RAMP1" "CALCR_HUMAN|RAMP1_HUMAN" 9.45 "EC50" "HEK293S cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24169554" "https://pubmed.ncbi.nlm.nih.gov/24169554" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pramlintide" 2236 "Amylin receptor AMY3" "GPCR" "P30988|O60896" "CALCR|RAMP3" "CALCR_HUMAN|RAMP3_HUMAN" 9.05 "EC50" "HEK293S cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24169554" "https://pubmed.ncbi.nlm.nih.gov/24169554" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pranlukast" 2237 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 4.82 "EC50" "Partial agonist activity at human full-length FXR expressed in human HeLa cells co-expressing pSG5-RXR measured after 24 hrs by dual-glo luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "pranlukast" 2237 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.44 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "pranlukast" 2237 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 9.1 "Ki" "In vitro binding of Cysteinyl leukotriene receptor 1 to guinea pig lung membranes" "CHEMBL" "=" "Cavia porcellus" "pranlukast" 2237 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 5.15 "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" "pranlukast" 2237 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q13304" "GPR17" "GPR17_HUMAN" 5.39 "Ki" "Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "pranlukast" 2237 "Bile acid receptor" "Nuclear other" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 4.82 "EC50" "Partial agonist activity at human full-length FXR expressed in human HeLa cells co-expressing pSG5-RXR measured after 24 hrs by dual-glo luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "pranlukast" 2237 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 10 "IC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23859232" "ANTAGONIST" "Tclin" "Homo sapiens" "pranoprofen" 2238 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.51 "IC50" "Inhibitory activity against COX-1 from ram seminal vesicles" "CHEMBL" "=" "Ovis aries" "pranoprofen" 2238 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 6.41 "IC50" "Inhibitory activity against COX-1 from rat peritoneal leukocytes, measured by PGE-2 produced (enzyme immunoassay)" "CHEMBL" "=" "Rattus norvegicus" "pravastatin" 2239 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.52 "IC50" "Tested in vitro for the inhibition of HMG-CoA reductase from partially purified microsomal preparations." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL690" "INHIBITOR" "Tclin" "Homo sapiens" "pravastatin" 2239 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.38 "IC50" "In vitro HMG-CoA reductase inhibitory activity to inhibit sterol synthesis in cell free system in rat" "CHEMBL" "=" "Rattus norvegicus" "pravastatin" 2239 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 4.28 "Ki" "Inhibition of rat Oat1 expressed in pig LLC-PK11 cells" "CHEMBL" "=" "Rattus norvegicus" "prazepam" 2240 "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/CHEMBL969" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "praziquantel" 2241 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.01 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "praziquantel" 2241 "Glutathione S-transferase class-mu 26 kDa isozyme" "Enzyme" "P08515" "GST26_SCHJA" "WOMBAT-PK" "Schistosoma japonicum" "praziquantel" 2241 "High voltage-activated calcium channel beta subunit CavB1" "Ion channel" "Q95US7" "Q95US7_SCHMA" "Mechanism of Action; CHEMBL2363079; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL976" "BLOCKER" "Schistosoma mansoni" "praziquantel" 2241 "High voltage-activated calcium channel beta subunit CavB2" "Ion channel" "Q962H3" "Q962H3_SCHMA" "Mechanism of Action; CHEMBL2363080; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL976" "BLOCKER" "Schistosoma mansoni" "prednicarbate" 2243 "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/CHEMBL1200386" "AGONIST" "Tclin" "Homo sapiens" "prednisolone" 2245 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "AGONIST" "Tclin" "Homo sapiens" "prednisolone" 2245 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "prednisolone" 2245 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.54 "Ki" "Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone" 2245 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.6 "Ki" "Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone" 2245 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 5.68 "IC50" "Binding affinity to PR (unknown origin) by FP assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone" 2245 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.51 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "prednisolone" 2245 "Interleukin-6" "Cytokine" "P05231" "IL6" "IL6_HUMAN" 8.38 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone" 2245 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 6.6 "IC50" "Agonist activity at TGR5 in human whole blood assessed as inhibition of LPS-induced TNF-alpha release" "CHEMBL" "=" "Tchem" "Homo sapiens" "prednisolone" 2245 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.58 "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" "prednisolone" 2245 "Glutamine synthetase" "Enzyme" "P15104" "GLUL" "GLNA_HUMAN" 7.49 "EC50" "Ability to induce human glutamine synthetase in skeletal muscle cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "prednisolone" 2245 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.28 "IC50" "Modulation of glucocorticoid receptor in rat whole blood" "CHEMBL" "=" "Rattus norvegicus" "prednisolone" 2245 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 8.47 "EC50" "Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells" "CHEMBL" "=" "Mus musculus" "prednisolone" 2245 "Disintegrin and metalloproteinase domain-containing protein 17" "Unclassified" "P78536" "ADAM17" "ADA17_HUMAN" 7.83 "IC50" "CHEMBL" "=" "Homo sapiens" "prednisolone" 2245 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 5.68 "IC50" "Binding affinity to PR (unknown origin) by FP assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone acetate" 2247 "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/CHEMBL1152" "AGONIST" "Tclin" "Homo sapiens" "prednisolone tebutate" 2251 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.28 "IC50" "BindingDB_Patents: Fluorescence Polarization Ligand Binding Assay. The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-length glucocorticoid (GR) protein. Reagents for this assay are purchased from Invitrogen in a test kit. A fluorescent labeled GR ligand is used as a fluorescent tracer and test compounds compete with the fluorescent tracer for GR binding. The change in polarization value in the presence of test compounds is due to binding of test compounds to GR and is used to determine IC50 and relative binding affinity of test compounds for GR." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL131" "AGONIST" "Tclin" "Homo sapiens" "prednisolone tebutate" 2251 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.54 "Ki" "Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone tebutate" 2251 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 5.6 "Ki" "Displacement of [3H]-methyltrienolone from human androgen receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone tebutate" 2251 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 5.68 "IC50" "Binding affinity to PR (unknown origin) by FP assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone tebutate" 2251 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.51 "Ki" "Binding affinity to human CBG receptor (corticosteroid-binding globulins)" "CHEMBL" "=" "Tbio" "Homo sapiens" "prednisolone tebutate" 2251 "Interleukin-6" "Cytokine" "P05231" "IL6" "IL6_HUMAN" 8.38 "IC50" "Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-length glucocorticoid (GR) protein. Reagents for this assay are purchased from Invitrogen in a test kit. A fluorescent labeled GR ligand is used as a fluorescent tracer and test compounds compete with the fluorescent tracer for GR binding. The change in polarization value in the presence of test compounds is due to binding of test compounds to GR and is used to determine IC50 and relative binding affinity of test compounds for GR." "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisolone tebutate" 2251 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 6.6 "IC50" "Agonist activity at TGR5 in human whole blood assessed as inhibition of LPS-induced TNF-alpha release" "CHEMBL" "=" "Tchem" "Homo sapiens" "prednisolone tebutate" 2251 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 5.58 "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" "prednisolone tebutate" 2251 "Glutamine synthetase" "Enzyme" "P15104" "GLUL" "GLNA_HUMAN" 7.5 "EC50" "Ability to induce human glutamine synthetase in skeletal muscle cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "prednisolone tebutate" 2251 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 7.28 "IC50" "Modulation of glucocorticoid receptor in rat whole blood" "CHEMBL" "=" "Rattus norvegicus" "prednisolone tebutate" 2251 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 8.47 "EC50" "Inhibition of mouse glutamine synthetase by GR-mediated transactivation in C2C12 cells" "CHEMBL" "=" "Mus musculus" "prednisolone tebutate" 2251 "Disintegrin and metalloproteinase domain-containing protein 17" "Unclassified" "P78536" "ADAM17" "ADA17_HUMAN" 7.83 "IC50" "Fluorescence Polarization Ligand Binding Assay: The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-length glucocorticoid (GR) protein. Reagents for this assay are purchased from Invitrogen in a test kit. A fluorescent labeled GR ligand is used as a fluorescent tracer and test compounds compete with the fluorescent tracer for GR binding. The change in polarization value in the presence of test compounds is due to binding of test compounds to GR and is used to determine IC50 and relative binding affinity of test compounds for GR." "CHEMBL" "=" "Homo sapiens" "prednisolone tebutate" 2251 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 5.68 "IC50" "Binding affinity to PR (unknown origin) by FP assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "prednisone" 2253 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.772 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "prednisone" 2253 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL635" "AGONIST" "Tclin" "Homo sapiens" "prednisone" 2253 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "pregabalin" 2255 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 3.801 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "pregabalin" 2255 "Voltage-dependent calcium channel subunit alpha-2/delta-1" "Ion channel" "P54289" "CACNA2D1" "CA2D1_HUMAN" 7.097 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1059" "MODULATOR" "Tclin" "Homo sapiens" "pregabalin" 2255 "Uncharacterized protein; Voltage-dependent calcium channel alpha-2 delta subunit" "Ion channel" "O77773" "CACNA2D1" "O77773_PIG" 7.14 "IC50" "Displacement of [3H]gabapentin from alpha-2delta calcium channel in pig brain membrane" "CHEMBL" "=" "Sus scrofa" "pregabalin" 2255 "Voltage-dependent calcium channel subunit alpha-2/delta-2" "Ion channel" "Q9NY47" "CACNA2D2" "CA2D2_HUMAN" 7.26 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21651903" "https://pubmed.ncbi.nlm.nih.gov/21651903" "MODULATOR" "Tclin" "Homo sapiens" "pregnenolone succinate" 2256 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5.23 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "pregnenolone succinate" 2256 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 7.15 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "pregnenolone succinate" 2256 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" 4.09 "IC50" "Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 mins by Amplite fluorimetric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "prenalterol" 2258 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "prenalterol" 2258 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.97 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "prenylamine" 2261 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 6.52 "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" "prenylamine" 2261 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 6.68 "Kd" "Inhibition of [3H]nitrendipine binding to calcium channel of rat brain membranes." "CHEMBL" "=" "Rattus norvegicus" "prenylamine" 2261 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 6.3 "Kd" "Binding affinity to dansylated bovine testes CaM by fluorescence analysis in presence of calcium2+" "CHEMBL" "=" "Bos taurus" "pridinol" 2263 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.796 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pridinol" 2263 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.15 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pridinol" 2263 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.194 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pridinol" 2263 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.585 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "pridinol" 2263 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.799 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "prilocaine" 2265 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.27 "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" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1194" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "primaquine" 2266 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.668 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "primaquine" 2266 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.075 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "primaquine" 2266 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "primaquine" 2266 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.02 "IC50" "Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "primaquine" 2266 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" 5.12 "IC50" "Inhibition of human recombinant NQO2" "CHEMBL" "=" "Tchem" "Homo sapiens" "primaquine" 2266 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.739 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "primaquine" 2266 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.12 "IC50" "Inhibition of human recombinant MAOA assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "primaquine" 2266 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "primaquine" 2266 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 8.222 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "primaquine" 2266 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4 "IC50" "Inhibition of HIV1 reverse transcriptase assessed as reduction in [3H]dTTP incorporation using poly(rA)/oligo(dT) as template/primer after 30 mins by scintillation counting method" "CHEMBL" "=" "Human immunodeficiency virus 1" "primaquine" 2266 "Aryl hydrocarbon receptor" "Transcription factor" "P35869" "AHR" "AHR_HUMAN" 5.328 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "primaquine" 2266 "Chloroquine resistance transporter" "Transporter" "Q9N623" "CRT" "CRT_PLAFA" 4.17 "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" "primaquine" 2266 "Serine hydroxymethyltransferase, mitochondrial" "Enzyme" "P34897" "SHMT2" "GLYM_HUMAN" 6.36 "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" "primaquine" 2266 "Reverse transcriptase" "Unclassified" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4 "IC50" "Inhibition of HIV1 reverse transcriptase assessed as reduction in [3H]dTTP incorporation using poly(rA)/oligo(dT) as template/primer after 30 mins by scintillation counting method" "CHEMBL" "=" "Human immunodeficiency virus 1" "primidone" 2267 "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/CHEMBL856" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "primidone" 2267 "Transient receptor potential cation channel subfamily M member 3" "Ion channel" "Q9HCF6" "TRPM3" "TRPM3_HUMAN" 6.2 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "probenecid" 2268 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.37 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "probenecid" 2268 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.44 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "probenecid" 2268 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.9 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "probenecid" 2268 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 4.9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "INHIBITOR" "Tclin" "Homo sapiens" "probenecid" 2268 "Solute carrier family 22 member 8" "Transporter" "Q8TCC7" "SLC22A8" "S22A8_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "INHIBITOR" "Tclin" "Homo sapiens" "probenecid" 2268 "Solute carrier family 22 member 11" "Transporter" "Q9NSA0" "SLC22A11" "S22AB_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL897" "INHIBITOR" "Tclin" "Homo sapiens" "probenecid" 2268 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 4.3 "IC50" "Inhibition of human URAT1-mediated urate uptake in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "probenecid" 2268 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 5.2 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "probenecid" 2268 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 5.08 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "probenecid" 2268 "UDP-glucuronosyltransferase 1-7" "Enzyme" "Q9HAW7" "UGT1A7" "UD17_HUMAN" 4.02 "Ki" "Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A7" "CHEMBL" "=" "Tbio" "Homo sapiens" "probenecid" 2268 "Transient receptor potential cation channel subfamily V member 2" "Ion channel" "Q9WUD2" "Trpv2" "TRPV2_RAT" 4.5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" "probucol" 2269 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.686 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "probucol" 2269 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 4.85 "IC50" "Inhibition of 15-lipoxygenase by LMB assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "probucol" 2269 "ATP-binding cassette sub-family A member 1" "Transporter" "O95477" "ABCA1" "ABCA1_HUMAN" "Mechanism of Action; CHEMBL2362986; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL608" "INHIBITOR" "Tclin" "Homo sapiens" "probucol" 2269 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 6.37 "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" "probucol" 2269 "Trypsin" "Enzyme" "P00761" "TRYP_PIG" 4.47 "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" "procainamide" 2270 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 3.86 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "procainamide" 2270 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.812 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "procainamide" 2270 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "procainamide" 2270 "DNA (cytosine-5)-methyltransferase 1" "Enzyme" "P26358" "DNMT1" "DNMT1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "procainamide" 2270 "DNA (cytosine-5)-methyltransferase 3A" "Enzyme" "Q9Y6K1" "DNMT3A" "DNM3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "procainamide" 2270 "DNA (cytosine-5)-methyltransferase 3B" "Enzyme" "Q9UBC3" "DNMT3B" "DNM3B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "procainamide" 2270 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 6 "Ki" "Binding affinity against Acetylcholinesterase of purified calf forebrain (CFB)" "CHEMBL" "=" "Bos taurus" "procainamide" 2270 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A" "SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL605" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "procaine" 2271 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.569 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "procaine" 2271 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" 3.529 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "procaine" 2271 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL569" "BLOCKER" "Tclin" "Homo sapiens" "procaine" 2271 "Ryanodine receptor 1" "Ion channel" "P21817" "RYR1" "RYR1_HUMAN" 2.222 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "procaine" 2271 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 4.342 "IC50" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "procaterol" 2273 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.43 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3464" "AGONIST" "Tclin" "Homo sapiens" "procaterol" 2273 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.07 "Ki" "Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.712 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "prochlorperazine" 2274 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.108 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.764 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL728" "ANTAGONIST" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.201 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.638 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.82 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.207 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.402 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.229 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.824 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.187 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.914 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.907 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "prochlorperazine" 2274 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.622 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.324 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.611 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7279" "ANTAGONIST" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.723 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.613 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.956 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.493 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.721 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.801 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.921 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.86 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "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" "prochlorperazine" 2274 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.17 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "prochlorperazine" 2274 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.886 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "prochlorperazine" 2274 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.245 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "prochlorperazine" 2274 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.3 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "prochlorperazine" 2274 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.31 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.919 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "prochlorperazine" 2274 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.381 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "prochlorperazine" 2274 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.49 "IC50" "CHEMBL" "=" "Rattus norvegicus" "prochlorperazine" 2274 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.02 "IC50" "CHEMBL" "=" "Rattus norvegicus" "prochlorperazine" 2274 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.77 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "procyclidine" 2276 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.337 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL86715" "ANTAGONIST" "Tclin" "Homo sapiens" "procyclidine" 2276 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.602 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "procyclidine" 2276 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.907 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "procyclidine" 2276 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.155 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "procyclidine" 2276 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.62 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "procyclidine" 2276 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 5.17 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "procyclidine" 2276 "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" 5.77 "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" "progabide" 2278 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 4.398 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "progabide" 2278 "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" 4.85 "Ki" "Displacement of [3H]gamma-amino butyric acid from Gamma-aminobutyric acid (GABA-A) receptor of rat ganglion neurons" "CHEMBL" "=" "Rattus norvegicus" "progabide" 2278 "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" 4.4 "Ki" "Displacement of [3H]gamma-amino butyric acid from Gamma-aminobutyric acid (GABA-A) receptor of human cerebellar cortex preparation" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "progesterone" 2279 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.174 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "progesterone" 2279 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.59 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "progesterone" 2279 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.32 "IC50" "Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "progesterone" 2279 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.52 "Ki" "Displacement of Dexamethasone from human glucocorticoid receptor expressed in baculovirus SF-12 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "progesterone" 2279 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 11 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "progesterone" 2279 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "progesterone" 2279 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 8.07 "Ki" "Displacement of DHT from human androgen receptor expressed in baculovirus SF-12 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "progesterone" 2279 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.876 "ED50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL103" "AGONIST" "Tclin" "Homo sapiens" "progesterone" 2279 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 7.38 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "progesterone" 2279 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.94 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "progesterone" 2279 "Sterol O-acyltransferase 1" "Enzyme" "P35610" "SOAT1" "SOAT1_HUMAN" 4.77 "IC50" "In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase" "CHEMBL" "=" "Tchem" "Homo sapiens" "progesterone" 2279 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 4.7 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "Tchem" "Homo sapiens" "progesterone" 2279 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.81 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "progesterone" 2279 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 7.57 "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" "progesterone" 2279 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.441 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "progesterone" 2279 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.62 "Kd" "Displacement of [3H]pentazocine from sigma-1 opioid receptor in rat liver membranes after 1 hr by liquid scintillation spectrometric analysis" "CHEMBL" "=" "Rattus norvegicus" "progesterone" 2279 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 7.43 "IC50" "Inhibitory activity against Androgen receptor" "CHEMBL" "=" "Mus musculus" "progesterone" 2279 "Progesterone receptor" "Transcription factor" "P06186" "PGR" "PRGR_RABIT" 7.98 "Ki" "Inhibition of [3H]R5020 binding to rabbit uterine progesterone receptor" "CHEMBL" "=" "Oryctolagus cuniculus" "progesterone" 2279 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.35 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "progesterone" 2279 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 6.18 "Ki" "Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting" "CHEMBL" "=" "Cavia porcellus" "progesterone" 2279 "Steroid 5-alpha-reductase" "Enzyme" "P24008|P31214" "Srd5a1|Srd5a2" "S5A1_RAT|S5A2_RAT" 5.8 "IC50" "Inhibition of rat testosterone-5 alpha-reductase activity at pH 6.6 from rat" "CHEMBL" "=" "Rattus norvegicus" "progesterone" 2279 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 8.41 "Kd" "Equilibrium dissociation constant for rat uterine estrogen receptor binding [3H]estradiol" "CHEMBL" "=" "Rattus norvegicus" "progesterone" 2279 "Cation channel sperm-associated protein 1" "Ion channel" "Q8NEC5" "CATSPER1" "CTSR1_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry, 2-3 µM shows the saturating efficacy." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "progesterone" 2279 "Cation channel sperm-associated protein 2" "Ion channel" "Q96P56" "CATSPER2" "CTSR2_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry; 2-3 µM shows the saturating efficacy." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "progesterone" 2279 "Cation channel sperm-associated protein 3" "Ion channel" "Q86XQ3" "CATSPER3" "CTSR3_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry, 2-3µM shows the saturating efficacy." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "progesterone" 2279 "Cation channel sperm-associated protein 4" "Ion channel" "Q7RTX7" "CATSPER4" "CTSR4_HUMAN" 8.11 "EC50" "Patch clamp electrophysiology, kinetic rapid mixing fluorometry, 2-3µM shows the saturating efficacy." "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "progesterone" 2279 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 5.3 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "progesterone" 2279 "P2X purinoceptor 3" "Ion channel" "P56373" "P2RX3" "P2RX3_HUMAN" 5.8 "IC50" "Antagonist activity at human P2X3 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced calcium flux measured for 30 secs at 0.4 secs intervals by Flou-4-AM dye based fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "proglumide" 2281 "Histamine H2 receptor" "GPCR" "P25102" "Hrh2" "HRH2_RAT" 2.6 "IC50" "Inhibitory activity against binding of [125I](Nle11)-HG-13 to Histamine H2 receptor in vitro" "CHEMBL" "=" "Rattus norvegicus" "proglumide" 2281 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2863192" "https://pubmed.ncbi.nlm.nih.gov/2863192" "ANTAGONIST" "Tclin" "Homo sapiens" "proguanil" 2282 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q0IJY2" "Q0IJY2_PLAMA" "WOMBAT-PK" "Plasmodium malariae" "proguanil" 2282 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "O02604" "DRTS_PLAVI" "WOMBAT-PK" "Plasmodium vivax" "proguanil" 2282 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P13922" "DRTS_PLAFK" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1377" "INHIBITOR" "Plasmodium falciparum" "proguanil" 2282 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 5.27 "EC50" "Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay" "CHEMBL" "=" "Mus musculus" "promazine" 2284 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.909 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.704 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200469" "ANTAGONIST" "Tclin" "Homo sapiens" "promazine" 2284 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.9 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.943 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.337 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.886 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.529 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.796 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200469" "ANTAGONIST" "Tclin" "Homo sapiens" "promazine" 2284 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.656 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "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" "promazine" 2284 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.896 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "promazine" 2284 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.226 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promazine" 2284 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.799 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "promazine" 2284 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.551 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.825 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.412 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.056 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.377 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.337 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.796 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "promazine" 2284 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.432 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "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" "promazine" 2284 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.427 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promazine" 2284 "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" "promazine" 2284 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.76 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "promazine" 2284 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.23 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "Trypanosoma cruzi" "promazine" 2284 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.344 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "promazine" 2284 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.806 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "promazine" 2284 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.03 "IC50" "CHEMBL" "=" "Rattus norvegicus" "promazine" 2284 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.29 "IC50" "CHEMBL" "=" "Rattus norvegicus" "promazine" 2284 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 5.9 "IC50" "Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "promazine" 2284 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.95 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "promazine" 2284 "Dopamine receptor" "GPCR" "P20288|Q95136" "DRD2|DRD1" "DRD2_BOVIN|DRD1_BOVIN" 6.89 "IC50" "Compound was tested for inhibition of [3H]spiperone binding in membrane preparations obtained from calf caudate." "CHEMBL" "=" "Bos taurus" "promazine" 2284 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 5.98 "IC50" "Compound was tested for inhibition of [3H]spiperone binding in membrane preparations obtained from rat corpus striatum." "CHEMBL" "=" "Rattus norvegicus" "promazine" 2284 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.27 "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" "promazine" 2284 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.89 "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" "promegestone" 2285 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 9.4 "Kd" "Binding affinity to progesterone receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "promegestone" 2285 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.88 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "promethazine" 2286 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.863 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.609 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.592 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.921 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.12 "IC50" "Binding affinity to SERT (unknown origin) by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.376 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.829 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.77 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.367 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.188 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.948 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "promethazine" 2286 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "promethazine" 2286 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.62 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.721 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.62 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL643" "ANTAGONIST" "Tclin" "Homo sapiens" "promethazine" 2286 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.941 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 6.823 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "promethazine" 2286 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.479 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.921 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.382 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.975 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.48 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.292 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "promethazine" 2286 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.452 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.495 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "promethazine" 2286 "Major prion protein" "Surface antigen" "P04156" "PRNP" "PRIO_HUMAN" 5.1 "EC50" "Half maximal inhibition of Prion protein PrPsc formation was assayed in ScN2a cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "promethazine" 2286 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.45 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "promethazine" 2286 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.678 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "promethazine" 2286 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.1 "IC50" "CHEMBL" "=" "Rattus norvegicus" "promethazine" 2286 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.59 "IC50" "CHEMBL" "=" "Rattus norvegicus" "promethazine" 2286 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 4.75 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "promethazine" 2286 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.16 "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" "promethazine" 2286 "Chloroquine resistance transporter" "Transporter" "Q9N623" "CRT" "CRT_PLAFA" 4.07 "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" "promethazine" 2286 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 6.44 "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" "promethazine" 2286 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 4.3 "Kd" "Binding affinity to bovine brain CaM by FTPFACE analysis" "CHEMBL" "=" "Bos taurus" "promethazine" 2286 "Calmodulin-1" "Cytosolic other" "P0DP23" "CALM1" "CALM1_HUMAN" 4.22 "IC50" "Binding affinity to CaM (unknown origin) by equilibrium dialysis method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pronetalol" 2289 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.8 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "propafenone" 2291 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.688 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "ANTAGONIST" "Tclin" "Homo sapiens" "propafenone" 2291 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.444 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "DRUG MATRIX" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "propafenone" 2291 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.48 "IC50" "Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as tonic inhibition after 5 mins by patch clamp assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL631" "BLOCKER" "Tclin" "Homo sapiens" "propafenone" 2291 "Sodium channel subunit beta-1" "Ion channel" "Q07699" "SCN1B" "SCN1B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "propafenone" 2291 "Sodium channel subunit beta-2" "Ion channel" "O60939" "SCN2B" "SCN2B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "propafenone" 2291 "Sodium channel subunit beta-3" "Ion channel" "Q9NY72" "SCN3B" "SCN3B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "propafenone" 2291 "Sodium channel subunit beta-4" "Ion channel" "Q8IWT1" "SCN4B" "SCN4B_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "propafenone" 2291 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.96 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.097 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7.056 "ED50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "propafenone" 2291 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.524 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.029 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.728 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.237 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.697 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.063 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "propafenone" 2291 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.602 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "propafenone" 2291 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.498 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.829 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.337 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.604 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.483 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "propafenone" 2291 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 5.12 "IC50" "Inhibition of of human TREK1 expressed in CHO cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 4.4 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "propafenone" 2291 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 5.29 "IC50" "Inhibition of of TASK1 (unknown origin) expressed in CHO cells assessed as reduction in channel currents" "CHEMBL" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.95 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "propafenone" 2291 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.845 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "propafenone" 2291 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.849 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "propafenone" 2291 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.21 "IC50" "CHEMBL" "=" "Rattus norvegicus" "propafenone" 2291 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.79 "IC50" "CHEMBL" "=" "Rattus norvegicus" "propafenone" 2291 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.602 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "propafenone" 2291 "Sulfonylurea receptor 2, Kir6.2" "Ion channel" "O60706|Q14654" "ABCC9|KCNJ11" "ABCC9_HUMAN|KCJ11_HUMAN" 5.66 "IC50" "Inhibition of human kir6.2/SUR2A ion channel coexpressed in human HEK293 cells after 5 mins by patch clamp assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "propantheline" 2293 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.7 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1180725" "ANTAGONIST" "Tclin" "Homo sapiens" "propantheline" 2293 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.5 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1180725" "ANTAGONIST" "Tclin" "Homo sapiens" "propantheline" 2293 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1180725" "ANTAGONIST" "Tclin" "Homo sapiens" "propantheline" 2293 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 10.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "proparacaine" 2294 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "proparacaine" 2294 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.75 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "proparacaine" 2294 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1196" "BLOCKER" "Tclin" "Homo sapiens" "proparacaine" 2294 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.72 "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" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1196" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "propentofylline" 2296 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.19 "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" "propiomazine" 2298 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201068" "ANTAGONIST" "Tclin" "Homo sapiens" "propiomazine" 2298 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiomazine" 2298 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "propiomazine" 2298 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "propiram" 2299 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "WOMBAT-PK" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/7693433" "AGONIST" "Tclin" "Homo sapiens" "propofol" 2302 "Fatty-acid amide hydrolase 1" "Enzyme" "O00519" "FAAH" "FAAH1_HUMAN" 4.284 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "propofol" 2302 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.417 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propofol" 2302 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.031 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propofol" 2302 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.456 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propofol" 2302 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.218 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "propofol" 2302 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.005 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "propofol" 2302 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.71 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "propofol" 2302 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.91 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "propofol" 2302 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.119 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "propofol" 2302 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 4.85 "IC50" "Inhibition of rat FAAH" "CHEMBL" "=" "Rattus norvegicus" "propofol" 2302 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O88704" "Hcn1" "HCN1_MOUSE" 5.2 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "propofol" 2302 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 5.7 "EC50" "Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL526" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "propofol" 2302 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 5.39 "EC50" "GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=100 microIn vitro inhibition of IMPDH (isoform not specified, human and mouse assayed)" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1643" "INHIBITOR" "Tclin" "Homo sapiens" "ribavirin" 2373 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" 6 "IC50" "In vitro inhibition of IMPDH (isoform not specified, human and mouse assayed)" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ribavirin" 2373 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.18 "IC50" "Inhibition of human topoisomerase 1 activity assessed as DNA triplex formation and presence of supercoiled DNA by microplate assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ribavirin" 2373 "NS5B protein" "Enzyme" "Q8JXU8" "NS5B" "Q8JXU8_9HEPC" "Mechanism of Action; CHEMBL5375; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1643" "INHIBITOR" "Hepatitis C virus" "ribavirin" 2373 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 5.13 "Ki" "Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rifabutin" 2376 "DNA-directed RNA polymerase subunit beta" "Enzyme" "P9WGY9" "rpoB" "RPOB_MYCTU" 8 "Ki" "WOMBAT-PK" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "rifabutin" 2376 "Bacterial DNA-directed RNA polymerase" "Enzyme" "P0A7Z4|P0A800|P0A8T7|P0A8V2" "rpoA|rpoZ|rpoC|rpoB" "RPOA_ECOLI|RPOZ_ECOLI|RPOC_ECOLI|RPOB_ECOLI" "Mechanism of Action; CHEMBL2364672; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL444633" "INHIBITOR" "Escherichia coli (strain K12)" "rifampicin" 2377 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.64 "EC50" "Activation of PXR in human DPX2 cells after 24 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rifampicin" 2377 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" 7.52 "IC50" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "rifampicin" 2377 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.95 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "rifampicin" 2377 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 5.08 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "rifampicin" 2377 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" 5.96 "Ki" "Inhibition of atorvastatin transport by OATP1B1." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "rifampicin" 2377 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.52 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rifampicin" 2377 "DNA-directed RNA polymerase subunit beta" "Enzyme" "P0A8V2" "rpoB" "RPOB_ECOLI" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL374478" "INHIBITOR" "Escherichia coli (strain K12)" "rifampicin" 2377 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.53 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "rifampicin" 2377 "Solute carrier organic anion transporter family member 1A2" "Transporter" "P46721" "SLCO1A2" "SO1A2_HUMAN" 4.29 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "rifampicin" 2377 "Solute carrier organic anion transporter family member 1B3" "Transporter" "Q9NPD5" "SLCO1B3" "SO1B3_HUMAN" 5.8 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "rifampicin" 2377 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.46 "IC50" "CHEMBL" "=" "Rattus norvegicus" "rifampicin" 2377 "Glutathione S-transferase omega-1" "Unclassified" "P78417" "GSTO1" "GSTO1_HUMAN" 4.12 "IC50" "Inhibition of GSTO1-1 (unknown origin) by enzymatic assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rifapentine" 2378 "Bacterial DNA-directed RNA polymerase" "Enzyme" "P0A7Z4|P0A800|P0A8T7|P0A8V2" "rpoA|rpoZ|rpoC|rpoB" "RPOA_ECOLI|RPOZ_ECOLI|RPOC_ECOLI|RPOB_ECOLI" "Mechanism of Action; CHEMBL2364672; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1660" "INHIBITOR" "Escherichia coli (strain K12)" "rifaximin" 2379 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 5.66 "EC50" "Transactivation of human PXR expressed in HepG2 cells after 18 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rifaximin" 2379 "Bacterial DNA-directed RNA polymerase" "Enzyme" "P0A7Z4|P0A800|P0A8T7|P0A8V2" "rpoA|rpoZ|rpoC|rpoB" "RPOA_ECOLI|RPOZ_ECOLI|RPOC_ECOLI|RPOB_ECOLI" "Mechanism of Action; CHEMBL2364672; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1617" "INHIBITOR" "Escherichia coli (strain K12)" "rilmenidine" 2381 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.44 "Ki" "Displacement of [3H]RX821001 from human alpha2A adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "rilmenidine" 2381 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.05 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "rilmenidine" 2381 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.37 "Ki" "Displacement of [3H]RX821001 from human alpha2B adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "rilmenidine" 2381 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.9 "Ki" "Displacement of [3H]RX821001 from human alpha2C adrenoceptor expressed in CHO cells after 60 mins by gamma counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "rilmenidine" 2381 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.23 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "rilmenidine" 2381 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 7.95 "Ki" "Displacement of [3H]paraiodoclonidine from imidazoline I1 receptor in rat PC12 cells after 30 mins by gamma counter" "CHEMBL" "=" "Rattus norvegicus" "riluzole" 2382 "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/CHEMBL744" "BLOCKER" "Tclin" "Homo sapiens" "riluzole" 2382 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.3 "IC50" "Inhibition of currents via human Kv11.1 (hERG) channels expressed in HEK293 cells in whole-cell patch-clamp experiments." "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "riluzole" 2382 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.765 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "riluzole" 2382 "Intermediate conductance calcium-activated potassium channel protein 4" "Ion channel" "O15554" "KCNN4" "KCNN4_HUMAN" 5.7 "IC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "riluzole" 2382 "Glutamate receptor ionotropic, NMDA 3A" "Ion channel" "Q8TCU5" "GRIN3A" "NMD3A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "riluzole" 2382 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "Q9UGI6" "KCNN3" "KCNN3_HUMAN" 4.9 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "riluzole" 2382 "Pteridine reductase 1" "Enzyme" "Q01782" "PTR1" "PTR1_LEIMA" 5.4 "Ki" "Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysis" "CHEMBL" "=" "Leishmania major" "riluzole" 2382 "Small conductance calcium-activated potassium channel protein 1" "Ion channel" "Q92952" "KCNN1" "KCNN1_HUMAN" 4.68 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "riluzole" 2382 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 5.04 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "riluzole" 2382 "Small conductance calcium-activated potassium channel protein 2" "Ion channel" "P70604" "Kcnn2" "KCNN2_RAT" 4.89 "EC50" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" "rimantadine" 2383 "Matrix protein 2" "Ion channel" "P21430" "M" "M2_I60A0" "WOMBAT-PK" "Influenza A virus (strain A/Ann Arbor/6/1960 H2N2)" "rimantadine" 2383 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.36 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rimantadine" 2383 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.14 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rimantadine" 2383 "Matrix protein 2" "Ion channel" "P63231" "M" "M2_I72A2" "Mechanism of Action; CHEMBL2052; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL959" "INHIBITOR" "Influenza A virus (strain A/Udorn/307/1972 H3N2)" "rimantadine" 2383 "Polymerase acidic protein" "Enzyme" "P03433" "PA" "PA_I34A1" 4.96 "IC50" "Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with cells for 1 hr prior to viral infection for 1 hr followed by compound washout and subsequent compound addition measured after 48 hrs by hemagglutination test" "CHEMBL" "=" "Tclin" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "rimantadine" 2383 "Polymerase acidic protein" "Unclassified" "P03433" "PA" "PA_I34A1" 4.96 "IC50" "Inhibition of Influenza A virus (A/Puerto Rico/8/34(H1N1)) PA endonuclease infected in MDCK cells assessed as reduction in virus titer treated with cells for 1 hr prior to viral infection for 1 hr followed by compound washout and subsequent compound addition measured after 48 hrs by hemagglutination test" "CHEMBL" "=" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "rimantadine" 2383 "Matrix protein 2" "Unclassified" "P05778" "M" "M2_I000F" 7.8 "Kd" "Binding affinity to Influenza A Weybridge(H7N7) virus Matrix protein 2 by spectrophotometry" "CHEMBL" "=" "Influenza A virus" "rimantadine" 2383 "Matrix protein 2" "Unclassified" "P0DOF8" "M" "M2_I72A8" 6.29 "Kd" "Binding affinity to Influenza A virus A/Udorn/72 wild-type M2 proton channel by isothermal calorimetric titration" "CHEMBL" "=" "Influenza A virus" "rimexolone" 2384 "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/CHEMBL1200617" "AGONIST" "Tclin" "Homo sapiens" "ripazepam" 2386 "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" 6.17 "IC50" "Displacement of [3H]flunitrazepam from GABA-A benzodiazepine receptor in synaptic membranes of rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "risedronic acid" 2387 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 9.44 "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/CHEMBL923" "INHIBITOR" "Tclin" "Homo sapiens" "risedronic acid" 2387 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 7.77 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "Leishmania donovani" "risedronic acid" 2387 "Farnesyl diphosphate synthase" "Enzyme" "Q197X6" "FPPS" "Q197X6_TOXGO" 7.13 "IC50" "Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting" "CHEMBL" "=" "Toxoplasma gondii" "risedronic acid" 2387 "Farnesyl diphosphate synthase" "Enzyme" "Q8WS26" "Q8WS26_TRYCR" 7.57 "IC50" "Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting" "CHEMBL" "=" "Trypanosoma cruzi" "levisoprenaline" 2388 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.1 "EC50" "Agonist activity at human beta1 adrenoceptor transfected in CHO cells assessed as cyclic AMP accumulation after 45 mins by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "levisoprenaline" 2388 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 10.3 "IC50" "Mitogenesis inhibition method: To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 cells/well. After 48 hours, the wells were rinsed twice and the medium was replaced with fresh medium containing 10 uL of drug in sterile water. After another 24 hours of incubation at 37° C., 0.25 uCi of [3H]-thymidine was added to each well. The cells were incubated for an additional 2 hours at 37° C., at which point 10 uL of 10x trypsin was added, and the resuspended cells were harvested using a Tomtec 96 harvester through glass fiber filters." "CHEMBL" "=" "Tclin" "Homo sapiens" "levisoprenaline" 2388 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.4 "EC50" "Agonist activity at human beta3 adrenoceptor transfected in CHO cells assessed as cyclic AMP accumulation after 45 mins by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "levisoprenaline" 2388 "Beta-2 adrenergic receptor" "GPCR" "P04274" "ADRB2" "ADRB2_MESAU" 6.87 "Ki" "Displacement of [125I](-)-iodopindolol from adrenergic beta2 receptor in Syrian hamster DDT1 MF2 cells" "CHEMBL" "=" "Mesocricetus auratus" "levisoprenaline" 2388 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 6.66 "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" "levisoprenaline" 2388 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 6.66 "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" "risperidone" 2389 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "risperidone" 2389 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "risperidone" 2389 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.68 "Ki" "Binding affinity against dopamine receptor D1" "CHEMBL" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.49 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.37 "Ki" "Binding affinity measured at the sigma receptor by the inhibition of [3H]-3-PPP binding to guinea pig cerebellum using unlabeled 3-PPP for nonspecific binding." "CHEMBL" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.788 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.85 "Ki" "Binding affinity to human SERT" "CHEMBL" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.443 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.364 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL85" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.42 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.65 "Ki" "Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.47 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.553 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.77 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.07 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.023 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "risperidone" 2389 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.481 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.921 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.55 "Ki" "Binding affinity to human cloned muscarinic M1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.432 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.538 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.49 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.495 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.278 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "risperidone" 2389 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.48 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.49 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.687 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 5.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "risperidone" 2389 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "risperidone" 2389 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.967 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "risperidone" 2389 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.89 "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" "risperidone" 2389 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.66 "Ki" "Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Cavia porcellus" "risperidone" 2389 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.74 "Ki" "Ability to displace [3H]spiperone from D2 dopamine receptor isolated from the striata of male Wistar rats" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.89 "Ki" "Ability to displace [3H]-8-OH-DPAT from serotonergic 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.82 "Ki" "Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.85 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 4.66 "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" "risperidone" 2389 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.66 "Ki" "Affinity for Dopamine receptor D1" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 7.6 "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" "risperidone" 2389 "D(2) dopamine receptor" "GPCR" "P61168" "Drd2" "DRD2_MOUSE" 7.64 "IC50" "Inhibition of mouse Dopamine receptor D2" "CHEMBL" "=" "Mus musculus" "risperidone" 2389 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 7.84 "Ki" "Displacement of [3H]mesulergine from 5HT2C receptor in rat cerebral cortex after 15 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.37 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 1A receptor from mice." "CHEMBL" "=" "Mus musculus" "risperidone" 2389 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 7.1 "IC50" "Displacement of [3H]mepyramine from H1R in rat brain" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.01 "Ki" "Displacement of [3H]7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "risperidone" 2389 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 4.55 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.96 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "risperidone" 2389 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.8 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "risperidone" 2389 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.47 "Ki" "The binding affinity was measured on serotonin 5-hydroxytryptamine 1 receptor in rat brain tissue" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.85 "Ki" "Ability to displace [3H]ketanserin from serotonergic 5-hydroxytryptamine 2 receptor" "CHEMBL" "=" "Rattus norvegicus" "risperidone" 2389 "Serotonin 2 (5-HT2) receptor" "GPCR" "P34968|P35363|Q02152" "Htr2c|Htr2a|Htr2b" "5HT2C_MOUSE|5HT2A_MOUSE|5HT2B_MOUSE" 8.82 "IC50" "Inhibitory activity against serotonin 5-hydroxytryptamine 2 receptor from mice." "CHEMBL" "=" "Mus musculus" "risperidone" 2389 "Histone H1.0" "Nuclear other" "P07305" "H1F0" "H10_HUMAN" 7.85 "Ki" "Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors." "CHEMBL" "=" "Homo sapiens" "ritodrine" 2390 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.62 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL785" "AGONIST" "Tclin" "Homo sapiens" "ritodrine" 2390 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.72 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ritonavir" 2391 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 4.575 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ritonavir" 2391 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.55 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ritonavir" 2391 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.83 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ritonavir" 2391 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.301 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ritonavir" 2391 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "ritonavir" 2391 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.263 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ritonavir" 2391 "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" "ritonavir" 2391 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 5.303 "Ki" "DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ritonavir" 2391 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 9.23 "Ki" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "ritonavir" 2391 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 7.119 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ritonavir" 2391 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.47 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ritonavir" 2391 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.058 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ritonavir" 2391 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 6.92 "Ki" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ritonavir" 2391 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 10.82 "Ki" "Inhibition constant of ritonavir towards HIV protease was determined" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL163" "INHIBITOR" "Human immunodeficiency virus 1" "ritonavir" 2391 "UDP-glucuronosyltransferase 1-1" "Enzyme" "P22309" "UGT1A1" "UD11_HUMAN" 5.77 "IC50" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "ritonavir" 2391 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.61 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ritonavir" 2391 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 7.1 "IC50" "Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ritonavir" 2391 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.36 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ritonavir" 2391 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.47 "Ki" "Inhibition of HIV1 protease" "CHEMBL" "=" "Human immunodeficiency virus 1" "rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.43 "IC50" "Inhibition of human erythrocytes BChE" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6602" "INHIBITOR" "Tclin" "Homo sapiens" "rivastigmine" 2392 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.52 "IC50" "Inhibition of human recombinant butyrylcholinesterase" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6602" "INHIBITOR" "Tclin" "Homo sapiens" "rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 5.95 "IC50" "Inhibition of Swiss albino mouse RBC AChE after 30 mins by Ellman method" "CHEMBL" "=" "Mus musculus" "rivastigmine" 2392 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 6.46 "IC50" "In vitro inhibitory concentration against butyrylcholinesterase was determined using rat serum homogenate" "CHEMBL" "=" "Rattus norvegicus" "rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 5.74 "IC50" "In vitro inhibitory concentration against rat cortex acetylcholinesterase" "CHEMBL" "=" "Rattus norvegicus" "rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.38 "IC50" "Inhibition of electric eel AChE preincubated for 5 mins by Ellman's method" "CHEMBL" "=" "Electrophorus electricus" "rivastigmine" 2392 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 6.21 "IC50" "Inhibition of bovine AChE after 120 mins by Ellman's method" "CHEMBL" "=" "Bos taurus" "rivastigmine" 2392 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 5.8 "IC50" "Inhibition of mouse serum BChE" "CHEMBL" "=" "Mus musculus" "rivastigmine" 2392 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 6.8 "IC50" "Inhibition of equine BuChE after 120 mins by Ellman's method" "CHEMBL" "=" "Equus caballus" "rivastigmine" 2392 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.08 "IC50" "Inhibition of horse serum BChE preincubated for 5 mins by Ellman's method" "CHEMBL" "=" "Equus caballus" "rizatriptan" 2393 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.85 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "rizatriptan" 2393 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.1 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand." "CHEMBL" "=" "Tclin" "Homo sapiens" "rizatriptan" 2393 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.1 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand." "CHEMBL" "=" "Tclin" "Homo sapiens" "rizatriptan" 2393 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201032" "AGONIST" "Tclin" "Homo sapiens" "rizatriptan" 2393 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201032" "AGONIST" "Tclin" "Homo sapiens" "rizatriptan" 2393 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 4.854 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "rizatriptan" 2393 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "rizatriptan" 2393 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "rizatriptan" 2393 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.2 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from pig cortex membrane using [3H]mesulergine as radioligand." "CHEMBL" "=" "Rattus norvegicus" "rizatriptan" 2393 "5-hydroxytryptamine receptor 1D" "GPCR" "P79400" "HTR1D" "5HT1D_PIG" 7.3 "IC50" "Binding activity against 5-hydroxytryptamine 2C receptor from human brain cortex using [3H]mesulergine as radioligand." "CHEMBL" "=" "Sus scrofa" "rizatriptan" 2393 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 5.4 "IC50" "Binding activity radioligand." "CHEMBL" "=" "Rattus norvegicus" "rocuronium" 2396 "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/CHEMBL1200648" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "rocuronium" 2396 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.09 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.51 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL122" "INHIBITOR" "Tclin" "Homo sapiens" "rofecoxib" 2397 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.77 "IC50" "In vitro potency against human Prostaglandin G/H synthase 1 in U937 microsomes. " "CHEMBL" "=" "Tclin" "Homo sapiens" "rofecoxib" 2397 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 7.466 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "rofecoxib" 2397 "Cytochrome c oxidase subunit 2" "Enzyme" "P00403" "MT-CO2" "COX2_HUMAN" 5.52 "IC50" "Inhibition of human COX2 assessed as reduction in PGF2alpha production by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.92 "IC50" "In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells" "CHEMBL" "=" "Mus musculus" "rofecoxib" 2397 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.63 "IC50" "Inhibition of sheep COX1 by spectrophotometry" "CHEMBL" "=" "Ovis aries" "rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "O62698" "PTGS2" "PGH2_BOVIN" 6.37 "IC50" "In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2)" "CHEMBL" "=" "Bos taurus" "rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "P35355" "Ptgs2" "PGH2_RAT" 6.12 "IC50" "In vitro inhibitory concentration against rat Prostaglandin G/H synthase 2" "CHEMBL" "=" "Rattus norvegicus" "rofecoxib" 2397 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 4.94 "IC50" "In vitro inhibitory concentration against rat prostaglandin G/H synthase 1" "CHEMBL" "=" "Rattus norvegicus" "rofecoxib" 2397 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.52 "IC50" "Inhibition of ovine COX2" "CHEMBL" "=" "Ovis aries" "rolitetracycline" 2399 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 4 "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" "rolitetracycline" 2399 "Integrase" "Enzyme" "Q76353" "Q76353_9HIV1" 4.55 "IC50" "Inhibition of HIV1 recombinant integrase 3'-processing activity" "CHEMBL" "=" "Human immunodeficiency virus 1" "rolitetracycline" 2399 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 4 "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" "rolitetracycline" 2399 "DNA repair protein RAD52 homolog" "Nuclear other" "P43351" "RAD52" "RAD52_HUMAN" 4.54 "IC50" "Inhibition of RAD52 (unknown origin) assessed as reduction in RAD52-ssDNA interaction using Cy3-dT30-Cy5 ssDNA by FRET assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "ropinirole" 2402 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.49 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.14 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7295" "AGONIST" "Tclin" "Homo sapiens" "ropinirole" 2402 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.73 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.54 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.85 "EC50" "Agonist activity at 5HT2A receptor (unknown origin) expressed in mouse NIH/3T3 cells by R-SAT assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.42 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.82 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.12 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.43 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tclin" "Homo sapiens" "ropinirole" 2402 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 4.38 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "ropinirole" 2402 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 5.86 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.92 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ropinirole" 2402 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.07 "Ki" "WOMBAT-PK" "=" "AGONIST" "Tchem" "Homo sapiens" "ropinirole" 2402 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.57 "Ki" "Displacement of [3H]spiperone from rat D2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "ropinirole" 2402 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 5.17 "IC50" "Displacement of [3H]spiroperidol from homogenized bovine pituitary Dopamine receptor D2" "CHEMBL" "=" "Bos taurus" "ropinirole" 2402 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.53 "Ki" "Displacement of [3H]spiperone from rat D3 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "ropivacaine" 2403 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.56 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Sodium channel protein type 3 subunit alpha" "Ion channel" "Q9NY46" "SCN3A" "SCN3A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "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/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1077896" "BLOCKER" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 4.28 "IC50" "Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ropivacaine" 2403 "Potassium channel subfamily K member 3" "Ion channel" "O14649" "KCNK3" "KCNK3_HUMAN" 4.28 "IC50" "Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.53 "IC50" "Inhibition of human ERG expressed in CHO cells by patch clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.391 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.19 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "rosiglitazone" 2405 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.38 "Ki" "Competitive inhibition of human MAOB expressed in Pichia pastoris" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.56 "Ki" "Competitive inhibition of human MAOA expressed in Pichia pastoris" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 7.41 "EC50" "Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells co-transfected with Gal4 by luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 7.04 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL121" "AGONIST" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 4.82 "Kd" "Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 5 "Ki" "Binding affinity against Retinoic acid receptor gamma was determined in vitro by using [3H]ATRA as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.449 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "rosiglitazone" 2405 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.44 "EC50" "In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)" "CHEMBL" "=" "Tchem" "Homo sapiens" "rosiglitazone" 2405 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.6 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "rosiglitazone" 2405 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.24 "Ki" "Competitive inhibition of rat MAOB expressed in Pichia pastoris" "CHEMBL" "=" "Rattus norvegicus" "rosiglitazone" 2405 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.49 "Ki" "Competitive inhibition of rat MAOA expressed in Pichia pastoris" "CHEMBL" "=" "Rattus norvegicus" "rosiglitazone" 2405 "Peroxisome proliferator-activated receptor alpha" "Transcription factor" "P23204" "Ppara" "PPARA_MOUSE" 7.1 "IC50" "Activation of mouse liver PPARalpha" "CHEMBL" "=" "Mus musculus" "rosiglitazone" 2405 "Peroxisome proliferator-activated receptor gamma" "Transcription factor" "P37238" "Pparg" "PPARG_MOUSE" 7.52 "EC50" "CHEMBL" "=" "Mus musculus" "rosiglitazone" 2405 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 9.64 "Ki" "Displacement of [125I]-SI-Ang-2 from AT1 receptor in Rattus norvegicus Sprague-Dawley (rat) liver membranes after 2 hr" "CHEMBL" "=" "Rattus norvegicus" "rosiglitazone" 2405 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 4.51 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "rosiglitazone" 2405 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.29 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "rosiglitazone" 2405 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.4 "IC50" "CHEMBL" "=" "Rattus norvegicus" "rosiglitazone" 2405 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 7.51 "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" "rosiglitazone" 2405 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "B0K020" "Cisd1" "CISD1_RAT" 5.96 "IC50" "Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "rosiglitazone" 2405 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "P23204" "Ppara" "PPARA_MOUSE" 7.1 "IC50" "Activation of mouse liver PPARalpha" "CHEMBL" "=" "Mus musculus" "rosiglitazone" 2405 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.53 "IC50" "Inhibition of human ERG expressed in CHO cells by patch clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rosiglitazone" 2405 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.29 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "rosiglitazone" 2405 "CDGSH iron-sulfur domain-containing protein 2" "Unclassified" "Q8N5K1" "CISD2" "CISD2_HUMAN" 5.64 "IC50" "Binding affinity to recombinant human N-terminal His6-tagged NAF1 expressed in Escherichia coli by scintillation proximity assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "rosuvastatin" 2406 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 9.05 "Ki" "Inhibitory constant against HMG-CoA reductase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1744447" "INHIBITOR" "Tclin" "Homo sapiens" "rosuvastatin" 2406 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.68 "IC50" "Inhibition of HMG-CoA reductase in rat liver microsomes" "CHEMBL" "=" "Rattus norvegicus" "rosuvastatin" 2406 "Phosphodiesterase 6D" "Enzyme" "O43924" "PDE6D" "PDE6D_HUMAN" 5.9 "Kd" "Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rotigotine" 2407 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "rotigotine" 2407 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 10.22 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=941" "AGONIST" "Tclin" "Homo sapiens" "rotigotine" 2407 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "rotigotine" 2407 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "rotigotine" 2407 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.26 "Ki" "Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells." "CHEMBL" "=" "AGONIST" "Tchem" "Homo sapiens" "rotigotine" 2407 "D(1A) dopamine receptor" "GPCR" "Q95136" "DRD1" "DRD1_BOVIN" 6.3 "Ki" "Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390" "CHEMBL" "=" "Bos taurus" "rotigotine" 2407 "D(2) dopamine receptor" "GPCR" "P20288" "DRD2" "DRD2_BOVIN" 7.82 "Ki" "Binding affinity of compound for Dopamine receptor D2 using [3H]N-0437" "CHEMBL" "=" "Bos taurus" "roxatidine acetate" 2408 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.6 "Kd" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1717223" "ANTAGONIST" "Tclin" "Homo sapiens" "roxithromycin" 2410 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" "roxithromycin" 2410 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 6.2 "IC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "roxithromycin" 2410 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.261 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "rupatadine" 2413 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.41 "IC50" "Inhibitory concentration against histamine H1 receptor" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07407" "ANTAGONIST" "Tclin" "Homo sapiens" "rupatadine" 2413 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 5.43 "IC50" "Inhibitory concentration against platelet activating factor receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "ademetionine" 2414 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 4.92 "IC50" "Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "ademetionine" 2414 "S-adenosylmethionine decarboxylase proenzyme" "Enzyme" "P17708" "Amd1" "DCAM_RAT" 4.22 "Ki" "In vitro inhibitory activity against S-adenosyl-L-methionine decarboxylase using liver from rat in presence of 1 mM putrescine" "CHEMBL" "=" "Rattus norvegicus" "ademetionine" 2414 "Met repressor" "Unclassified" "C3SIU2" "metJ" "C3SIU2_ECOLX" 8.4 "Kd" "Binding affinity to Escherichia coli metJ in presence of operator DNA complex by filter binding study" "CHEMBL" "=" "Escherichia coli" "ademetionine" 2414 "Phenylethanolamine N-methyltransferase" "Enzyme" "P11086" "PNMT" "PNMT_HUMAN" 5.32 "Kd" "Activity of human wild type PNMT assessed as phenylethanolamine methylation" "CHEMBL" "=" "Tchem" "Homo sapiens" "ademetionine" 2414 "Protein-beta-aspartate methyltransferase" "Enzyme" "P22061" "PCMT1" "PIMT_HUMAN" 4.32 "Ki" "Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction" "CHEMBL" "=" "Tbio" "Homo sapiens" "salicylic acid" 2416 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.15 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salicylic acid" 2416 "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" "salicylic acid" 2416 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.95 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salicylic acid" 2416 "Salicylic acid-binding protein 2" "Enzyme" "Q6RYA0" "SABP2" "SABP2_TOBAC" "WOMBAT-PK" "Nicotiana tabacum" "salicylic acid" 2416 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.1 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salicylic acid" 2416 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salicylic acid" 2416 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.09 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salicylic acid" 2416 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 4.92 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salicylic acid" 2416 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.3 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salicylic acid" 2416 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.17 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "salicylic acid" 2416 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4 "IC50" "Inhibition of mushroom tyrosinase after 10 mins" "CHEMBL" "=" "Agaricus bisporus" "salicylic acid" 2416 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.14 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "salicylic acid" 2416 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.36 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "salicylic acid" 2416 "High mobility group protein B1" "Nuclear other" "P09429" "HMGB1" "HMGB1_HUMAN" 6 "Kd" "Binding affinity to recombinant HMGB1 box A (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "salicylic acid" 2416 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9.8 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "salmeterol" 2419 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.1 "Ki" "Displacement of [3H]CGP12177 from human beta-1 adrenoceptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "salmeterol" 2419 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.41 "Ki" "Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1263" "AGONIST" "Tclin" "Homo sapiens" "salmeterol" 2419 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 4.5 "Ki" "Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "salmeterol" 2419 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.98 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "salmeterol" 2419 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.004 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "salmeterol" 2419 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6 "EC50" "Agonist activity at human recombinant beta3 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "salmeterol" 2419 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.5 "EC50" "Agonist activity at beta2 receptor in guinea pig trachea assessed as slow onset of inhibition of electrically stimulated contraction" "CHEMBL" "=" "Cavia porcellus" "salmeterol" 2419 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 6.26 "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" "salmeterol" 2419 "Beta-1 adrenergic receptor" "GPCR" "P34971" "Adrb1" "ADRB1_MOUSE" 6.26 "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" "saquinavir" 2422 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.408 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.824 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.921 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "saquinavir" 2422 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.612 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.282 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" 4.699 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "saquinavir" 2422 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.555 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.556 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "saquinavir" 2422 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.003 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 5.153 "Ki" "DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "saquinavir" 2422 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 10.187 "Ki" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "saquinavir" 2422 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.661 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "saquinavir" 2422 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.684 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "saquinavir" 2422 "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/CHEMBL114" "INHIBITOR" "Human immunodeficiency virus 1" "saquinavir" 2422 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.37 "IC50" "CHEMBL" "=" "Rattus norvegicus" "saquinavir" 2422 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 9.3 "IC50" "Compound was evaluated for inhibitory activity against HIV-2 protease" "CHEMBL" "=" "Human rhinovirus sp" "saquinavir" 2422 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 10.4 "Ki" "Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus 1" "saquinavir" 2422 "Chloroquine resistance transporter" "Transporter" "Q9N623" "CRT" "CRT_PLAFA" 4.89 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs" "CHEMBL" "=" "Plasmodium falciparum" "saquinavir" 2422 "Protease" "Unclassified" "O90781" "HIV-1 protease" "O90781_9PLVG" 9.66 "Ki" "Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assay" "CHEMBL" "=" "Human immunodeficiency virus" "saquinavir" 2422 "Protease" "Unclassified" "Q9YQ30" "HIV-1 protease" "Q9YQ30_9PLVG" 8.54 "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" "sarpogrelate" 2423 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "sarpogrelate" 2423 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "sarpogrelate" 2423 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "sarpogrelate" 2423 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 7.75 "Ki" "Inhibition of 5-hydroxytryptamine 2 induced vasoconstriction of rat caudal artery." "CHEMBL" "=" "Rattus norvegicus" "scopolamine" 2424 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2251240" "ANTAGONIST" "Tclin" "Homo sapiens" "scopolamine" 2424 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.86 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "scopolamine" 2424 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "scopolamine" 2424 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.37 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "scopolamine" 2424 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.75 "Ki" "Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "scopolamine" 2424 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.52 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine" "CHEMBL" "=" "Rattus norvegicus" "scopolamine" 2424 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.28 "Ki" "Binding affinity towards rat Muscarinic acetylcholine receptor M1 was determined" "CHEMBL" "=" "Rattus norvegicus" "scopolamine" 2424 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.19 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine" "CHEMBL" "=" "Rattus norvegicus" "scopolamine" 2424 "Muscarinic receptor M1" "GPCR" "Q8WMX0" "Q8WMX0_BOVIN" 9.39 "Ki" "Binding affinity towards Muscarinic acetylcholine receptor M1 was determined in calf brain membrane" "CHEMBL" "=" "Bos taurus" "scopolamine" 2424 "Muscarinic acetylcholine receptor DM1" "GPCR" "P16395" "mAChR-A" "ACM1_DROME" 9.15 "Ki" "Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting" "CHEMBL" "=" "Drosophila melanogaster" "scopolamine" 2424 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 10.1 "Ki" "Inhibition of [3H]pirenzepine binding to muscarinic receptor in rat cortical homogenates" "CHEMBL" "=" "Rattus norvegicus" "secnidazole" 2427 "3-oxoacyl-[acyl-carrier-protein] synthase 3" "Enzyme" "C3TDZ2" "fabH" "C3TDZ2_ECOLX" 4.55 "IC50" "Inhibition of N-terminal His-tagged Escherichia coli FabH expressed in Escherichia coli BL21 (DE3) using [3H]acetyl-coA after 25 mins by liquid scintillation counting" "CHEMBL" "=" "Escherichia coli" "secobarbital" 2428 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.578 "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" "secobarbital" 2428 "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/CHEMBL447" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "selegiline" 2429 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.171 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "selegiline" 2429 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.764 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "selegiline" 2429 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.26 "Ki" "Irreversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200904" "INHIBITOR" "Tclin" "Homo sapiens" "selegiline" 2429 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.04 "Ki" "Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "selegiline" 2429 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.87 "Ki" "Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot" "CHEMBL" "=" "Rattus norvegicus" "selegiline" 2429 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.98 "Ki" "Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry" "CHEMBL" "=" "Rattus norvegicus" "selegiline" 2429 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 5.42 "Ki" "Inhibition of bovine brain mitochondria MAOA by fluorometric assay" "CHEMBL" "=" "Bos taurus" "selegiline" 2429 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 6.01 "Ki" "Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria" "CHEMBL" "=" "Bos taurus" "selegiline" 2429 "Monoamine oxidase" "Enzyme" "P19643|P21396" "Maob|Maoa" "AOFB_RAT|AOFA_RAT" 7.89 "IC50" "In vitro inhibition of Monoamine oxidase at rat hyphalamic mitochondrial PEA by displacing 2.5 uM of [14C]PEA." "CHEMBL" "=" "Rattus norvegicus" "seratrodast" 2432 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 8.13 "IC50" "In vitro concentration that reduced specific binding of [3H]U-440619 to guinea pig platelet receptor, TXA2 by 50%" "CHEMBL" "=" "Tclin" "Homo sapiens" "sermorelin" 2433 "Growth hormone-releasing hormone receptor" "GPCR" "Q02643" "GHRHR" "GHRHR_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6998" "AGONIST" "Tclin" "Homo sapiens" "sertaconazole" 2434 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201196" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "sertaconazole" 2434 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.08 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "sertindole" 2435 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "sertindole" 2435 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "sertindole" 2435 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.68 "Ki" "Binding affinity towards human Dopamine receptor D1" "CHEMBL" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.194 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.57 "IC50" "Inhibition of human cloned ERG expressed in CHO cells assessed as inhibition of potassium channel current by automated patch clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.19 "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" "sertindole" 2435 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.48 "Ki" "Ability to displace [3H]5-CT (2.0 nM) from HeLa cells of human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.3 "Ki" "Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.553 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.745 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.347 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.59 "Ki" "Ability to displace [3H]spiperone (0.3 nM) from CHO cells of human Dopamine receptor D3" "CHEMBL" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.29 "Ki" "Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.57 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.25 "Ki" "Ability to displace [3H]5-CT (1.5 nM) from HeLa cells of human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "sertindole" 2435 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.347 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertindole" 2435 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.96 "Ki" "Displacement of [3H]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "sertindole" 2435 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.47 "IC50" "Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 9.18 "Ki" "Displacement of [3H]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.35 "Ki" "Displacement of [3H]spiperone (0.5 nM) from rat corpus striatum dopamine D2 receptor" "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.7 "Ki" "Displacement of [3H]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors" "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.92 "Ki" "Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1" "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 9.29 "Ki" "Displacement of [3H]mesulergine (0.5 nM) from rat 5-hydroxytryptamine 2C receptor expressed in SR-3T3 cells" "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.43 "Ki" "Displacement of [3H]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells" "CHEMBL" "=" "Bos taurus" "sertindole" 2435 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.48 "Ki" "Displacement of [3H]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells" "CHEMBL" "=" "Mesocricetus auratus" "sertindole" 2435 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 8.85 "Ki" "Ability to displace [3H]prazosin (0.25 nM) from whole brain of rat alpha-1 adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.41 "IC50" "Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor from rat cortical membranes." "CHEMBL" "=" "Rattus norvegicus" "sertindole" 2435 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.35 "Ki" "Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9469684" "ANTAGONIST" "Tclin" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.22 "Ki" "Binding affinity towards Serotonin 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9469684" "ANTAGONIST" "Tclin" "Homo sapiens" "sertindole" 2435 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 9.7 "Ki" "Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10991983" "INVERSE AGONIST" "Tclin" "Homo sapiens" "sertraline" 2436 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.965 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.24 "Ki" "Binding affinity to sigma 1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.167 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 9.54 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL809" "INHIBITOR" "Tclin" "Homo sapiens" "sertraline" 2436 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.38 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.106 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.666 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.246 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.863 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.082 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.128 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.678 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.886 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.854 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.721 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.187 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 7.6 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sertraline" 2436 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sertraline" 2436 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.475 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "sertraline" 2436 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.365 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sertraline" 2436 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.885 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "sertraline" 2436 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 9.07 "Ki" "Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "sertraline" 2436 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.11 "Ki" "Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "sertraline" 2436 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.8 "Ki" "Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "sertraline" 2436 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.57 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "Aliivibrio fischeri" "setastine" 2437 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1982751" "ANTAGONIST" "Tclin" "Homo sapiens" "sevoflurane" 2439 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200694" "POSITIVE MODULATOR" "Tclin" "Homo sapiens" "sevoflurane" 2439 "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/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" "sevoflurane" 2439 "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/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" "sevoflurane" 2439 "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/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" "sevoflurane" 2439 "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/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" "sevoflurane" 2439 "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/CHEMBL1200694" "OPENER" "Tclin" "Homo sapiens" "sevoflurane" 2439 "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/CHEMBL1200694" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "sibutramine" 2440 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.526 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3989830" "INHIBITOR" "Tclin" "Homo sapiens" "sibutramine" 2440 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.263 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3989830" "INHIBITOR" "Tclin" "Homo sapiens" "sibutramine" 2440 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.962 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sibutramine" 2440 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "sibutramine" 2440 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.026 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3989830" "INHIBITOR" "Tclin" "Homo sapiens" "sibutramine" 2440 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q9UK17" "KCND3" "KCND3_HUMAN" 4.7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sibutramine" 2440 "Cytochrome P450 2B6" "Enzyme" "P20813" "CYP2B6" "CP2B6_HUMAN" 5.79 "IC50" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "sibutramine" 2440 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.538 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "sibutramine" 2440 "Potassium voltage-gated channel subfamily D member 3" "Ion channel" "Q62897" "Kcnd3" "KCND3_RAT" 4.7 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "sildenafil" 2441 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.7 "Ki" "Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.48 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.06 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" 5.92 "Ki" "Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL192" "INHIBITOR" "Tclin" "Homo sapiens" "sildenafil" 2441 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P16499" "PDE6A" "PDE6A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "sildenafil" 2441 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 5.64 "IC50" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "Tchem" "Homo sapiens" "sildenafil" 2441 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 5.51 "IC50" "Inhibitory concentration against human phosphodiesterase 10" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 4.7 "IC50" "Inhibition of human PDE4D" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 4.2 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A" "Enzyme" "Q13946" "PDE7A" "PDE7A_HUMAN" 5.33 "IC50" "Inhibition of human recombinant PDE7A1 at 1 uM by [3H]cGMP based tritium scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'" "Enzyme" "P51160" "PDE6C" "PDE6C_HUMAN" 7.41 "IC50" "Inhibition of human recombinant PDE6C at 1 uM by [3H]cGMP based tritium scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A" "Enzyme" "O76083" "PDE9A" "PDE9A_HUMAN" 5.47 "IC50" "Inhibition of Phosphodiesterase 9" "CHEMBL" "=" "Tchem" "Homo sapiens" "sildenafil" 2441 "High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A" "Enzyme" "O60658" "PDE8A" "PDE8A_HUMAN" 4 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "sildenafil" 2441 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.094 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O54735" "Pde5a" "PDE5A_RAT" 8.74 "Ki" "Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells" "CHEMBL" "=" "Rattus norvegicus" "sildenafil" 2441 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 5.04 "IC50" "Inhibition of bovine aorta PDE3 (Phosphodiesterase 3)" "CHEMBL" "=" "Bos taurus" "sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "Q28156" "PDE5A" "PDE5A_BOVIN" 8.22 "IC50" "Inhibition of bovine aorta PDE5 (Phosphodiesterase 5)" "CHEMBL" "=" "Bos taurus" "sildenafil" 2441 "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'" "Enzyme" "P16586" "PDE6C" "PDE6C_BOVIN" 7.48 "IC50" "Inhibition of bovine cone PDE6" "CHEMBL" "=" "Bos taurus" "sildenafil" 2441 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P11541" "PDE6A" "PDE6A_BOVIN" 6.85 "IC50" "Inhibition of bovine retina PDE6" "CHEMBL" "=" "Bos taurus" "sildenafil" 2441 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.35 "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" "sildenafil" 2441 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O77746" "PDE5A" "PDE5A_CANFA" 9 "IC50" "Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung" "CHEMBL" "=" "Canis familiaris" "sildenafil" 2441 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 5.15 "IC50" "Inhibitory concentration against phosphodiesterase 3 from human platelet" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sildenafil" 2441 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.11 "IC50" "Inhibition of human recombinant PDE4 (Phosphodiesterase 4)" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sildenafil" 2441 "Phosphodiesterase 4" "Enzyme" "P14270|P14644|P14646|P54748" "Pde4d|Pde4c|Pde4b|Pde4a" "PDE4D_RAT|PDE4C_RAT|PDE4B_RAT|PDE4A_RAT" 5.34 "IC50" "Inhibitory concentration against phosphodiesterase 4 (PDE4) from rat kidney" "CHEMBL" "=" "Rattus norvegicus" "sildenafil" 2441 "Phosphodiesterase 1" "Enzyme" "P54750|Q01064|Q14123" "PDE1A|PDE1B|PDE1C" "PDE1A_HUMAN|PDE1B_HUMAN|PDE1C_HUMAN" 6.57 "IC50" "Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sildenafil" 2441 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 6.4 "IC50" "Inhibition of Phosphodiesterase 1" "CHEMBL" "=" "Bos taurus" "sildenafil" 2441 "Phosphodiesterase 6" "Enzyme" "P04972|P11541|P16586|P22571|P23439|Q95142" "PDE6G|PDE6A|PDE6C|PDE6H|PDE6B|PDE6D" "CNRG_BOVIN|PDE6A_BOVIN|PDE6C_BOVIN|CNCG_BOVIN|PDE6B_BOVIN|PDE6D_BOVIN" 7.7 "IC50" "Inhibition of phosphodiesterase 6 from bovine retina" "CHEMBL" "=" "Bos taurus" "sildenafil" 2441 "Phosphodiesterase 1" "Enzyme" "Q01066|Q63421|Q9EPR9" "Pde1b|Pde1c|Pde1a" "PDE1B_RAT|PDE1C_RAT|Q9EPR9_RAT" 6.59 "IC50" "Inhibition of Phosphodiesterase 1 from rat liver" "CHEMBL" "=" "Rattus norvegicus" "sildenafil" 2441 "Solute carrier organic anion transporter family member 1B3" "Transporter" "Q9NPD5" "SLCO1B3" "SO1B3_HUMAN" 6.1 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "sildenafil" 2441 "Phosphodiesterase 2A" "Enzyme" "P14099" "PDE2A" "PDE2A_BOVIN" 4.37 "IC50" "Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland" "CHEMBL" "=" "Bos taurus" "silymarin" 2443 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 4.68 "IC50" "Inhibition of urokinase amidolytic activity (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.6 "Ki" "Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.83 "Ki" "Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "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" "silymarin" 2443 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.99 "Ki" "Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.04 "Ki" "Inhibition of human carbonic anhydrase 12 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.73 "Kd" "Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 5a after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.34 "Ki" "Inhibition of human carbonic anhydrase 5b after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.33 "Ki" "Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.19 "Ki" "Inhibition of human carbonic anhydrase 3 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.01 "Ki" "Inhibition of human carbonic anhydrase 6 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.93 "Ki" "Inhibition of human carbonic anhydrase 14 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 6.16 "Ki" "Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry" "CHEMBL" "=" "Agaricus bisporus" "silymarin" 2443 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.32 "Ki" "Inhibition of human carbonic anhydrase 13 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "silymarin" 2443 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.19 "Ki" "Inhibition of mouse carbonic anhydrase 15 after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "silymarin" 2443 "Xanthine dehydrogenase/oxidase" "Enzyme" "P22985" "Xdh" "XDH_RAT" 4.1 "IC50" "Inhibition of rat liver xanthine oxidase after 2 hrs by spectrophotometry" "CHEMBL" "=" "Rattus norvegicus" "silymarin" 2443 "P-glycoprotein 3" "Transporter" "P21447" "Abcb1a" "MDR1A_MOUSE" 5.17 "Kd" "Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein" "CHEMBL" "=" "Mus musculus" "silymarin" 2443 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 6.16 "Ki" "Inhibition of monophenolase activity of mushroom tyrosinase assessed as inhibition constant for free enzyme-inhibitor complex by measuring reduction in dopachrome formation using L-Tyrosine substrate by UV-Vis spectrophotometry" "CHEMBL" "=" "Agaricus bisporus" "silymarin" 2443 "Solute carrier family 2, facilitated glucose transporter member 4" "Transporter" "P14142" "Slc2a4" "GLUT4_MOUSE" 4.22 "Ki" "Competitive inhibition of GLUT4 in mouse 3T3L1 cells assessed as reduction in insulin-stimulated [3H]-2-deoxy-D-glucose uptake preincubated for 20 mins followed by measured for [3H]-2-deoxy-D-glucose addition measured after 1 to 10 mins by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Mus musculus" "simvastatin" 2445 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "simvastatin" 2445 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 7.77 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1064" "INHIBITOR" "Tclin" "Homo sapiens" "simvastatin" 2445 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.74 "Ki" "Inhibition of Electrophorus electricus (electric eel) acetylcholinesterase (AChE) assessed as inhibition of ATCh hydrolysis by Ellman method" "CHEMBL" "=" "Electrophorus electricus" "simvastatin" 2445 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P51639" "Hmgcr" "HMDH_RAT" 8.37 "IC50" "Inhibition of HMGR in rat hepatic microsomes assessed as conversion of [14C]HMG-CoA to [14C]mevalonic acid" "CHEMBL" "=" "Rattus norvegicus" "simvastatin" 2445 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.12 "Ki" "Inhibition of Equus caballus (horse) serum butyrylcholinesterase (BChE) assessed as inhibition of BTCh hydrolysis by Ellman method" "CHEMBL" "=" "Equus caballus" "simvastatin" 2445 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "Q10283" "hmg1" "HMDH_SCHPO" 4.02 "IC50" "Inhibition of Schizosaccharomyces pombe HMG-CoA reductase by spectrophotometry" "CHEMBL" "=" "Schizosaccharomyces pombe (strain 972 / ATCC 24843)" "sirolimus" 2446 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 6.431 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "sirolimus" 2446 "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" "sirolimus" 2446 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.2 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 8.96 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL413" "INHIBITOR" "Tclin" "Homo sapiens" "sirolimus" 2446 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sirolimus" 2446 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 10 "IC50" "Inhibition of mTOR kinase expressed in human HEK293 cells by Western blot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP3" "Enzyme" "Q00688" "FKBP3" "FKBP3_HUMAN" 9.7 "Kd" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "sirolimus" 2446 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.398 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP1B" "Enzyme" "P68106" "FKBP1B" "FKB1B_HUMAN" 9.7 "Kd" "CHEMBL" "=" "Tchem" "Homo sapiens" "sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP5" "Enzyme" "Q13451" "FKBP5" "FKBP5_HUMAN" 8.52 "Ki" "Binding affinity to human FKBP51 by competitive fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sirolimus" 2446 "Programmed cell death protein 4" "Nuclear other" "Q53EL6" "PDCD4" "PDCD4_HUMAN" 7.3 "EC50" "Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required for 50% recovery of Pdcd4-luciferase signal incubated for 8 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sirolimus" 2446 "Eukaryotic translation initiation factor 4E" "Nuclear other" "P06730" "EIF4E" "IF4E_HUMAN" 9.3 "Kd" "Binding affinity to purified elF4E" "CHEMBL" "=" "Tchem" "Homo sapiens" "sirolimus" 2446 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P26883" "Fkbp1a" "FKB1A_MOUSE" 9 "IC50" "Inhibition of FKBP12 in mouse T cells assessed as reduction in cell proliferation" "CHEMBL" "=" "Mus musculus" "sisomicin" 2447 "30S ribosomal protein S12" "Cytosolic other" "P0A7S3" "rpsL" "RS12_ECOLI" "Mechanism of Action for decitabine" "WOMBAT-PK" "Escherichia coli (strain K12)" "sitagliptin" 2448 "Dipeptidyl peptidase 4" "Enzyme" "P14740" "Dpp4" "DPP4_RAT" 7.48 "IC50" "Inhibition of Wistar rat plasma DPP4" "CHEMBL" "=" "Rattus norvegicus" "sitagliptin" 2448 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 4.96 "IC50" "Inhibition of human plasma ACE" "CHEMBL" "=" "Tclin" "Homo sapiens" "sitagliptin" 2448 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 7.774 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1422" "INHIBITOR" "Tclin" "Homo sapiens" "sitagliptin" 2448 "Dipeptidyl peptidase 4" "Enzyme" "P28843" "Dpp4" "DPP4_MOUSE" 7.16 "IC50" "Inhibition of mouse DPP4 at 3 mg/kg" "CHEMBL" "=" "Mus musculus" "sitagliptin" 2448 "Prolyl endopeptidase FAP" "Enzyme" "Q12884" "FAP" "SEPR_HUMAN" 5.23 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "sitagliptin" 2448 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 4.96 "IC50" "Inhibition of human DPP8 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "sitagliptin" 2448 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 4.7 "IC50" "Inhibition of human DPP9 expressed in HEK293 cells using Ala-Pro-p-nitroanilide hydrochloride salt as substrate preincubated for 10 mins prior to addition of substrate measured after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "sitagliptin" 2448 "Dipeptidyl peptidase 2" "Enzyme" "Q9UHL4" "DPP7" "DPP2_HUMAN" 4.22 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "sitagliptin" 2448 "Dipeptidyl peptidase IV" "Unclassified" "O31048" "DPP IV" "O31048_PORGN" 4.75 "IC50" "Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate" "CHEMBL" "=" "Porphyromonas gingivalis" "sitafloxacin" 2449 "DNA gyrase subunit B" "Enzyme" "P0AES7" "gyrB" "GYRB_ECO57" "WOMBAT-PK" "Escherichia coli O157:H7" "sitafloxacin" 2449 "DNA topoisomerase 4 subunit A" "Enzyme" "P72525" "parC" "PARC_STRPN" "WOMBAT-PK" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "sitosterol" 2451 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.56 "IC50" "Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate after 30 mins by spectrophotometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "sitosterol" 2451 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.34 "Ki" "Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "sitosterol" 2451 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.57 "Ki" "Uncompetitive inhibition of human thrombin using T1637 as substrate by Michaelis-Menten plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "sitosterol" 2451 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 4.54 "IC50" "Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sitosterol" 2451 "Nuclear factor NF-kappa-B p105 subunit" "Cytosolic other" "P19838" "NFKB1" "NFKB1_HUMAN" 5.6 "IC50" "Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA" "CHEMBL" "=" "Tclin" "Homo sapiens" "sitosterol" 2451 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.59 "IC50" "Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method" "CHEMBL" "=" "Electrophorus electricus" "sitosterol" 2451 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.05 "IC50" "Inhibition of MAO-A in Sprague-Dawley rat brain mitochondrial fraction after 10 mins in presence of [14C]5-hydroxytryptamine by liquid scintillation analysis" "CHEMBL" "=" "Rattus norvegicus" "sitosterol" 2451 "DNA polymerase beta" "Enzyme" "P06746" "POLB" "DPOLB_HUMAN" 4.58 "IC50" "Inhibition of DNA polymerase beta lyase activity by deoxyribose phosphate excision assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sitosterol" 2451 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.59 "IC50" "Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's method" "CHEMBL" "=" "Electrophorus electricus" "sitosterol" 2451 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.05 "IC50" "Inhibition of MAO-A in Sprague-Dawley rat brain mitochondrial fraction after 10 mins in presence of [14C]5-hydroxytryptamine by liquid scintillation analysis" "CHEMBL" "=" "Rattus norvegicus" "sitosterol" 2451 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.34 "Ki" "Competitive inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "sitosterol" 2451 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.56 "IC50" "Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using benzylamine as substrate after 30 mins by spectrophotometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "sivelestat" 2452 "Neutrophil elastase" "Enzyme" "P08246" "ELANE" "ELNE_HUMAN" 6.7 "Ki" "Binding affinity against Elastase." "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6441" "Tclin" "Homo sapiens" "sivelestat" 2452 "Myeloblastin" "Enzyme" "P24158" "PRTN3" "PRTN3_HUMAN" 6.47 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "sivelestat" 2452 "Neutrophil elastase" "Enzyme" "Q3UP87" "Elane" "ELNE_MOUSE" 6.84 "IC50" "CHEMBL" "=" "Mus musculus" "solifenacin" 2457 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.2 "IC50" "Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "solifenacin" 2457 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.24 "IC50" "Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "ANTAGONIST" "Tclin" "Homo sapiens" "solifenacin" 2457 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.88 "IC50" "Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1734" "ANTAGONIST" "Tclin" "Homo sapiens" "solifenacin" 2457 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "solifenacin" 2457 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "solifenacin" 2457 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 6.92 "Ki" "Binding affinity for rat heart muscarinic acetylcholine receptor M2 using [3H]quinuclidinyl benzilate" "CHEMBL" "=" "Rattus norvegicus" "solifenacin" 2457 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8 "Ki" "Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepine" "CHEMBL" "=" "Rattus norvegicus" "solifenacin" 2457 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8 "Ki" "Binding affinity for rat salivary gland muscarinic acetylcholine receptor M3 using [3H]N-methylscopolamine" "CHEMBL" "=" "Rattus norvegicus" "sorafenib" 2459 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.14 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.93 "Ki" "Displacement of [3H]8-OH-DPAT from 5HT1A receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.71 "Ki" "Displacement of [3H]Ketanserin from 5HT2A receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.25 "Ki" "Displacement of [3H]LSD from 5HT2B receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.38 "Ki" "Displacement of [3H]LSD from 5HT2C receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.21 "Ki" "Displacement of [3H]LSD from 5HT6 receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.15 "Ki" "Displacement of [3H]LSD from 5HT7 receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.48 "Ki" "Displacement of [3H]LSD from 5HT5A receptor after 1.5 hrs by scintillation counter" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.43 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.89 "Kd" "Average Binding Constant for ABL1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.8 "Kd" "Binding constant for KIT(V559D) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.53 "IC50" "Inhibition of EGFR (unknown origin) incubated for 1 hr assessed as luminescence changes using ATP by ADP-Glo Kinase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.09 "Ki" "Inhibition of recombinant human CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.41 "IC50" "Inhibition of recombinant c-Src by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.57 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.08 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 5.7 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 8.22 "Ki" "Inhibition of C-RAF" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 7.66 "Ki" "Inhibition of B-Raf" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.35 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.13 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.51 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 10.68 "Ki" "Inhibition of human N-terminal His-tagged non-phosphorylated VEGFR2 after 60 mins by activity based 100 fold dilution assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 7.8 "Kd" "Average Binding Constant for FLT4; NA=Not Active at 10 uM" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1336" "INHIBITOR" "Tclin" "Homo sapiens" "sorafenib" 2459 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.55 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.21 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 5.06 "Kd" "Binding constant for CDK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.28 "IC50" "Inhibition of recombinant INSR by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "sorafenib" 2459 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 5.38 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.07 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.44 "Kd" "Average Binding Constant for NTRK1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.89 "Kd" "Average Binding Constant for MYLK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.54 "Kd" "Binding affinity to CSK" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.68 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 6.02 "Kd" "Average Binding Constant for EPHA8; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.24 "IC50" "Inhibition of human c-MET incubated for 2 hrs by ELISA method" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 5.52 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "LIM domain kinase 1" "Kinase" "P53667" "LIMK1" "LIMK1_HUMAN" 5.8 "Kd" "Binding constant for full-length LIMK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.6 "Kd" "Average Binding Constant for FGFR1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent-like kinase 5" "Kinase" "Q00535" "CDK5" "CDK5_HUMAN" 5.21 "Kd" "Average Binding Constant for CDK5; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.85 "Kd" "Average Binding Constant for STK10; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 5.47 "Kd" "Average Binding Constant for STK18; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.68 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 5.46 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 5.89 "Kd" "Average Binding Constant for ABL2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 11" "Kinase" "Q15759" "MAPK11" "MK11_HUMAN" 6.7 "Kd" "Average Binding Constant for p38-beta; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 6.44 "Kd" "Average Binding Constant for EPHA5; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 5.89 "Kd" "Average Binding Constant for EPHA4; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.57 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 7.74 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.62 "Kd" "Average Binding Constant for EPHA6; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.1 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 12" "Kinase" "P53778" "MAPK12" "MK12_HUMAN" 5.12 "Kd" "Binding constant for full-length p38-gamma" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.11 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.42 "IC50" "Inhibition of recombinant GST-tagged Aurora A expressed in Sf9 insect cells after 90 mins by Kinase-Glo assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.42 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.72 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.59 "Kd" "Average Binding Constant for p38-alpha; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 6.36 "Kd" "Average Binding Constant for FRK; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 5.12 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 5.8 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.89 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.77 "Kd" "Average Binding Constant for EPHB1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 6.17 "Kd" "Average Binding Constant for EPHA7; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.89 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.44 "Kd" "Average Binding Constant for JNK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 8.82 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.74 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 15" "Kinase" "Q96Q40" "CDK15" "CDK15_HUMAN" 5.54 "Kd" "Binding affinity to PFTAIRE2" "CHEMBL" "=" "Tdark" "Homo sapiens" "sorafenib" 2459 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 7.92 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carbonate conversion to 6-methoxy-2-naphthaldehyde preincubated for 5 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "TGF-beta receptor type-2" "Kinase" "P37173" "TGFBR2" "TGFR2_HUMAN" 5.16 "Kd" "Binding constant for TGFBR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.96 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.35 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.68 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 5.72 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.85 "Kd" "Binding constant for full-length CDK7" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.12 "Kd" "Binding constant for RPS6KA6(Kin.Dom.2 - N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 5.64 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 13" "Kinase" "O15264" "MAPK13" "MK13_HUMAN" 5.18 "Kd" "Binding affinity to p38-delta" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 17" "Kinase" "Q00537" "CDK17" "CDK17_HUMAN" 5.8 "Kd" "Binding constant for full-length PCTK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 5.54 "Kd" "Binding constant for full-length PFTK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 8.2 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 7.17 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 6.22 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "LIM domain kinase 2" "Kinase" "P53671" "LIMK2" "LIMK2_HUMAN" 5.02 "Kd" "Binding constant for LIMK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 6.64 "Kd" "Binding constant for full-length MKNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 6.19 "Kd" "Binding constant for full-length NLK" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 5.62 "Kd" "Binding constant for full-length STK33" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.55 "Kd" "Binding constant for full-length TNNI3K" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 8.18 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.32 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.36 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 5.32 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.44 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 6.6 "Kd" "Binding constant for CDK11 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 8" "Kinase" "P49336" "CDK8" "CDK8_HUMAN" 6.51 "Kd" "Binding constant for CDK8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.89 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.21 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.15 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase 3" "Kinase" "Q00526" "CDK3" "CDK3_HUMAN" 5.42 "Kd" "Binding constant for CDK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 5.01 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.51 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase 15" "Kinase" "Q8TD08" "MAPK15" "MK15_HUMAN" 7.34 "Kd" "Binding constant for ERK8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 5.82 "IC50" "Inhibition of RIPK1 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Tyrosine-protein kinase ABL1" "Kinase" "P00520" "Abl1" "ABL1_MOUSE" 6.65 "IC50" "Inhibition of mouse recombinant N-terminal His6-tagged Abl by radiometric kinase assay" "CHEMBL" "=" "Mus musculus" "sorafenib" 2459 "Casein kinase I isoform alpha" "Kinase" "P48729" "CSNK1A1" "KC1A_HUMAN" 6.6 "IC50" "Inhibition of recombinant CK1 by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 6.89 "Kd" "Binding affinity to CDKL2" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Cyclin-dependent kinase-like 3" "Kinase" "Q8IVW4" "CDKL3" "CDKL3_HUMAN" 6.31 "Kd" "Binding affinity to CDKL3" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.62 "Kd" "Binding affinity to EPHB6" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 5.77 "Kd" "Binding affinity to HIPK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 6.41 "Kd" "Binding affinity to HIPK3" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 8.57 "Kd" "Binding affinity to HIPK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 6.16 "Kd" "Binding affinity to TAK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 6.27 "Kd" "Binding affinity to TAO1" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.57 "Kd" "Binding affinity to TAOK3" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7 "Kd" "Binding affinity to YSK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 5.96 "Kd" "Binding affinity to HIPK1" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 6.27 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sorafenib" 2459 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.72 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 5.02 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.66 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "Plasmodium falciparum" "sorafenib" 2459 "Vascular endothelial growth factor receptor 2" "Kinase" "P35918" "Kdr" "VGFR2_MOUSE" 7.82 "IC50" "Inhibition of mouse FLK1 (785 to 1367 residues) expressed in sf9 cells after 1.5 to 2 hrs by TR-FRET assay" "CHEMBL" "=" "Mus musculus" "sorafenib" 2459 "Vascular endothelial growth factor receptor 2" "Kinase" "Q5GIT4" "kdr" "VGFR2_DANRE" 5.59 "IC50" "Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by fluorescence microscopic analysis" "CHEMBL" "=" "Danio rerio" "sorafenib" 2459 "Serine/threonine-protein kinase A-Raf" "Kinase" "P10398" "ARAF" "ARAF_HUMAN" 8.15 "IC50" "Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter binding method" "CHEMBL" "=" "Homo sapiens" "sorafenib" 2459 "Purine nucleoside phosphorylase" "Enzyme" "Q8T9Z7" "PNP" "Q8T9Z7_PLAFA" 7.9 "IC50" "CHEMBL" "=" "Plasmodium falciparum" "sorafenib" 2459 "Vascular endothelial growth factor receptor 3" "Kinase" "P35917" "Flt4" "VGFR3_MOUSE" 7.7 "IC50" "IUPHAR" "=" "INHIBITOR" "Mus musculus" "sorafenib" 2459 "Platelet-derived growth factor receptor beta" "Kinase" "P05622" "Pdgfrb" "PGFRB_MOUSE" 7.24 "IC50" "IUPHAR" "=" "INHIBITOR" "Mus musculus" "sorafenib" 2459 "Receptor-interacting serine/threonine-protein kinase 3" "Kinase" "Q9Y572" "RIPK3" "RIPK3_HUMAN" 4.84 "IC50" "Inhibition of human full length N-terminal GST-tagged RIPK3 expressed in baculovirus infected sf9 insect cells assessed as reduction in MBP phosphorylation using MBP as substrate by kinase-Glo luminescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.24 "IC50" "Inhibition of human c-MET incubated for 2 hrs by ELISA method" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Serine/threonine-protein kinase B-raf" "Kinase" "P28028" "Braf" "BRAF_MOUSE" 6.89 "IC50" "Inhibition of mouse full length GST-tagged BRAF V600E mutant using recombinant human full length N-terminal His-tagged MEK1 as substrate preincubated for 1 hr followed by substrate addition measured after 25 mins by Nu-page gel-based phosphor screen analysis" "CHEMBL" "=" "Mus musculus" "sorafenib" 2459 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.09 "Ki" "Inhibition of recombinant human CA7 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sorafenib" 2459 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 5.82 "IC50" "Inhibition of RIPK1 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorafenib" 2459 "Receptor-interacting serine/threonine-protein kinase 3" "Kinase" "Q9Y572" "RIPK3" "RIPK3_HUMAN" 4.84 "IC50" "Inhibition of human full length N-terminal GST-tagged RIPK3 expressed in baculovirus infected sf9 insect cells assessed as reduction in MBP phosphorylation using MBP as substrate by kinase-Glo luminescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sorivudine" 2463 "Thymidine kinase" "Kinase" "Q9QNF7" "TK" "KITH_HHV1" 5.44 "IC50" "Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation" "CHEMBL" "=" "Human herpesvirus 1" "sorivudine" 2463 "Thymidine kinase" "Kinase" "P09250" "KITH_VZVD" 5.49 "IC50" "Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation" "CHEMBL" "=" "Varicella-zoster virus (strain Dumas)" "sorivudine" 2463 "Deoxynucleoside kinase" "Kinase" "Q9XZT6" "dnk" "DNK_DROME" 4.55 "IC50" "Inhibition of Drosophila melanogaster dNK assessed as [methyl-3H]dThd phosphorylation" "CHEMBL" "=" "Drosophila melanogaster" "sorivudine" 2463 "Thymidine kinase, mitochondrial" "Kinase" "O00142" "TK2" "KITM_HUMAN" 4.98 "Ki" "Inhibition of thymidine kinase 2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sotalol" 2464 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.1 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "ANTAGONIST" "Tclin" "Homo sapiens" "sotalol" 2464 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "ANTAGONIST" "Tclin" "Homo sapiens" "sotalol" 2464 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL471" "BLOCKER" "Tclin" "Homo sapiens" "sotalol" 2464 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.24 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "sotalol" 2464 "Beta-2 adrenergic receptor" "GPCR" "P54833" "ADRB2" "ADRB2_CANFA" 5.3 "IC50" "In vitro Beta-2 adrenergic receptor affinity in partially purified membrane fractions from canine lung tissue using [SH]dihydroalprenolol (4.5 nM)" "CHEMBL" "=" "Canis familiaris" "sparfloxacin" 2466 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.413 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sparfloxacin" 2466 "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/CHEMBL850" "INHIBITOR" "Escherichia coli (strain K12)" "sparfloxacin" 2466 "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/CHEMBL850" "INHIBITOR" "Escherichia coli (strain K12)" "spectinomycin" 2468 "30S ribosomal protein S12" "Cytosolic other" "P0A7S3" "rpsL" "RS12_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "spiclomazine" 2469 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 5.18 "IC50" "Inhibition of human BACE-1 preincubated for 1 hr followed by substrate addition measured after 60 mins by FRET assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "spiperone" 2470 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.49 "Ki" "Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey" "CHEMBL" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 10.22 "Ki" "Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01051" "ANTAGONIST" "Tclin" "Homo sapiens" "spiperone" 2470 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.02 "IC50" "The compound was tested for affinity towards sigma-3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.4 "Kd" "Binding affinity to 5HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.65 "Ki" "Displacement of [3H]Ketanserin from human 5HT2A receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01051" "ANTAGONIST" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.94 "Ki" "Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand." "CHEMBL" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.8 "Ki" "Binding affinity towards human 5-hydroxytryptamine 6 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.96 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.1 "Ki" "Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active" "CHEMBL" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.92 "Ki" "Displacement of [3H]Spiperone from human recombinant dopamine D3 receptor expressed in CHO cells after 2 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "spiperone" 2470 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.322 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "spiperone" 2470 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.7 "Ki" "Displacement of [3H]Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells after 2 hrs" "CHEMBL" "=" "Tchem" "Homo sapiens" "spiperone" 2470 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "spiperone" 2470 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 4.2 "Ki" "Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand" "CHEMBL" "=" "Tchem" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.4 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "spiperone" 2470 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.297 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "spiperone" 2470 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.89 "Ki" "Overall binding displacement in tissues containing only the Alpha-1B adrenergic receptor (rat spleen, rat liver)" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.32 "Ki" "Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand." "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.14 "Ki" "Overall binding displacement in tissues containing only the Alpha-1A adrenergic receptor from rat submaxillary gland" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.66 "Ki" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 10.82 "Ki" "Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.52 "Ki" "Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9 "Ki" "Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8 "Ki" "Binding affinity towards rat 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7.2 "Ki" "Binding affinity towards mouse 5-hydroxytryptamine 7 receptor was evaluated using [3H]5-HT as radioligand" "CHEMBL" "=" "Mus musculus" "spiperone" 2470 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6 "Ki" "Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]mesulergine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.87 "Ki" "CHEMBL" "=" "Bos taurus" "spiperone" 2470 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "spiperone" 2470 "Vesicular acetylcholine transporter" "Transporter" "Q62666" "Slc18a3" "VACHT_RAT" 5.99 "Ki" "Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 4.3 "Ki" "Displacement of [3H]- QNB binding at the muscarinic-cholinergic binding site of rat brain S1" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.8 "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" "spiperone" 2470 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 8.7 "Ki" "Displacement of [3H]- spiperone radioligand binding at the dopamine binding site of rat caudate" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "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" "spiperone" 2470 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.35 "Ki" "The compound was tested in vitro for binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [125]I-LSD radioligand" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "Dopamine receptor" "GPCR" "P30728|P51436|P61168|Q61616|Q8BLD9" "Drd3|Drd4|Drd2|Drd1|Drd5" "DRD3_MOUSE|DRD4_MOUSE|DRD2_MOUSE|DRD1_MOUSE|DRD5_MOUSE" 4.46 "IC50" "Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to Dopamine receptor of mice" "CHEMBL" "=" "Mus musculus" "spiperone" 2470 "Beta-casein" "Unclassified" "P02665" "Csn2" "CASB_RAT" 8.81 "Ki" "CHEMBL" "=" "Rattus norvegicus" "spiperone" 2470 "5-hydroxytryptamine receptor 1B" "GPCR" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "spiperone" 2470 "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" "spirapril" 2474 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9.1 "IC50" "Compound tested in vitro for inhibition of Angiotensin I converting enzyme" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200831" "INHIBITOR" "Tclin" "Homo sapiens" "spirapril" 2474 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 7.17 "IC50" "Compound tested in vitro for inhibition of Angiotensin I converting enzyme" "CHEMBL" "=" "Rattus norvegicus" "spironolactone" 2475 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.227 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "spironolactone" 2475 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "spironolactone" 2475 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.884 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1393" "ANTAGONIST" "Tclin" "Homo sapiens" "spironolactone" 2475 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.4 "Ki" "Binding affinity to human androgen receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "spironolactone" 2475 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.029 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "spironolactone" 2475 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.48 "EC50" "Agonist activity at estrogen receptor beta (unknown origin) by NH Pro assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "spironolactone" 2475 "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" "spironolactone" 2475 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.17 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "spironolactone" 2475 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.663 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "spironolactone" 2475 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.73 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "stanozolol" 2477 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.033 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "stanozolol" 2477 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.327 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "stanozolol" 2477 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 7.495 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "stanozolol" 2477 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2079587" "AGONIST" "Tclin" "Homo sapiens" "stanozolol" 2477 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.948 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "stanozolol" 2477 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 7.319 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "stanozolol" 2477 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.824 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "stanozolol" 2477 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.316 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "stavudine" 2478 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" "stavudine" 2478 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.3 "EC50" "Effective concentration that reduces HIV-induced cytopathic effect by 50% was determined by reverse transcriptase (RT) assay." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL991" "INHIBITOR" "Human immunodeficiency virus 1" "stavudine" 2478 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 7.22 "IC50" "Inhibition of HIV1 reverse transcriptase" "CHEMBL" "=" "Human immunodeficiency virus 1" "stiripentol" 2480 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "stiripentol" 2480 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 4.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "stiripentol" 2480 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "stiripentol" 2480 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "streptomycin" 2481 "30S ribosomal protein S12" "Ribosomal protein" "P9WH62" "rpsL" "RS12_MYCTO" "WOMBAT-PK" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "strychnine" 2484 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "strychnine" 2484 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "strychnine" 2484 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.7 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "strychnine" 2484 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "strychnine" 2484 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 4.7 "IC50" "GRAC: human Glycine receptor subunit alpha-1 selective antagonist" "CHEMBL" "=" "Tclin" "Homo sapiens" "strychnine" 2484 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.68 "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" "strychnine" 2484 "Glycine receptor subunit alpha-1" "Ion channel" "P07727" "Glra1" "GLRA1_RAT" 7.92 "Ki" "Displacement of [3H]strychnine from glycine receptor alpha 1 in rat brain synaptic membranes" "CHEMBL" "=" "Rattus norvegicus" "strychnine" 2484 "Taste receptor type 2 member 10" "GPCR" "Q9NYW0" "TAS2R10" "T2R10_HUMAN" 5.3 "EC50" "Activity at human TAS2R10 expressed in HEK293/15 cells assessed as effect on calcium response by FLIPR assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "strychnine" 2484 "Taste receptor type 2 member 46" "GPCR" "P59540" "TAS2R46" "T2R46_HUMAN" 6.367 "EC50" "calcium imaging in ransfected human embryonic kidney (HEK)-293T" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20022913" "AGONIST" "Tbio" "Homo sapiens" "succinic acid" 2487 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 5.52 "IC50" "Inhibition of 2-oxoglutarate-dependent human recombinant HIF PHD2 preincubated for 1 hr" "CHEMBL" "=" "Tclin" "Homo sapiens" "succinic acid" 2487 "Succinate receptor 1" "GPCR" "Q9BXA5" "SUCNR1" "SUCR1_HUMAN" 4.7 "EC50" "IUPHAR" "=" "AGONIST" "Homo sapiens" "suxamethonium" 2489 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 4.68 "Ki" "Inhibition of mouse AChE" "CHEMBL" "=" "Mus musculus" "suxamethonium" 2489 "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/CHEMBL703" "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" "sufentanil" 2491 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.13 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL658" "AGONIST" "Tclin" "Homo sapiens" "sufentanil" 2491 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sufentanil" 2491 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.301 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sufentanil" 2491 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.71 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "sufentanil" 2491 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.66 "Ki" "Ability to displace [3H]naloxone from the Opioid receptor mu 1 isolated from the rat brain membranes." "CHEMBL" "=" "Rattus norvegicus" "sufentanil" 2491 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 5.68 "IC50" "Displacement of [3H]pentazocine from LAL/HA/BR guinea pig brain sigma1 receptor incubated for 90 mins by liquid scintillation counting method" "CHEMBL" "=" "Cavia porcellus" "sufentanil" 2491 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 10.7 "Ki" "In vitro affinity to displace [3H]naloxone from opiate receptor in freshly prepared rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "sufentanil" 2491 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.71 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "sufentanil" 2491 "Sigma non-opioid intracellular receptor 1" "Unclassified" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 5.68 "IC50" "Displacement of [3H]pentazocine from LAL/HA/BR guinea pig brain sigma1 receptor incubated for 90 mins by liquid scintillation counting method" "CHEMBL" "=" "Cavia porcellus" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "P00807" "blaZ" "BLAC_STAAU" 5.19 "IC50" "Inhibitory activity against Penicillinase from Staphylococcus aureus TH-14 using piperacillin (40 uM) as a substrate" "CHEMBL" "=" "Staphylococcus aureus" "sulbactam" 2492 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 6.1 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL403" "INHIBITOR" "Escherichia coli" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.18 "IC50" "Inhibitory activity against AmpC (class C) beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "sulbactam" 2492 "Beta-lactamase SHV-1" "Enzyme" "P0AD63" "bla" "BLA1_ECOLX" 5.41 "IC50" "Cell Free Inhibition Assay: The inhibitory concentrations (IC50, [uM]) of the beta -lactamase inhibitors against purified TEM-1, SHV-1 and AmpC beta -lactamases are assessed by determining the concentration of inhibitor at which 50% of the nitrocefin hydrolysis is inhibited by the particular enzyme. Assays are performed with beta -lactamases expressed in the pET system (Novagen, San Diego, Calif.) without signal peptides. They contain an N-terminal hexa-Histidine tag that is used for purification on Ni-NTA (Qiagen, Hilden, Germany). The compounds are prepared as 50 mM stocks in DMSO and diluted into buffer P1 (50 mM phosphate, pH 7) to a final concentration of 10% DMSO. All further dilutions are done in P2 (P1 with 10% DMSO). Enzyme and compound dilutions are pre-incubated for 10 min at 37 C. and the reaction is started with the addition of pre-warmed (37 C.) nitrocefin at a final concentration of 50 mM. The change in absorption at 490 nm is followed at 37 C. for 10 min with " "CHEMBL" "=" "Escherichia coli" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 6 "IC50" "Compound was evaluated for beta-lactamase inhibition activity of Escherichia cloacae after 15 min of pre-incubation with the enzyme at 37 degree C" "CHEMBL" "=" "Enterobacter cloacae" "sulbactam" 2492 "Beta-lactamase OXA-1" "Enzyme" "P13661" "bla" "BLO1_ECOLX" 4.66 "IC50" "Inhibitory activity against Beta-lactamase type OXA1 (penicillinase) from Escherichia coli OXA1 using ampicillin (40 uM) as a substrate" "CHEMBL" "=" "Escherichia coli" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 4.57 "IC50" "Inhibition of Pseudomonas aeruginosa beta-lactamase AmpC assessed as nitrocefin hydrolysis after 5 mins enzyme-compound preincubation" "CHEMBL" "=" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "A1E3K9" "blaSCO-1" "A1E3K9_ECOLX" 5.21 "IC50" "Inhibition of Escherichia coli beta-lactamase SCO1" "CHEMBL" "=" "Escherichia coli" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "A8RR46" "bcl1" "A8RR46_BACCS" 7.12 "IC50" "Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "Bacillus clausii" "sulbactam" 2492 "Carbapenem-hydrolizing beta-lactamase SFC-1" "Enzyme" "Q6JP75" "Q6JP75_SERFO" 4.64 "IC50" "Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE" "CHEMBL" "=" "Serratia fonticola" "sulbactam" 2492 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 6.43 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "Pseudomonas aeruginosa" "sulbactam" 2492 "Class D beta-lactamase" "Unclassified" "Q50H31" "oxa-63" "Q50H31_BRAPL" 4.92 "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" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "Q7X575" "SHV-11" "Q7X575_ECOLX" 5.62 "IC50" "Inhibition of Escherichia coli JM109 beta-lactamase SHV-11" "CHEMBL" "=" "Escherichia coli" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "Q0VTR6" "adc-14" "Q0VTR6_ACIPI" 5.95 "IC50" "Inhibition of Acinetobacter genomosp. 3 isolate 65 ADC-14" "CHEMBL" "=" "Acinetobacter pittii" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "Q0VTR8" "adc-16" "Q0VTR8_ACIPI" 5.11 "IC50" "Inhibition of Acinetobacter genomosp. 3 isolate 103 ADC-16" "CHEMBL" "=" "Acinetobacter pittii" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "D5HSX5" "blaPER-6" "D5HSX5_9GAMM" 5.4 "IC50" "Inhibition of Aeromonas allosaccharophila AL-1 beta-lactamase PER6" "CHEMBL" "=" "Aeromonas allosaccharophila" "sulbactam" 2492 "Serine beta-lactamase-like protein LACTB, mitochondrial" "Enzyme" "P83111" "LACTB" "LACTB_HUMAN" 5.01 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "sulbactam" 2492 "Beta-lactamase TEM" "Enzyme" "P62594" "bla" "BLAT_SALTI" 6.1 "Ki" "WOMBAT-PK" "=" "Salmonella typhi" "sulbactam" 2492 "ADC-18 protein" "Enzyme" "Q0VTS0" "adc-18" "Q0VTS0_ACIPI" 4.93 "IC50" "Inhibition of Acinetobacter genomosp. 3 isolate 195 ADC-18" "CHEMBL" "=" "Acinetobacter pittii" "sulbactam" 2492 "Beta-lactamase 1" "Enzyme" "P00809" "blaY" "BLAC_BACCE" 4.6 "IC50" "Inhibition of Beta-lactamase of Bacillus cereus (class A enzyme) without pre-incubation" "CHEMBL" "=" "Bacillus cereus" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "D2SSQ3" "" "D2SSQ3_PSEAI" 5.52 "IC50" "Inhibition of Pseudomonas aeruginosa 531 beta-lactamase BEL-2" "CHEMBL" "=" "Pseudomonas aeruginosa" "sulbactam" 2492 "Beta-lactamase" "Enzyme" "Q3SAW3" "bla(BEL1)" "Q3SAW3_PSEAI" 5.52 "IC50" "Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1" "CHEMBL" "=" "Pseudomonas aeruginosa" "sulconazole" 2495 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.819 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.155 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.125 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.697 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.95 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.716 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.836 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.786 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.977 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.053 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.142 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.258 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.727 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.144 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.863 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.828 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulconazole" 2495 "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/CHEMBL1221" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "sulconazole" 2495 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 4.85 "IC50" "Compound was tested for the inhibition of beta-lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "sulconazole" 2495 "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" "sulconazole" 2495 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.222 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulconazole" 2495 "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" "sulconazole" 2495 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.22 "EC50" "PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absence of phosphate acceptor performed in luminescent assay. (Class of assay: confirmatory) [Related pubchem assays: 813, 518, 1548, 1450 ]" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulconazole" 2495 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.431 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.738 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulconazole" 2495 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.16 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulconazole" 2495 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 5.19 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulconazole" 2495 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.782 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulconazole" 2495 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5 "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" "sulconazole" 2495 "Malate dehydrogenase cytoplasmic " "Enzyme" "P40925" "MDH1" "MDHC_HUMAN" 4.7 "IC50" "Inhibition of malate dehydrogenase (MDH)" "CHEMBL" "=" "Tbio" "Homo sapiens" "sulconazole" 2495 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.53 "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" "sulfacetamide" 2497 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 4.74 "IC50" "Inhibition of human DHFR after 2 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfacetamide" 2497 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL455" "INHIBITOR" "Escherichia coli (strain K12)" "sulfacetamide" 2497 "Dihydrofolate reductase" "Enzyme" "P00376" "DHFR" "DYR_BOVIN" 4.66 "IC50" "Inhibition of bovine DHFR after 2 mins" "CHEMBL" "=" "Bos taurus" "sulfacytine" 2499 "7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase; Dihydropteroate synthetase" "Kinase" "Q25704" "PPPK-DHPS" "Q25704_PLAFA" "Mechanism of Action; CHEMBL2013; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201056" "INHIBITOR" "Plasmodium falciparum" "sulfadiazine" 2500 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.03 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sulfadiazine" 2500 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 4.96 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sulfadiazine" 2500 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q08210" "PYRD_PLAF7" "WOMBAT-PK" "Plasmodium falciparum (isolate 3D7)" "sulfadiazine" 2500 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL439" "INHIBITOR" "Escherichia coli (strain K12)" "sulfadiazine" 2500 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 4.68 "IC50" "Inhibition of aurora kinase A" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulfadiazine" 2500 "High affinity choline transporter 1" "Transporter" "Q9GZV3" "SLC5A7" "SC5A7_HUMAN" 4.24 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "sulfadimethoxine" 2501 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.206 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulfadimidine" 2502 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL446" "INHIBITOR" "Escherichia coli (strain K12)" "sulfadimidine" 2502 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "sulfadoxine" 2503 "7,8-dihydro-6-hydroxymethylpterin pyrophosphokinase-dihydropteroate synthase; Dihydropteroate synthetase" "Kinase" "Q25704" "PPPK-DHPS" "Q25704_PLAFA" "Mechanism of Action; CHEMBL2013; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1539" "INHIBITOR" "Plasmodium falciparum" "sulfadoxine" 2503 "6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase" "Unclassified" "Q8IAU3" "PF3D7_0810800" "Q8IAU3_PLAF7" 7.14 "IC50" "Parasite growth inhibition assay" "IUPHAR" "=" "Plasmodium falciparum (isolate 3D7)" "sulfaethidole" 2504 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 5.11 "Kd" "SPR Competitive Binding Assay: SPR interaction analyses were performed with a Biacore 2000, using Biacore 2000 Control Software v3.2 and BIAevaluation v4.1 analysis software (Biacore) as described in Mol Cancer Ther 7:2621 (2008). For the competitive binding assays and the Ki determination, PtdIns(3,4,5)phosphate-biotin labeled liposomes (Echelon Biosciences) and SA chips were used with increasing concentrations of the compound tested." "CHEMBL" "=" "Tchem" "Homo sapiens" "sulfaguanidine" 2505 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.02 "Ki" "Inhibitory activity against human thrombin (using Chromozym TH as the substrate)" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfaguanidine" 2505 "Trypsin" "Enzyme" "P07477|P07478|P35030" "PRSS1|PRSS2|PRSS3" "TRY1_HUMAN|TRY2_HUMAN|TRY3_HUMAN" 5.87 "Ki" "Inhibitory activity against human trypsin (using Chromozym TH as the substrate)" "CHEMBL" "=" "Tchem|Tchem|Tclin|Tchem|Tchem|Tclin|Tchem|Tchem|Tclin" "Homo sapiens" "sulfamerazine" 2510 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL438" "INHIBITOR" "Escherichia coli (strain K12)" "sulfameter" 2511 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200359" "INHIBITOR" "Escherichia coli (strain K12)" "sulfamethizole" 2512 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1191" "INHIBITOR" "Escherichia coli (strain K12)" "sulfamethoxazole" 2514 "Bifunctional protein FolC" "Enzyme" "P08192" "folC" "FOLC_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "sulfamethoxazole" 2514 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" 5.33 "IC50" "In vitro inhibition of dihydropteroate synthase from Escherichia coli." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443" "INHIBITOR" "Escherichia coli (strain K12)" "sulfamethoxazole" 2514 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 7 "IC50" "Inhibitory activity against dihydrofolate reductase in Pneumocystis carinii in the prence of 100 micro M PABA." "CHEMBL" "=" "Pneumocystis carinii" "sulfamethoxazole" 2514 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 8 "Ki" "Inhibition constant for human immunodeficiency virus type 1 protease" "CHEMBL" "=" "Human immunodeficiency virus 1" "sulfamethoxazole" 2514 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 5.4 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "Rattus norvegicus" "sulfalene" 2517 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1525826" "INHIBITOR" "Escherichia coli (strain K12)" "sulfanilamide" 2521 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.62 "Ki" "Ki value against human carbonic anhydrase II" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.52 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.52 "Ki" "Inhibition of cloned isozyme, human carbonic anhydrase IV" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.62 "Ki" "Inhibition of catalytic domain of human recombinant CA IX" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.43 "Ki" "Inhibitory constant against catalytic domain of human carbonic anhydrase XII" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL21" "INHIBITOR" "Escherichia coli (strain K12)" "sulfanilamide" 2521 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.49 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.44 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 7.15 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.37 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "sulfanilamide" 2521 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.01 "Ki" "Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.03 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.27 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.49 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "Mus musculus" "sulfanilamide" 2521 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 5.52 "Ki" "Inhibition constant against bovine Carbonic anhydrase IV, isolated from lung microsomes" "CHEMBL" "=" "Bos taurus" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.6 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.24 "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)" "sulfanilamide" 2521 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.49 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfanilamide" 2521 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 5.02 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 4.73 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 6.62 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "sulfanilamide" 2521 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.2 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 5.1 "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)" "sulfanilamide" 2521 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 6.44 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.52 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "sulfanilamide" 2521 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.11 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "sulfanilamide" 2521 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 5.11 "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" "sulfanilamide" 2521 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.03 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "sulfanilamide" 2521 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.74 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "sulfanilamide" 2521 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 4.53 "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)" "sulfanilamide" 2521 "Carbonic anhydrase 2" "Enzyme" "P00921" "CA2" "CAH2_BOVIN" 6.07 "Ki" "Binding affinity to bovine carbonic anhydrase 2" "CHEMBL" "=" "Bos taurus" "sulfanilamide" 2521 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.06 "Ki" "CHEMBL" "=" "Anopheles gambiae" "sulfanilamide" 2521 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.2 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "sulfanilamide" 2521 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 6.19 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "sulfaphenazole" 2523 "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" "sulfaphenazole" 2523 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1109" "INHIBITOR" "Escherichia coli (strain K12)" "sulfapyridine" 2524 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL700" "INHIBITOR" "Escherichia coli (strain K12)" "sulfapyridine" 2524 "Dihydropteroate synthase type-1" "Enzyme" "Q49184" "sulI" "DHP1_MYCFO" "WOMBAT-PK" "Mycobacterium fortuitum" "sulfasalazine" 2525 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burke plot" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfasalazine" 2525 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.16 "Ki" "Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burke plot" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfasalazine" 2525 "Acetyl-CoA acetyltransferase, mitochondrial" "Enzyme" "P24752" "ACAT1" "THIL_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "sulfasalazine" 2525 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "INHIBITOR" "Tclin" "Homo sapiens" "sulfasalazine" 2525 "Cystine/glutamate transporter" "Transporter" "Q9UPY5" "SLC7A11" "XCT_HUMAN" 4.52 "IC50" "Inhibition of xc-cystine-glutamate antiporter-mediated cystine uptake in human U87 cells using L-[14C]cystine as substrate after 15 mins by liquid scintillation counting" "CHEMBL" "=" "Tbio" "Homo sapiens" "sulfasalazine" 2525 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 4.54 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulfasalazine" 2525 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 4.707 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulfasalazine" 2525 "Interstitial collagenase" "Enzyme" "P03956" "MMP1" "MMP1_HUMAN" 4.628 "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" "sulfasalazine" 2525 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.533 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "sulfasalazine" 2525 "Proton-coupled folate transporter" "Transporter" "Q96NT5" "SLC46A1" "PCFT_HUMAN" 4.2 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "sulfasalazine" 2525 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.768 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "sulfasalazine" 2525 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.198 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sulfasalazine" 2525 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL421" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sulfasalazine" 2525 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.02 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulfasalazine" 2525 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.02 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulfathiazole" 2527 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" 5.6 "IC50" "In vitro inhibition of dihydropteroate synthase from Escherichia coli." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL437" "INHIBITOR" "Escherichia coli (strain K12)" "sulfathiazole" 2527 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 4.161 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sulfathiazole" 2527 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 4.16 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "Rattus norvegicus" "sulfathiazole" 2527 "Transcriptional activator protein LasR" "Unclassified" "P25084" "lasR" "LASR_PSEAE" 5.05 "IC50" "Inhibition of LasR in Pseudomonas aeruginosa harboring GFP-fused quorum sensing lasB measured every 15 mins up to 12 hrs by GFP reporter gene assay" "CHEMBL" "=" "Pseudomonas aeruginosa" "sulfinpyrazone" 2528 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "sulfinpyrazone" 2528 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "sulfinpyrazone" 2528 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 4 "IC50" "Inhibition of human URAT1-mediated urate uptake in HEK293 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL832" "INHIBITOR" "Tclin" "Homo sapiens" "sulfinpyrazone" 2528 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 9.3 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "sulfafurazole" 2529 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.55 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "sulfafurazole" 2529 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q08210" "PYRD_PLAF7" "WOMBAT-PK" "Plasmodium falciparum (isolate 3D7)" "sulfafurazole" 2529 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL453" "INHIBITOR" "Escherichia coli (strain K12)" "sulfafurazole" 2529 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 6.11 "IC50" "Inhibitory concentration against Endothelin A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfafurazole" 2529 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 4.62 "IC50" "Binding affinity against human Endothelin B receptor in transfected COS 7 cell membrane preparation" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfafurazole" 2529 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 6.11 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "Rattus norvegicus" "sulfobromophthalein" 2531 "Hematopoietic prostaglandin D synthase" "Enzyme" "O60760" "HPGDS" "HPGDS_HUMAN" 4.57 "IC50" "Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulforidazine" 2532 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.611 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sulforidazine" 2532 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.155 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "aldesulfone" 2533 "Dihydropteroate synthase 1" "Enzyme" "P0C0X1" "folP1" "DHPS1_MYCLE" "Mechanism of Action; CHEMBL2362993; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200580" "INHIBITOR" "Mycobacterium leprae (strain TN)" "aldesulfone" 2533 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "sulindac" 2534 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.25 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL15770" "INHIBITOR" "Tclin" "Homo sapiens" "sulindac" 2534 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.92 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "sulindac" 2534 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.42 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulindac" 2534 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 6.43 "IC50" "Inhibition of Homo sapiens (human) aldose reductase" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulindac" 2534 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 4.08 "IC50" "Displacement of [3H]-9-cis-RA from RXRalpha (unknown origin) by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulindac" 2534 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "sulindac" 2534 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.11 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulindac" 2534 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6.362 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "sulindac" 2534 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.8 "IC50" "Inhibition of Ovine COX-1 preincubated for 15 mins by fluorescence analysis" "CHEMBL" "=" "Ovis aries" "sulindac" 2534 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 4.1 "IC50" "Inhibition of microsomal PGES" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulindac" 2534 "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" "sulindac" 2534 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.06 "IC50" "CHEMBL" "=" "Rattus norvegicus" "sulindac" 2534 "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" "suloctidil" 2536 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.12 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.307 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.177 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.857 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.508 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.224 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.146 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.606 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 7.053 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.965 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.009 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.196 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.492 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.426 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.3 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.69 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.679 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "suloctidil" 2536 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.1 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.141 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "suloctidil" 2536 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.645 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "suloctidil" 2536 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.26 "IC50" "CHEMBL" "=" "Rattus norvegicus" "sulpiride" 2537 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.12 "Ki" "Antagonist activity at dopamine D2 receptor (unknown origin)" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=5501" "ANTAGONIST" "Tclin" "Homo sapiens" "sulpiride" 2537 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.121 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.1 "Ki" "Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.68 "Ki" "Binding affinity for Dopamine receptor D4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.398 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.92 "Ki" "Ki value against human carbonic anhydrase I (hCA I)" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.51 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.41 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.76 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VA" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.74 "Ki" "Inhibitory activity against human recombinant mitochondrial isozyme CA VB" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.44 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.75 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "sulpiride" 2537 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.97 "Ki" "Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 9.1 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulpiride" 2537 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.82 "Kd" "Affinity constant of compound was evaluated in rat striatum tissue preparation." "CHEMBL" "=" "Rattus norvegicus" "sulpiride" 2537 "D(2) dopamine receptor" "GPCR" "Q9GJU1" "DRD2" "DRD2_CANFA" 6.7 "IC50" "The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible (dopamine receptor from Canine striatal membranes). Result indicates the mean of two separate experiments, each performed in triplicate." "CHEMBL" "=" "Canis familiaris" "sulpiride" 2537 "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" "sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.91 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "sulpiride" 2537 "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)" "sulpiride" 2537 "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)" "sulpiride" 2537 "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" "sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.38 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "sulpiride" 2537 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.09 "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" "sulpiride" 2537 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.42 "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" "sulpiride" 2537 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.64 "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)" "sulpiride" 2537 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.59 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "sulpiride" 2537 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.58 "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)" "sulpiride" 2537 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 5.8 "Ki" "In vitro ability to displace [3H]spiroperidol from rat dopamine receptor" "CHEMBL" "=" "Rattus norvegicus" "sulpiride" 2537 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 7.53 "Ki" "CHEMBL" "=" "Anopheles gambiae" "sulpiride" 2537 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.06 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "sulpiride" 2537 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 7.17 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "sulprostone" 2538 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "sulprostone" 2538 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 9.46 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "sulprostone" 2538 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.111 "Ki" "PDSP" "Tclin" "Homo sapiens" "sulprostone" 2538 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 6.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "sulprostone" 2538 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P35375" "Ptger1" "PE2R1_MOUSE" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "sulprostone" 2538 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P30557" "Ptger3" "PE2R3_MOUSE" 9.2 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "sulprostone" 2538 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P34980" "Ptger3" "PE2R3_RAT" 9.38 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "sulprostone" 2538 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P70597" "Ptger1" "PE2R1_RAT" 7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "sultiame" 2540 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.05 "Ki" "Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "sultiame" 2540 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.43 "Ki" "Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "sultiame" 2540 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.37 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sultiame" 2540 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.87 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sultiame" 2540 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.19 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "sultiame" 2540 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 5.99 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "sultiame" 2540 "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)" "sultiame" 2540 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.34 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "sultiame" 2540 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.91 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "sultiame" 2540 "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" "sultiame" 2540 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 5.29 "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)" "sultiame" 2540 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.77 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "sultiame" 2540 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.18 "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)" "sultiame" 2540 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.58 "Ki" "CHEMBL" "=" "Anopheles gambiae" "sultiame" 2540 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.37 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "sultiame" 2540 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.11 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "sultopride" 2541 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.571 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sultopride" 2541 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.42 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.64 "Ki" "In vitro receptor binding affinity for cloned human 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.42 "Ki" "The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranes" "CHEMBL" "=" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.14 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.26 "Ki" "Binding affinity was measured on 5-hydroxytryptamine 1D receptor beta in CHO cells transfected with human 5-HT1D beta gene labeled with [3H]5-HT" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "AGONIST" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.92 "Ki" "Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL128" "AGONIST" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.03 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.3 "IC50" "Displacement of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from pig cortex" "CHEMBL" "=" "Tchem" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.59 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1F receptor was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.26 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 1E receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 7.64 "Ki" "Binding affinity was measured on 5-hydroxytryptamine 1B receptor in rat striatum labeled with [3H]5-HT" "CHEMBL" "=" "Rattus norvegicus" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.19 "IC50" "Binding affinity was measured against serotonin 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Rattus norvegicus" "sumatriptan" 2543 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1D" "GPCR" "P79400" "HTR1D" "5HT1D_PIG" 7.7 "IC50" "Binding activity radioligand." "CHEMBL" "=" "Sus scrofa" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.35 "IC50" "Compound was evaluated for the affinity at 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Mus musculus" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 7.21 "IC50" "Binding affinity was measured against serotonin 5-hydroxytryptamine 1D receptor" "CHEMBL" "=" "Rattus norvegicus" "sumatriptan" 2543 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "sumatriptan" 2543 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.17 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sumatriptan" 2543 "5-hydroxytryptamine receptor 1B" "GPCR" "Q9N2B7" "HTR1B" "5HT1B_GORGO" 8.19 "Ki" "The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B receptor from cloned gorilla membranes expressed in cultured HEK 293 cells" "CHEMBL" "=" "Gorilla gorilla gorilla" "sumatriptan" 2543 "5-hydroxytryptamine 1D receptor" "Unclassified" "Q8MI13" "5htr1d" "Q8MI13_BOVIN" 7.23 "IC50" "CHEMBL" "=" "Bos taurus" "sumatriptan" 2543 "5-hydroxytryptamine receptor 5A" "GPCR" "P30966" "Htr5a" "5HT5A_MOUSE" 4.8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "sunitinib" 2544 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.92 "Kd" "Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.3 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.23 "IC50" "Inhibition of AChE (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 10.12 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1567" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.26 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.68 "Kd" "Binding constant for KIT(V559D,V654A) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1567" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.07 "Kd" "Binding constant for EGFR(L858R,T790M) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.68 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.64 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.92 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.28 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 9.66 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1567" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 9.7 "Kd" "Inhibition of KDR by cellular assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1567" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 7.77 "Ki" "Binding affinity to VEGFR3 (unknown origin)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1567" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 8.7 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1567" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 7.26 "Kd" "Average Binding Constant for RPS6KA3 (Kin.Dom. 1); NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 8.23 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 5.59 "Kd" "Binding constant for IGF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 7.64 "Kd" "Binding affinity to MLCK" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.74 "Kd" "Average Binding Constant for INSR; NA=Not Active at 10 uM" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "sunitinib" 2544 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 7.66 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 6.01 "Kd" "Binding constant for full-length CAMK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.54 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 6.34 "Kd" "Binding affinity to ROCK1" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.36 "Kd" "Binding constant for PTK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.06 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.05 "Kd" "Inhibition of Jak1" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.37 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 6.82 "Kd" "Binding constant for full-length DAPK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 4.92 "IC50" "Inhibition of recombinant PI3Kdelta by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 7 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6.39 "Kd" "Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 6.85 "Kd" "Binding affinity to ROCK2" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 5.22 "Kd" "Average Binding Constant for PRKACA; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 6.38 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 7.31 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 6.36 "Kd" "Binding affinity to CAMK1G" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.96 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 6.51 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.92 "Kd" "Binding constant for MET(M1250T) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.57 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 6.3 "Kd" "Average Binding Constant for NEK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 7.77 "Kd" "Binding constant for RPS6KA2(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 7.72 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 5.85 "Kd" "Binding constant for CAMK2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.28 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 8.26 "Kd" "Binding constant for full-length PHKG1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent-like kinase 5" "Kinase" "Q00535" "CDK5" "CDK5_HUMAN" 5.16 "Kd" "Binding constant for CDK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 7.1 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 6.96 "Kd" "Binding constant for full-length DRAK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.72 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 5.96 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 6.72 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.66 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.6 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 7.2 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 6 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 5.92 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.28 "Kd" "Average Binding Constant for FGFR2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.15 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 5.37 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 9 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.02 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 7.6 "Kd" "Average Binding Constant for TNIK; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 7.89 "Kd" "Binding constant for full-length CSNK1E" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.57 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.77 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.77 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.68 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 8.26 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase pim-2" "Kinase" "Q9P1W9" "PIM2" "PIM2_HUMAN" 5.3 "Kd" "Average Binding Constant for PIM2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 6.28 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 7.66 "Kd" "Binding constant for full-length CLK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 7.7 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 38-like" "Kinase" "Q9Y2H1" "STK38L" "ST38L_HUMAN" 6.01 "Kd" "Binding constant for NDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 7.39 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 5.48 "Kd" "Average Binding Constant for MAP3K4; NA=Not Active at 10 uM" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 7.7 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 6.32 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.29 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 6.89 "Kd" "Average Binding Constant for PCTK1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 7.72 "Kd" "Binding constant for full-length MST1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.66 "Kd" "Average Binding Constant for ACK1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 7.77 "Kd" "Binding affinity to RPS6KA2(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.25 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 7.54 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.24 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.62 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.82 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 6.39 "Kd" "Binding constant for full-length MARK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 6.38 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 6.36 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 5.7 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.21 "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" "sunitinib" 2544 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.2 "Kd" "Binding constant for full-length TSSK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 5.46 "Kd" "Binding constant for full-length PDPK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 6.89 "Kd" "Binding constant for full-length MEK1" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 6.96 "Kd" "Binding constant for full-length MEK2" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 7.89 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 3" "Kinase" "Q9JI10" "Stk3" "STK3_MOUSE" 6.8 "Kd" "Average Binding Constant for STK3_m; NA=Not Active at 10 uM" "CHEMBL" "=" "Mus musculus" "sunitinib" 2544 "Serine/threonine-protein kinase ULK3" "Kinase" "Q3U3Q1" "Ulk3" "ULK3_MOUSE" 6.96 "Kd" "Average Binding Constant for ULK3 m; NA=Not Active at 10 uM" "CHEMBL" "=" "Mus musculus" "sunitinib" 2544 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 5.34 "Kd" "Binding constant for BRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 5.68 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 8.05 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.23 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 7.31 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.48 "Kd" "Binding constant for full-length CDK7" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 6.51 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 7.32 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.89 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "RAC-beta serine/threonine-protein kinase" "Kinase" "P31751" "AKT2" "AKT2_HUMAN" 5.57 "Kd" "Binding constant for AKT2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 6.96 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.25 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.62 "Kd" "Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.82 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.17 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.44 "Kd" "Binding affinity to TYK2(JH2domain-pseudokinase)" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 6.52 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 4.96 "IC50" "Inhibition of recombinant PI3Kalpha by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 6.26 "IC50" "Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay" "CHEMBL" "=" "Gallus gallus" "sunitinib" 2544 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 7.8 "Kd" "Binding constant for full-length PAK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent kinase 17" "Kinase" "Q00537" "CDK17" "CDK17_HUMAN" 5.92 "Kd" "Binding constant for full-length PCTK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent kinase 18" "Kinase" "Q07002" "CDK18" "CDK18_HUMAN" 5.77 "Kd" "Binding constant for full-length PCTK3" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 6.57 "Kd" "Binding constant for full-length PFTK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 5.27 "Kd" "Binding constant for full-length PIP5K1A" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 7.41 "Kd" "Binding constant for full-length PIP5K2B" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Myosin light chain kinase family member 4" "Kinase" "Q86YV6" "MYLK4" "MYLK4_HUMAN" 7.82 "Kd" "Binding constant for SgK085 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.96 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 6.54 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 7.09 "Kd" "Binding constant for full-length PTK2B" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 7.46 "Kd" "Binding constant for full-length RIOK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Casein kinase I isoform alpha-like" "Kinase" "Q8N752" "CSNK1A1L" "KC1AL_HUMAN" 6.26 "Kd" "Binding constant for full-length CSNK1A1L" "CHEMBL" "=" "Tdark" "Homo sapiens" "sunitinib" 2544 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 7.82 "Kd" "Binding constant for full-length CSNK1D" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Casein kinase I isoform gamma-2" "Kinase" "P78368" "CSNK1G2" "KC1G2_HUMAN" 6.96 "Kd" "Binding constant for full-length CSNK1G2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Casein kinase I isoform gamma-3" "Kinase" "Q9Y6M4" "CSNK1G3" "KC1G3_HUMAN" 6.62 "Kd" "Binding constant for full-length CSNK1G3" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.41 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase tousled-like 1" "Kinase" "Q9UKI8" "TLK1" "TLK1_HUMAN" 6.13 "Kd" "Binding constant for TLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase tousled-like 2" "Kinase" "Q86UE8" "TLK2" "TLK2_HUMAN" 6.48 "Kd" "Binding constant for TLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 5.29 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 7.09 "Kd" "Binding constant for full-length CSNK2A1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 6.8 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.64 "Kd" "Binding constant for full-length DYRK1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.21 "Kd" "Binding constant for full-length IKK-epsilon" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 7.42 "Kd" "Binding constant for full-length LKB1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.77 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 6.46 "Kd" "Binding constant for full-length MELK" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 5.41 "Kd" "Binding constant for MKNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 6.47 "Kd" "Binding constant for full-length MST4" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase Nek7" "Kinase" "Q8TDX7" "NEK7" "NEK7_HUMAN" 5.39 "Kd" "Binding constant for full-length NEK7" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 6.74 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 6.37 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 6.03 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 5.42 "Kd" "Binding constant for full-length RIOK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.24 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 6.6 "Kd" "Binding constant for full-length SRPK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 6.72 "Kd" "Binding constant for full-length SRPK2" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 7.77 "Kd" "Binding constant for full-length STK33" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "5'-AMP-activated protein kinase catalytic subunit alpha-2" "Kinase" "P54646" "PRKAA2" "AAPK2_HUMAN" 7.05 "Kd" "Binding constant for AMPK-alpha2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 6.51 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 5.54 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 6.2 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 6.34 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.74 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.8 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase PAK 6" "Kinase" "Q9NQU5" "PAK6" "PAK6_HUMAN" 5.62 "Kd" "Binding constant for PAK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase PAK 7" "Kinase" "Q9P286" "PAK5" "PAK5_HUMAN" 6.19 "Kd" "Binding constant for PAK7/PAK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 7.32 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 5.62 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.74 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.42 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 7.19 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 6.24 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase BRSK1" "Kinase" "Q8TDC3" "BRSK1" "BRSK1_HUMAN" 5.46 "Kd" "Binding constant for BRSK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.85 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase MARK1" "Kinase" "Q9P0L2" "MARK1" "MARK1_HUMAN" 5.92 "Kd" "Binding constant for MARK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "MAP/microtubule affinity-regulating kinase 4" "Kinase" "Q96L34" "MARK4" "MARK4_HUMAN" 5.44 "Kd" "Binding constant for MARK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 6.15 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.28 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 7.59 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Calcium/calmodulin-dependent protein kinase type IV" "Kinase" "Q16566" "CAMK4" "KCC4_HUMAN" 6.05 "Kd" "Binding constant for CAMK4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Myosin light chain kinase, smooth muscle" "Kinase" "P11799" "Mylk" "MYLK_CHICK" 7.64 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Gallus gallus" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.47 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 5.89 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 7.2 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.31 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.41 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Casein kinase I isoform gamma-1" "Kinase" "Q9HCP0" "CSNK1G1" "KC1G1_HUMAN" 6.03 "Kd" "Binding constant for CSNK1G1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 6.92 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 6.43 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase DCLK2" "Kinase" "Q8N568" "DCLK2" "DCLK2_HUMAN" 5.57 "Kd" "Binding constant for DCAMKL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Myosin-IIIa" "Kinase" "Q8NEV4" "MYO3A" "MYO3A_HUMAN" 5.51 "Kd" "Binding constant for MYO3A kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.35 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.64 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase BRSK2" "Kinase" "Q8IWQ3" "BRSK2" "BRSK2_HUMAN" 5.96 "Kd" "Binding constant for full-length BRSK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 5.49 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 5 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 6.42 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 6.55 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 6.17 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 6.43 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.02 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 5.68 "Kd" "Binding constant for FGFR4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 7.02 "Kd" "Binding affinity to RPS6KA4(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 7.02 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 4.89 "IC50" "Inhibition of recombinant PI3Kgamma by radioactive phosphotransfer assay in presence of 10 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Casein kinase I isoform alpha" "Kinase" "P48729" "CSNK1A1" "KC1A_HUMAN" 7 "Kd" "Binding constant for CSNK1A1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 7.48 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 7.54 "Kd" "Binding affinity to MINK" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.92 "Kd" "Binding affinity to TBK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 7.18 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 5.7 "Kd" "Binding constant for CDK4-cyclinD3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sunitinib" 2544 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 5.96 "Kd" "Binding affinity to CDKL2" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 8.15 "Kd" "Binding affinity to CHEK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Protein delta homolog 1" "Unclassified" "P80370" "DLK1" "DLK1_HUMAN" 7 "Kd" "Binding affinity to DLK" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 6.7 "Kd" "Binding affinity to DYRK1A" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 6.17 "Kd" "Binding affinity to DYRK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.07 "Kd" "Binding affinity to EPHB6" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 6.22 "Kd" "Binding affinity to ERN1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 6.54 "Kd" "Binding affinity to GRK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 6.85 "Kd" "Binding affinity to GRK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 6.74 "Kd" "Binding affinity to GRK7" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 7.51 "Kd" "Binding affinity to HIPK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 7.39 "Kd" "Binding affinity to HIPK3" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.8 "Kd" "Binding affinity to HIPK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 6.3 "Kd" "Binding affinity to HUNK" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 6.33 "Kd" "Binding affinity to ICK" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Inhibitor of nuclear factor kappa-B kinase subunit alpha" "Kinase" "O15111" "CHUK" "IKKA_HUMAN" 6.28 "Kd" "Binding affinity to IKK-alpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 7.85 "Kd" "Binding affinity to IRAK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 7.02 "Kd" "Binding affinity to LZK" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 7.24 "Kd" "Binding affinity to MAP3K2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.66 "Kd" "Binding affinity to MAP3K3" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 6.7 "Kd" "Binding affinity to MAST1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 38" "Kinase" "Q15208" "STK38" "STK38_HUMAN" 6.39 "Kd" "Binding affinity to NDR1" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase NIM1" "Kinase" "Q8IY84" "NIM1K" "NIM1_HUMAN" 6.07 "Kd" "Binding affinity to NIM1" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase OSR1" "Kinase" "O95747" "OXSR1" "OXSR1_HUMAN" 6.28 "Kd" "Binding affinity to OSR1" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "U4/U6 small nuclear ribonucleoprotein Prp4" "Nuclear other" "O43172" "PRPF4" "PRP4_HUMAN" 6.41 "Kd" "Binding affinity to PRP4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase RIO2" "Kinase" "Q9BVS4" "RIOK2" "RIOK2_HUMAN" 7.31 "Kd" "Binding affinity to RIOK2" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 7.23 "Kd" "Binding affinity to SRPK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 6.85 "Kd" "Binding affinity to STK39" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 7.03 "Kd" "Binding affinity to TAK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 6.05 "Kd" "Binding affinity to TAOK1" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 6.68 "Kd" "Binding affinity to TAOK3" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 7.64 "Kd" "Binding affinity to ULK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 7.89 "Kd" "Binding affinity to ULK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 7.38 "Kd" "Binding affinity to ULK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.77 "Kd" "Binding affinity to YSK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 7.26 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 15" "Kinase" "Q6ZN16" "MAP3K15" "M3K15_HUMAN" 5.89 "Kd" "Binding affinity to MAP3K15" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase PLK2" "Kinase" "Q9NYY3" "PLK2" "PLK2_HUMAN" 5.33 "Kd" "Binding affinity to PLK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.68 "Kd" "Binding affinity to RIPK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Uncharacterized serine/threonine-protein kinase SBK3" "Kinase" "P0C264" "SBK3" "SBK3_HUMAN" 5.72 "Kd" "Binding affinity to SgK110" "CHEMBL" "=" "Tdark" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 5.89 "Kd" "Binding affinity to STK35" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 5.05 "Kd" "Binding affinity to TNK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Megakaryocyte-associated tyrosine-protein kinase" "Kinase" "P42679" "MATK" "MATK_HUMAN" 5.11 "Kd" "Binding constant for CTK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 5.62 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 6.7 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 6.41 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 7 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 6.66 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "SNF-related serine/threonine-protein kinase" "Kinase" "Q9NRH2" "SNRK" "SNRK_HUMAN" 6.19 "Kd" "Binding constant for SNRK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 7.34 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 7.64 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 7.12 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 5.89 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "sunitinib" 2544 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 5.89 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "Plasmodium falciparum" "sunitinib" 2544 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 7.06 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "sunitinib" 2544 "Bromodomain-containing protein 9" "Unclassified" "Q9H8M2" "BRD9" "BRD9_HUMAN" 4.77 "Kd" "Binding affinity to BRD9 (unknown origin) assessed as dissociation constant by qPCR analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 5.62 "Kd" "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22037378" "Tchem" "Homo sapiens" "sunitinib" 2544 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.509 "Kd" "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22037378" "Tchem" "Homo sapiens" "sunitinib" 2544 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.8 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021938s027lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.229 "IC50" "inhibition at physiological ATP concentration" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/23279183" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021938s027lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "sunitinib" 2544 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 6.959 "IC50" "inhibition at physiological ATP concentration" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/23279183" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021938s027lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "suprofen" 2546 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 5.06 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL956" "INHIBITOR" "Tclin" "Homo sapiens" "suprofen" 2546 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.96 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL956" "INHIBITOR" "Tclin" "Homo sapiens" "suprofen" 2546 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.347 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "secretin human" 2548 "Secretin receptor" "GPCR" "P47872" "SCTR" "SCTR_HUMAN" 9.7 "EC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201488" "AGONIST" "Tclin" "Homo sapiens" "tacrine" 2551 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.29 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tacrine" 2551 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.301 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "tacrine" 2551 "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" "tacrine" 2551 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.954 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.14 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1677" "INHIBITOR" "Tclin" "Homo sapiens" "tacrine" 2551 "Acetylcholine receptor subunit epsilon" "Ion channel" "Q04844" "CHRNE" "ACHE_HUMAN" 7.36 "IC50" "Inhibition of acetylcholinesterase" "CHEMBL" "=" "Tclin" "Homo sapiens" "tacrine" 2551 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.66 "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" "tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 7.4 "Ki" "Inhibition of Torpedo californica AChE" "CHEMBL" "=" "Torpedo californica" "tacrine" 2551 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.56 "IC50" "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 5.68 "IC50" "Binding affinity against mouse M2 muscarinic receptor using heart tissue and [3H]N-methylscopolamine" "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 7.74 "Kd" "Dissociation constant towards Acetylcholinesterase in mouse" "CHEMBL" "=" "Mus musculus" "tacrine" 2551 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 8.05 "IC50" "Inhibition of rat plasma butyrylcholine esterase in presence of butyrylcholine substrate by chemiluminescent assay" "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 7.34 "IC50" "Inhibition of Acetylcholinesterase in rat red blood cell" "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 8 "Ki" "Tested for in vitro inhibition of acetylcholinesterase" "CHEMBL" "=" "Electrophorus electricus" "tacrine" 2551 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 7.4 "Ki" "Inhibition of fetal Bovine serum AChE" "CHEMBL" "=" "Bos taurus" "tacrine" 2551 "Choline O-acetyltransferase" "Enzyme" "P32738" "Chat" "CLAT_RAT" 9.82 "Ki" "Inhibition constant determined against Acetylcholinesterase (AChE) receptor." "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 5.7 "IC50" "Binding affinity against mouse Muscarinic acetylcholine receptor M1 using cerebral cortex and [3H]pirenzepine" "CHEMBL" "=" "Mus musculus" "tacrine" 2551 "Muscarinic acetylcholine receptor M2" "GPCR" "Q9ERZ4" "Chrm2" "ACM2_MOUSE" 6.66 "Ki" "Ability to displace [3H]oxotremorine ([3H]-OXO-M) from mouse cerebral cortex" "CHEMBL" "=" "Mus musculus" "tacrine" 2551 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 7.4 "IC50" "Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Cholinesterase" "Enzyme" "Q03311" "Bche" "CHLE_MOUSE" 7.2 "IC50" "Inhibition of BuChE in Swiss Webster mouse whole blood serum using butyrylthiocholine iodide as substrate preincubated for 10 mins followed substrate addition measured after 10 mins by Ellman's method" "CHEMBL" "=" "Mus musculus" "tacrine" 2551 "Histamine N-methyltransferase" "Enzyme" "Q01984" "Hnmt" "HNMT_RAT" 6.96 "IC50" "Inhibition of rat kidney Histamine N-Methyltransferase (HMT) activity determined by the formation of N-methyl-histamine" "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 8.15 "Ki" "Inhibition of Equine Butyrylcholinesterase" "CHEMBL" "=" "Equus caballus" "tacrine" 2551 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 5.2 "EC50" "Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor" "CHEMBL" "=" "Sus scrofa" "tacrine" 2551 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 8.61 "IC50" "Inhibition of equine BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins before substrate addition measured for 10 mins by Ellman's method" "CHEMBL" "=" "Equus caballus" "tacrine" 2551 "Glutamate NMDA receptor; GRIN1/GRIN2B" "Ion channel" "Q05586|Q13224" "GRIN1|GRIN2B" "NMDZ1_HUMAN|NMDE2_HUMAN" 4.36 "IC50" "Inhibition of dexamethasone-induced human NR1-1a/NR2B receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L13-E6 cells assessed as LDH release after 30 mins" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tacrine" 2551 "Glutamate NMDA receptor; GRIN1/GRIN2A" "Ion channel" "Q05586|Q12879" "GRIN1|GRIN2A" "NMDZ1_HUMAN|NMDE1_HUMAN" 5.31 "IC50" "Inhibition of dexamethasone-induced human NR1-1a/NR2A receptor-mediated excitotoxicity in (S)-glutamate/glycine-stimulated mouse L12-G10 cells assessed as LDH release after 30 mins" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tacrine" 2551 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 5.23 "IC50" "Inhibition of [3H]quinuclidinyl benzilate (QNB) binding from rat forebrain membranes in the presence of Zn" "CHEMBL" "=" "Rattus norvegicus" "tacrine" 2551 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 7.91 "IC50" "Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay" "CHEMBL" "=" "Homo sapiens" "tacrine" 2551 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24508831" "https://pubmed.ncbi.nlm.nih.gov/24508831" "INHIBITOR" "Tclin" "Homo sapiens" "tacrolimus" 2552 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tacrolimus" 2552 "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" "tacrolimus" 2552 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 10.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tacrolimus" 2552 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" 10.22 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 9.398 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL269732" "INHIBITOR" "Tclin" "Homo sapiens" "tacrolimus" 2552 "Interleukin-2" "Cytokine" "P60568" "IL2" "IL2_HUMAN" 9.72 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tacrolimus" 2552 "Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform" "Enzyme" "P48454" "PPP3CC" "PP2BC_HUMAN" 7.456 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "tacrolimus" 2552 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 9.02 "IC50" "Inhibitory activity against macrophilin (FKBP-12)" "CHEMBL" "=" "Tclin" "Homo sapiens" "tacrolimus" 2552 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 7.7 "Kd" "Binding affinity to protein phosphatase, calcineurin (CN) was determined" "CHEMBL" "=" "Tchem" "Homo sapiens" "tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP1B" "Enzyme" "P68106" "FKBP1B" "FKB1B_HUMAN" 9.4 "Kd" "CHEMBL" "=" "Tchem" "Homo sapiens" "tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP5" "Enzyme" "Q13451" "FKBP5" "FKBP5_HUMAN" 7.1 "Ki" "Binding affinity to human FKBP51 by competitive fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tacrolimus" 2552 "Splicing factor 3B subunit 3" "Nuclear other" "Q15393" "SF3B3" "SF3B3_HUMAN" 7.96 "IC50" "Inhibition of SAP130 mediated cell growth in human WiDr cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "tacrolimus" 2552 "Peptidyl-prolyl cis-trans isomerase FKBP10" "Enzyme" "Q96AY3" "FKBP10" "FKB10_HUMAN" 9.02 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "tadalafil" 2553 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4 "IC50" "Inhibition of human ERG channel in HEK293 cells by voltage-clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "tadalafil" 2553 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 8 "Ki" "Inhibition of human phosphodiesterase 5" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL779" "INHIBITOR" "Tclin" "Homo sapiens" "tadalafil" 2553 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 7.48 "IC50" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "Tchem" "Homo sapiens" "tadalafil" 2553 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 4.58 "IC50" "Inhibition of AChE from rat cortex by Ellman's method" "CHEMBL" "=" "Rattus norvegicus" "tadalafil" 2553 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O54735" "Pde5a" "PDE5A_RAT" 8.3 "Ki" "Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells" "CHEMBL" "=" "Rattus norvegicus" "tadalafil" 2553 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "Q28156" "PDE5A" "PDE5A_BOVIN" 8.48 "IC50" "Inhibition of bovine PDE5 after 24 hrs by HTRF" "CHEMBL" "=" "Bos taurus" "tadalafil" 2553 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P11541" "PDE6A" "PDE6A_BOVIN" 5.52 "IC50" "Inhibition of bovine retina PDE6" "CHEMBL" "=" "Bos taurus" "tadalafil" 2553 "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" 6.01 "IC50" "Inhibition of human phosphodiesterase 6" "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" "Homo sapiens" "tadalafil" 2553 "Phosphodiesterase 6" "Enzyme" "P04972|P11541|P16586|P22571|P23439|Q95142" "PDE6G|PDE6A|PDE6C|PDE6H|PDE6B|PDE6D" "CNRG_BOVIN|PDE6A_BOVIN|PDE6C_BOVIN|CNCG_BOVIN|PDE6B_BOVIN|PDE6D_BOVIN" 5.29 "IC50" "Inhibition of bovine retina PDE6 (Phosphodiesterase 6)" "CHEMBL" "=" "Bos taurus" "tadalafil" 2553 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 4.58 "IC50" "Inhibition of AChE from rat cortex by Ellman's method" "CHEMBL" "=" "Rattus norvegicus" "talbutal" 2556 "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/CHEMBL1200802" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "talinolol" 2557 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.62 "Ki" "Binding affinity to beta1 adrenergic receptor (unknown origin) by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "talinolol" 2557 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.05 "Ki" "Binding affinity to beta2 adrenergic receptor (unknown origin) by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "talinolol" 2557 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "talinolol" 2557 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 5.55 "IC50" "Inhibition of recombinant human full length soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "talinolol" 2557 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.05 "Ki" "Binding affinity to beta2 adrenergic receptor (unknown origin) by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "talinolol" 2557 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 5.55 "IC50" "Inhibition of recombinant human full length soluble epoxide hydrolase (1 to 555 residues) expressed in Escherichia coli BL21(DE3) using non-fluorescent PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by fluorescence based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "talipexole" 2558 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.309 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.915 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.77 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.69 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.481 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.46 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "talipexole" 2558 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.695 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.48 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "talipexole" 2558 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.9 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.41 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "talipexole" 2558 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.24 "Ki" "In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 high)" "CHEMBL" "=" "Rattus norvegicus" "talipexole" 2558 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.6 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.5*10e-8" "CHEMBL" "=" "Rattus norvegicus" "taltirelin" 2560 "Thyrotropin-releasing hormone receptor" "GPCR" "P34981" "TRHR" "TRFR_HUMAN" 6.5 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15931571" "AGONIST" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 4.807 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "tamoxifen" 2561 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.001 "Ki" "DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.46 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.357 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.146 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.372 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.335 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 5.4 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.139 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.5 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.8 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 8.301 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.907 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.836 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.158 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.863 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.877 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.618 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.98 "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" "tamoxifen" 2561 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.794 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.439 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.034 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.167 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.557 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.201 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.173 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.731 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.658 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "tamoxifen" 2561 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.238 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.835 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.858 "Ki" "DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.679 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 7.456 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.407 "Ki" "DRUGMATRIX: Dopamine D4.2 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.611 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 5.204 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 7.51 "Ki" "Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL83" "MODULATOR" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 6.89 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.328 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.91 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "G-protein coupled estrogen receptor 1" "GPCR" "Q99527" "GPER1" "GPER1_HUMAN" 7.5 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Estrogen-related receptor gamma" "Nuclear hormone receptor" "P62508" "ESRRG" "ERR3_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.449 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 5.069 "Ki" "DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.095 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.923 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.53 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.038 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Steroid hormone receptor ERR1" "Nuclear hormone receptor" "P11474" "ESRRA" "ERR1_HUMAN" 6.7 "IC50" "Antagonist activity at ERalpha receptor in human MCF7 cells assessed as inhibition of cell growth after 6 days by crystal violet staining method" "CHEMBL" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.913 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.821 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "tamoxifen" 2561 "B2 bradykinin receptor" "GPCR" "P30411" "BDKRB2" "BKRB2_HUMAN" 4.919 "Ki" "DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 4.533 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tamoxifen" 2561 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 4.604 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 4.761 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.419 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "tamoxifen" 2561 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 4.515 "IC50" "DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.587 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "tamoxifen" 2561 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.66 "IC50" "CHEMBL" "=" "Rattus norvegicus" "tamoxifen" 2561 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 4.92 "IC50" "CHEMBL" "=" "Rattus norvegicus" "tamoxifen" 2561 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.82 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "tamoxifen" 2561 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.061 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Emopamil-binding protein-like" "Enzyme" "Q9BY08" "EBPL" "EBPL_HUMAN" 8.55 "Ki" "Binding affinity to emopamil binding protein (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tamoxifen" 2561 "Anti-estrogen binding site (AEBS)" "Enzyme" "Q15125|Q9UBM7" "EBP|DHCR7" "EBP_HUMAN|DHCR7_HUMAN" 9 "Kd" "Binding affinity towards antiestrogen binding site AEBS" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem" "Homo sapiens" "tamoxifen" 2561 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.4 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "Aliivibrio fischeri" "tamsulosin" 2562 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.89 "Ki" "Binding affinity towards recombinant human Dopamine receptor D2L was determined using [3H]spiperone as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.87 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-2A adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.1 "Ki" "Binding affinity towards recombinant human Compound at 1 uM was tested for the inhibition of radioligand [3H]8-OH-DPAT binding to recombinant human 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.08 "Ki" "Binding affinity towards recombinant human 5-hydroxytryptamine 7 receptor was determined using [3H]LSD as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 10.54 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]prazosin as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.55 "Ki" "Binding affinity towards recombinant human Dopamine receptor D3 was determined using [3H]spiperone as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 8.1 "Ki" "Binding affinity against human Alpha-2C adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 10.24 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]prazosin as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.21 "Ki" "Binding affinity against human adrenergic receptor subtype Alpha-1B adrenergic receptor using [3H]prazosin as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamsulosin" 2562 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 10.52 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1A" "CHEMBL" "=" "Rattus norvegicus" "tamsulosin" 2562 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.17 "Ki" "Binding affinity against rat Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "tamsulosin" 2562 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 10.15 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell" "CHEMBL" "=" "Rattus norvegicus" "tamsulosin" 2562 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.9 "Ki" "CHEMBL" "=" "Bos taurus" "tamsulosin" 2562 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.7 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell" "CHEMBL" "=" "Mesocricetus auratus" "tamsulosin" 2562 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.03 "Ki" "Binding affinity towards 5-hydroxytryptamine 1 receptor was determined in rat cerebral cortex using [3H]5-HT as radioligand" "CHEMBL" "=" "Rattus norvegicus" "tandospirone" 2563 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.55 "Ki" "Binding affinity for DA2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "tandospirone" 2563 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.49 "Ki" "Binding affinity to 5-hydroxytryptamine 1A receptor was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "tandospirone" 2563 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.14 "Ki" "Binding affinity to Dopamine receptor D4 was determined" "CHEMBL" "=" "Tchem" "Homo sapiens" "tazarotene" 2571 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 7.2 "EC50" "Activity at human RARalpha ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "AGONIST" "Tclin" "Homo sapiens" "tazarotene" 2571 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 9.1 "EC50" "Activity at human RARbeta ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "AGONIST" "Tclin" "Homo sapiens" "tazarotene" 2571 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 7.4 "EC50" "Activity at human RARgamma ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1657" "AGONIST" "Tclin" "Homo sapiens" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "P00808" "penP" "BLAC_BACLI" 6.29 "IC50" "Compound was tested for inhibition of Beta-lactamase from Bacillus licheniformis 749/C" "CHEMBL" "=" "Bacillus licheniformis" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "P00807" "blaZ" "BLAC_STAAU" 6.527 "IC50" "WOMBAT-PK" "=" "Staphylococcus aureus" "tazobactam" 2572 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 6.602 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL404" "INHIBITOR" "Escherichia coli" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 7.824 "IC50" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q59401" "Q59401_ENTCL" 5.47 "IC50" "The compound was evaluated for inhibition against the GC1 extended spectrum Class C beta-lactamase" "CHEMBL" "=" "Enterobacter cloacae" "tazobactam" 2572 "Beta-lactamase SHV-1" "Enzyme" "P0AD63" "bla" "BLA1_ECOLX" 6.65 "IC50" "Inhibition of Escherichia coli SHV1" "CHEMBL" "=" "Escherichia coli" "tazobactam" 2572 "Beta-lactamase 1" "Enzyme" "P10424" "penPC" "BLA1_BACCE" 6.524 "IC50" "DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin)" "DRUG MATRIX" "=" "Bacillus cereus" "tazobactam" 2572 "IMI-1; IMI-1 carbapenemase" "Enzyme" "Q46991" "imiA" "Q46991_ENTCL" 7.52 "IC50" "In vitro inhibitory activity against Class A (Imi-1) beta-Lactamases" "CHEMBL" "=" "Enterobacter cloacae" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 7 "IC50" "In vitro inhibitory activity against Beta-lactamase TEM-1 of class A enzyme" "CHEMBL" "=" "Enterobacter cloacae" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q6W9J1" "blaTEM-1" "Q6W9J1_ENTCL" 7.22 "IC50" "Inhibitory activity against class A Beta-lactamase TEM isolated from Enterobacter coli" "CHEMBL" "=" "Enterobacter cloacae" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 6.09 "IC50" "Compound was tested for inhibition of Beta-lactamase from Pseudomonas aeruginosa 18SH" "CHEMBL" "=" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "P94958" "ampC" "AMPC_MORMO" 6.72 "IC50" "Compound was tested for inhibition of beta-Lactamases from Morganell morgani U1627" "CHEMBL" "=" "Morganella morganii" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "P05193" "ampC" "AMPC_CITFR" 6.03 "IC50" "Compound was tested for inhibition of Beta-lactamase from Citrobacter freundii 1982" "CHEMBL" "=" "Citrobacter freundii" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "A4KCT8" "BlaGIL-1" "A4KCT8_9ENTR" 7.4 "IC50" "Inhibition of Citrobacter gillenii CIP 106783 Beta-lactamase GIL1 expressed in Escherichia coli DH10B" "CHEMBL" "=" "Citrobacter gillenii" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "A1E3K9" "blaSCO-1" "A1E3K9_ECOLX" 8 "IC50" "Inhibition of Escherichia coli beta-lactamase SCO1" "CHEMBL" "=" "Escherichia coli" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "A8RR46" "bcl1" "A8RR46_BACCS" 8.4 "IC50" "Inhibition of Bacillus clausii NR beta-lactamase BCL1 expressed in Escherichia coli BL21 (DE3)" "CHEMBL" "=" "Bacillus clausii" "tazobactam" 2572 "Carbapenem-hydrolizing beta-lactamase SFC-1" "Enzyme" "Q6JP75" "Q6JP75_SERFO" 5.16 "IC50" "Inhibition of Serratia fonticola UTAD54 SFC1 beta lactamase expressed in Escherichia coli BL21(DE3) by SDS-PAGE" "CHEMBL" "=" "Serratia fonticola" "tazobactam" 2572 "Carbepenem-hydrolyzing beta-lactamase KPC" "Enzyme" "Q9F663" "bla" "BLKPC_KLEPN" 4.13 "Ki" "Inhibition of Klebsiella pneumoniae 1534 beta-lactamase KPC-2 by competitive assay" "CHEMBL" "=" "Klebsiella pneumoniae" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "A2RP81" "blaPER-2" "A2RP81_CITFR" 7.02 "IC50" "Inhibition of Citrobacter freundii PER2 beta lactamase" "CHEMBL" "=" "Citrobacter freundii" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q9EXV5" "blaUOE-1" "Q9EXV5_ECOLX" 8.7 "IC50" "Inhibition of Escherichia coli CTX-M-15" "CHEMBL" "=" "Escherichia coli" "tazobactam" 2572 "Beta-lactamase SHV-1" "Enzyme" "P0AD64" "bla" "BLA1_KLEPN" 6.96 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-1" "CHEMBL" "=" "Klebsiella pneumoniae" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q6GWS8" "blaTEM-125" "Q6GWS8_ECOLX" 6.62 "IC50" "Inhibition of Escherichia coli DH5alpha beta-lactamase TEM-158" "CHEMBL" "=" "Escherichia coli" "tazobactam" 2572 "Beta-lactamase GES-13" "Enzyme" "D1MIX9" "blaGES-13" "D1MIX9_PSEAI" 7.22 "IC50" "Inhibition of Pseudomonas aeruginosa GES-13 beta lactamase" "CHEMBL" "=" "Pseudomonas aeruginosa" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "A0ZX81" "blaSHV-72" "A0ZX81_KLEPN" 7.1 "IC50" "Inhibition of Klebsiella pneumoniae Beta-Lactamase SHV-72" "CHEMBL" "=" "Klebsiella pneumoniae" "tazobactam" 2572 "Class D beta-lactamase" "Unclassified" "Q50H31" "oxa-63" "Q50H31_BRAPL" 6.8 "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" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "B8R6A5" "penB1" "B8R6A5_9BURK" 6.3 "IC50" "Inhibition of Burkholderia cenocepacia 07-34 beta-lactamase PenB1" "CHEMBL" "=" "Burkholderia cenocepacia" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q2XPY6" "blaCTX-M-53" "Q2XPY6_SALET" 8.66 "IC50" "Inhibition of Salmonella enterica serotype Westhampton beta-lactamase CTX-M-53" "CHEMBL" "=" "Salmonella enterica subsp. enterica serovar Westhampton" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "D2SSQ3" "" "D2SSQ3_PSEAI" 5.7 "IC50" "Inhibition of Pseudomonas aeruginosa 531 beta-lactamase BEL-2" "CHEMBL" "=" "Pseudomonas aeruginosa" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q3SAW3" "bla(BEL1)" "Q3SAW3_PSEAI" 5.7 "IC50" "Inhibition of Pseudomonas aeruginosa 51170 beta-lactamase BEL-1" "CHEMBL" "=" "Pseudomonas aeruginosa" "tazobactam" 2572 "Beta-lactamase" "Enzyme" "Q670S6" "" "Q670S6_PSELU" 7.4 "IC50" "Inhibition of Pseudomonas luteola LAM Beta-lactamase LUT-1" "CHEMBL" "=" "Pseudomonas luteola" "tegaserod" 2579 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 7.9 "EC50" "Induction of 5-HT4 receptor-mediated contraction in guinea pig longitudinal muscle myenteric plexus" "CHEMBL" "=" "Cavia porcellus" "tegaserod" 2579 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "tegaserod" 2579 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "tegaserod" 2579 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "tegaserod" 2579 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.6 "Ki" "Binding affinity to human recombinant 5HT3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "tegaserod" 2579 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 8.4 "Ki" "Binding affinity at 5HT4 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL76370" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "teicoplanin aglycone" 2580 "Cathepsin L1" "Enzyme" "P07711" "CTSL" "CATL1_HUMAN" 5.78 "IC50" "Teicoplanin potently prevents the entrance of 2019-nCoV-Spike-pseudoviruses into the cytoplasm" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://dx.doi.org/10.1101/2020.02.05.935387" "http://dx.doi.org/10.1101/2020.02.05.935387" "INHIBITOR" "Tclin" "Homo sapiens" "telithromycin" 2581 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.4 "IC50" "Inhibition of human ERG by patch-clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "telmisartan" 2583 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 5.22 "Ki" "Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "telmisartan" 2583 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.49 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "telmisartan" 2583 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.31 "IC50" "Displacement of [125I]Tyr4-Sar1,Ile8-Angiotensin II from human Angiotensin 1 receptor after 60 mins by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1017" "ANTAGONIST" "Tclin" "Homo sapiens" "telmisartan" 2583 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.82 "EC50" "Partial agonist activity at human PPARgamma-LBD/Gal4 DNA binding domain by transactivation assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "telmisartan" 2583 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 9.48 "IC50" "Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT2 receptor after 180 mins by gamma counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "telmisartan" 2583 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.52 "IC50" "Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor in rat lung membrane preparation" "CHEMBL" "=" "Rattus norvegicus" "telmisartan" 2583 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 9.64 "Ki" "Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane" "CHEMBL" "=" "Rattus norvegicus" "telmisartan" 2583 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 4.75 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "temazepam" 2585 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "temazepam" 2585 "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/CHEMBL967" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "temocapril" 2586 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 8.444 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/2851680" "INHIBITOR" "Oryctolagus cuniculus" "temocapril" 2586 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8427943" "INHIBITOR" "Tclin" "Homo sapiens" "teniposide" 2590 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "teniposide" 2590 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "Mechanism of Action; CHEMBL2094255; PROTEIN FAMILY" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL452231" "INHIBITOR" "Tclin" "Homo sapiens" "teniposide" 2590 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "teniposide" 2590 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "teniposide" 2590 "Canalicular multispecific organic anion transporter 2" "Transporter" "O15438" "ABCC3" "MRP3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "tenofovir" 2592 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 6.42 "IC50" "Inhibition of HIV1 reverse transcriptase" "CHEMBL" "=" "Human immunodeficiency virus 1" "tenofovir" 2592 "Capsid protein" "Unclassified" "Q03732" "HBcAg" "Q03732_HBV" 6.62 "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" "tenofovir disoproxil" 2593 "Gag-Pol polyprotein" "Polyprotein" "P03369" "gag-pol" "POL_HV1A2" "WOMBAT-PK" "Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2)" "tenofovir disoproxil" 2593 "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/CHEMBL1538" "INHIBITOR" "Human immunodeficiency virus 1" "tenoxicam" 2595 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "tenoxicam" 2595 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.943 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terbinafine" 2597 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.67 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terbinafine" 2597 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.628 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terbinafine" 2597 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.388 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terbinafine" 2597 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.699 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terbinafine" 2597 "Squalene monooxygenase" "Enzyme" "Q14534" "SQLE" "ERG1_HUMAN" 7.52 "Ki" "Inhibitory activity against Candida albicans Squalene Epoxidase" "CHEMBL" "=" "Tchem" "Homo sapiens" "terbinafine" 2597 "Squalene epoxidase" "Enzyme" "Q4JEY0" "Q4JEY0_TRIRU" "Mechanism of Action; CHEMBL2364679; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL822" "INHIBITOR" "Trichophyton rubrum" "terbinafine" 2597 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.662 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "terbinafine" 2597 "Squalene monooxygenase" "Enzyme" "P52020" "Sqle" "ERG1_RAT" 4.03 "IC50" "Inhibitory activity against rat liver Squalene Epoxidase" "CHEMBL" "=" "Rattus norvegicus" "terbutaline" 2598 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.6 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1760" "AGONIST" "Tclin" "Homo sapiens" "terbutaline" 2598 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.4 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "terconazole" 2599 "Sodium/nucleoside cotransporter 1" "Transporter" "O00337" "SLC28A1" "S28A1_HUMAN" 5.373 "Ki" "DRUGMATRIX: Sodium/nucleoside co-transporter radioligand binding (ligand: nitrobenzylthioinosine)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "terconazole" 2599 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 5.609 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808)" "DRUG MATRIX" "=" "Cavia porcellus" "terconazole" 2599 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 4.895 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.433 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.67 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.216 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 4.599 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.632 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.438 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.904 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.796 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.862 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.338 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.511 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.718 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.504 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.215 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.362 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.27 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1306" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "terconazole" 2599 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.666 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 4.963 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terconazole" 2599 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 5.52 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "terconazole" 2599 "Heme oxygenase 2" "Enzyme" "P23711" "Hmox2" "HMOX2_RAT" 5.3 "IC50" "Inhibition of rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography" "CHEMBL" "=" "Rattus norvegicus" "terconazole" 2599 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.612 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "terconazole" 2599 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.102 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "terconazole" 2599 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 4.389 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "terconazole" 2599 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.71 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "terconazole" 2599 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 4.88 "IC50" "CHEMBL" "=" "Rattus norvegicus" "terconazole" 2599 "Heme oxygenase 2" "Enzyme" "P23711" "Hmox2" "HMOX2_RAT" 5.3 "IC50" "Inhibition of rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chromatography" "CHEMBL" "=" "Rattus norvegicus" "terfenadine" 2600 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.874 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.687 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.252 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.854 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "terfenadine" 2600 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.719 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.137 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.523 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.19 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.218 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "terfenadine" 2600 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.292 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2608" "ANTAGONIST" "Tclin" "Homo sapiens" "terfenadine" 2600 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.54 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Muscarinic acetylcholine receptor M1" "CHEMBL" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.264 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.693 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.448 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 6.07 "Ki" "DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.213 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "terfenadine" 2600 "Cytochrome P450 2J2" "Enzyme" "P51589" "CYP2J2" "CP2J2_HUMAN" 5.09 "IC50" "Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 insect cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "terfenadine" 2600 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.05 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "terfenadine" 2600 "Potassium voltage-gated channel subfamily H member 1" "Ion channel" "O95259" "KCNH1" "KCNH1_HUMAN" 7.8 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "terfenadine" 2600 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.734 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "terfenadine" 2600 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.45 "Kd" "Dissociation constant was determined against H1 receptor of guinea pig lung membranes using radioligand binding assays." "CHEMBL" "=" "Cavia porcellus" "terfenadine" 2600 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 5.46 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "terfenadine" 2600 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1D|ADRA1A|ADRA1B" "ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" 5.63 "IC50" "Compound is evaluated for in vitro receptor binding affinity against Alpha-1 adrenergic receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "terfenadine" 2600 "Transcriptional activator protein luxR" "Unclassified" "P12746" "luxR" "LUXR_ALIFS" 4.04 "IC50" "Inhibition of LuxR-dependent quorum sensing in Vibrio fischeri assessed as reduction of 3-oxo-C6-HSL-induced bioluminescence intensity" "CHEMBL" "=" "Aliivibrio fischeri" "terguride" 2601 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.18 "Ki" "PDSP" "Tclin" "Homo sapiens" "terguride" 2601 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.7 "Ki" "PDSP" "Tclin" "Homo sapiens" "terguride" 2601 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.55 "Ki" "PDSP" "Tclin" "Homo sapiens" "terguride" 2601 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 9.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 7.63 "Ki" "PDSP" "Tchem" "Homo sapiens" "terguride" 2601 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "terguride" 2601 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.41 "Ki" "PDSP" "Tclin" "Homo sapiens" "terguride" 2601 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.46 "Ki" "PDSP" "Tclin" "Homo sapiens" "terguride" 2601 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.4 "IC50" "In vitro binding activity against dopamine receptor D2 from homogenized rat brain, using [3H]spiperone as the radioligand" "CHEMBL" "=" "Rattus norvegicus" "terguride" 2601 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.6 "IC50" "In vitro binding activity against 5-hydroxytryptamine 1A receptor from homogenized rat brain, using [3H]-8-OH-DPAT as the radioligand" "CHEMBL" "=" "Rattus norvegicus" "terguride" 2601 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.16 "IC50" "In vitro binding activity against Dopamine receptor D1 from homogenized rat brain, using [3H]SCH-23390 as the radioligand" "CHEMBL" "=" "Rattus norvegicus" "terguride" 2601 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.3 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21762037" "AGONIST" "Tclin" "Homo sapiens" "terguride" 2601 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.2 "Ki" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21762037" "ANTAGONIST" "Tclin" "Homo sapiens" "terodiline" 2603 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.3 "IC50" "Inhibitory concentration against IKr potassium channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "tertatolol" 2605 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.087 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "tertatolol" 2605 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "tertatolol" 2605 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 8.11 "Ki" "The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal membranes using [3H]8-OH-DPAT as radioligand in the presence of 1 mM of MnCl2" "CHEMBL" "=" "Rattus norvegicus" "tertatolol" 2605 "Beta-3 adrenergic receptor" "GPCR" "P25962" "Adrb3" "ADRB3_MOUSE" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "tertatolol" 2605 "Beta-3 adrenergic receptor" "GPCR" "P26255" "Adrb3" "ADRB3_RAT" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "testolactone" 2606 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.46 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1571" "INHIBITOR" "Tclin" "Homo sapiens" "testosterone" 2607 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.92 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "testosterone" 2607 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 5.837 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "testosterone" 2607 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.2 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL386630" "AGONIST" "Tclin" "Homo sapiens" "testosterone" 2607 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.22 "Ki" "Inhibition of human placental aromatase Cytochrome P450 19A1" "CHEMBL" "=" "Tclin" "Homo sapiens" "testosterone" 2607 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 6.72 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "testosterone" 2607 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.2 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "testosterone" 2607 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "testosterone" 2607 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.85 "Ki" "Inhibitory constant against rat prostate cytosol androgen receptor using [3H]mibolerone" "CHEMBL" "=" "Rattus norvegicus" "testosterone" 2607 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.599 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "testosterone" 2607 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 5.11 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "testosterone" 2607 "Steroid 5-alpha-reductase" "Enzyme" "P24008|P31214" "Srd5a1|Srd5a2" "S5A1_RAT|S5A2_RAT" 5.72 "IC50" "In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase" "CHEMBL" "=" "Rattus norvegicus" "testosterone" 2607 "Constitutive androstane receptor" "Nuclear hormone receptor" "O35627" "Nr1i3" "NR1I3_MOUSE" 4.52 "IC50" "Inhibitory concentration against mammalian m-constitutive androstane receptor (mCAR) activity" "CHEMBL" "=" "Mus musculus" "testosterone undecanoate" 2608 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107067" "AGONIST" "Tclin" "Homo sapiens" "tetrabenazine" 2609 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.678 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tetrabenazine" 2609 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.018 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tetrabenazine" 2609 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.886 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tetrabenazine" 2609 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" 7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL117785" "INHIBITOR" "Tclin" "Homo sapiens" "tetrabenazine" 2609 "Synaptic vesicular amine transporter" "Transporter" "Q27963" "SLC18A2" "VMAT2_BOVIN" 8.4 "Ki" "Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts" "CHEMBL" "=" "Bos taurus" "tetrabenazine" 2609 "Synaptic vesicular amine transporter" "Transporter" "Q01827" "Slc18a2" "VMAT2_RAT" 8.12 "Ki" "Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "tetrabenazine" 2609 "Chromaffin granule amine transporter" "Transporter" "P54219" "SLC18A1" "VMAT1_HUMAN" 4.7 "Ki" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "tetrabenazine" 2609 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.07 "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" "tetracaine" 2610 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 6.28 "IC50" "Inhibition of human NaV1.5 alpha subunit expressed in CHOK1 cells at -90 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin" "Homo sapiens" "tetracaine" 2610 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.153 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tetracaine" 2610 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.011 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tetracaine" 2610 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.766 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tetracaine" 2610 "Sodium channel protein type 2 subunit alpha" "Ion channel" "Q99250" "SCN2A" "SCN2A_HUMAN" 5.96 "IC50" "Inhibition of human NaV1.2 alpha subunit expressed in CHOK1 cells at -65 mV holding potential by patch clamp electrophysiological assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin" "Homo sapiens" "tetracaine" 2610 "Sodium channel protein type 8 subunit alpha" "Ion channel" "Q9UQD0" "SCN8A" "SCN8A_HUMAN" 6.28 "IC50" "Inhibition of recombinant human Nav1.6 expressed in HEK293 cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 mins by FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tetracaine" 2610 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 6.3 "Ki" "Displacement of [3H]BTX from human Nav1.7 expressed in human HEK293 cells after 1 hr by MicroBeta analyzer" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin" "Homo sapiens" "tetracaine" 2610 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.499 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tetracaine" 2610 "cGMP-gated cation channel alpha-1" "Ion channel" "Q00194" "CNGA1" "CNGA1_BOVIN" 5.17 "Kd" "Apparent dissociation constant against Cyclic nucleotide gated channel alpha 1 at +40 mV" "CHEMBL" "=" "Bos taurus" "tetracaine" 2610 "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" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL698" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tetracaine" 2610 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.22 "IC50" "Inhibition of [3H]batrachotoxin binding to rat brain neuronal membranes" "CHEMBL" "=" "Rattus norvegicus" "tetracycline" 2611 "30S ribosomal protein S4" "Ribosomal protein" "P0A7V8" "rpsD" "RS4_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "tetracycline" 2611 "30S ribosomal protein S9" "Ribosomal protein" "P0A7X3" "rpsI" "RS9_ECOLI" "WOMBAT-PK" "Escherichia coli (strain K12)" "sapropterin" 2612 "Nitric oxide synthase, brain" "Enzyme" "P29475" "NOS1" "NOS1_HUMAN" 5.95 "Kd" "Activity of tetrahydrobiopterin free nNOS" "CHEMBL" "=" "Tchem" "Homo sapiens" "sapropterin" 2612 "Phenylalanine-4-hydroxylase" "Enzyme" "P00439" "PAH" "PH4H_HUMAN" 5.4 "Ki" "Binding affinity for human PAH." "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201775" "ACTIVATOR" "Tclin" "Homo sapiens" "tetroxoprim" 2615 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 8.35 "Ki" "WOMBAT-PK" "=" "Escherichia coli (strain K12)" "tetroxoprim" 2615 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 6.26 "Ki" "Inhibitory activity against Lactobacillus casei dihydrofolate reductase" "CHEMBL" "=" "Lactobacillus casei" "tetroxoprim" 2615 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 7.74 "IC50" "Inhibitory activity against Dihydrofolate reductase of Escherichia coli" "CHEMBL" "=" "Escherichia coli" "tetroxoprim" 2615 "Dihydrofolate reductase" "Enzyme" "Q8Z9J9" "folA" "Q8Z9J9_SALTI" 8.35 "Ki" "CHEMBL" "=" "Salmonella typhi" "thalidomide" 2616 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.301 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thalidomide" 2616 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.432 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thalidomide" 2616 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 8 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thalidomide" 2616 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 6.43 "IC50" "Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin" "CHEMBL" "=" "Ovis aries" "thalidomide" 2616 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 6.3 "IC50" "Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin" "CHEMBL" "=" "Ovis aries" "thalidomide" 2616 "Cereblon isoform 4" "Unclassified" "A4TVL0" "A4TVL0_9PROT" 5.36 "Ki" "Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by Cheng-Prusoff equation analysis" "CHEMBL" "=" "Magnetospirillum gryphiswaldense" "thalidomide" 2616 "Protein cereblon" "Cytosolic other" "Q96SW2" "CRBN" "CRBN_HUMAN" 6.393 "EC50" "competitive titration of thalidomide with human DDB1-human CRBN (50 nM) and Cy5-thalidomide (20 nM)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25043012" "https://pubmed.ncbi.nlm.nih.gov/26131937" "MODULATOR" "Tclin" "Homo sapiens" "theophylline" 2620 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370561" "ANTAGONIST" "Tclin" "Homo sapiens" "theophylline" 2620 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 3.85 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370561" "INHIBITOR" "Tclin" "Homo sapiens" "theophylline" 2620 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370561" "ANTAGONIST" "Tclin" "Homo sapiens" "theophylline" 2620 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.57 "Ki" "Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370561" "ANTAGONIST" "Tclin" "Homo sapiens" "theophylline" 2620 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.85 "Ki" "Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells" "CHEMBL" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "theophylline" 2620 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 4.11 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1370561" "INHIBITOR" "Tclin" "Homo sapiens" "theophylline" 2620 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.09 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "Tchem" "Homo sapiens" "theophylline" 2620 "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" "theophylline" 2620 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.15 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "Rattus norvegicus" "theophylline" 2620 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.17 "Ki" "Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement." "CHEMBL" "=" "Rattus norvegicus" "theophylline" 2620 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 4.11 "Ki" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "Bos taurus" "theophylline" 2620 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.07 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "Rattus norvegicus" "theophylline" 2620 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 5.42 "Ki" "Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM" "CHEMBL" "=" "Bos taurus" "theophylline" 2620 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 5.01 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "Cavia porcellus" "theophylline" 2620 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2b|Adora2a" "AA2BR_RAT|AA2AR_RAT" 5.88 "Ki" "Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand" "CHEMBL" "=" "Rattus norvegicus" "theophylline" 2620 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 4.82 "Ki" "Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells" "CHEMBL" "=" "Rattus norvegicus" "theophylline" 2620 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora3|Adora2b|Adora2a" "AA1R_RAT|AA3R_RAT|AA2BR_RAT|AA2AR_RAT" 4.7 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "Rattus norvegicus" "theophylline" 2620 "Heart phosphodiesterase" "Enzyme" "E1BN64|P14100|Q01061" "PDE3B|PDE1A|PDE1B" "E1BN64_BOVIN|PDE1A_BOVIN|PDE1B_BOVIN" 4.04 "IC50" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "Bos taurus" "theophylline" 2620 "Adenosine A2a receptor" "GPCR" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.89 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "Cavia porcellus" "theophylline" 2620 "Adenosine receptor A2b" "GPCR" "Q60614" "Adora2b" "AA2BR_MOUSE" 5.25 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "theophylline" 2620 "Transmembrane domain-containing protein TMIGD3" "Unclassified" "P0DMS9" "TMIGD3" "TMIG3_HUMAN" 4.06 "Ki" "Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cells" "CHEMBL" "=" "Homo sapiens" "thiabendazole" 2621 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 4.22 "Kd" "Binding affinity to human FKBP12 expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiabendazole" 2621 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.097 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thiabendazole" 2621 "Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial" "Enzyme" "Q09508" "sdha-1" "SDHA_CAEEL" "WOMBAT-PK" "Caenorhabditis elegans" "thiabendazole" 2621 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 4.35 "IC50" "Inhibition of human MetAP2 expressed in baculovirus infected Sf9 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "thiabendazole" 2621 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 4.84 "IC50" "HIV-1 reverse transcriptase (RT) activity using Poly (rC)/oligo (dG) as template/primer and [3H]dGTP" "CHEMBL" "=" "Human immunodeficiency virus 1" "thiabendazole" 2621 "Methionine aminopeptidase" "Enzyme" "P0AE18" "map" "MAP1_ECOLI" 6.33 "IC50" "Inhibition of Co2+ loaded MetAP expressed in Escherichia coli" "CHEMBL" "=" "Escherichia coli (strain K12)" "thiabendazole" 2621 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 5.47 "EC50" "Inhibition of human methionine aminopeptidase 1 in presence of Co2+" "CHEMBL" "=" "Tchem" "Homo sapiens" "thiabendazole" 2621 "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/CHEMBL625" "INHIBITOR" "Echinococcus granulosus" "thiabendazole" 2621 "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/CHEMBL625" "INHIBITOR" "Ascaris suum" "thiamphenicol" 2624 "50S ribosomal protein L10" "Ribosomal protein" "P15825" "rpl10" "RL10_HALMA" "WOMBAT-PK" "Haloarcula marismortui (strain ATCC 43049 / DSM 3752 / JCM 8966 / VKM B-1809)" "thiamphenicol" 2624 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.12 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "thiamphenicol" 2624 "Streptokinase A" "Enzyme" "P10520" "ska" "STRP_STRP1" 5.77 "EC50" "WOMBAT-PK" "=" "Streptococcus pyogenes serotype M1" "thiamylal" 2626 "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/CHEMBL440" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "thiethylperazine" 2630 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1378" "ANTAGONIST" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.155 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.155 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.602 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "thiethylperazine" 2630 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.64 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "thiethylperazine" 2630 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.96 "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" "thioguanine" 2632 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.221 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioguanine" 2632 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.912 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thioguanine" 2632 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "thioguanine" 2632 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "thioguanine" 2632 "Inosine-5'-monophosphate dehydrogenase 1" "Enzyme" "P20839" "IMPDH1" "IMDH1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL727" "INHIBITOR" "Tclin" "Homo sapiens" "thioguanine" 2632 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 4.03 "IC50" "Inhibition of human xanthine oxidase" "CHEMBL" "=" "Tclin" "Homo sapiens" "thioguanine" 2632 "Inosine-5'-monophosphate dehydrogenase 2" "Enzyme" "P12268" "IMPDH2" "IMDH2_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL727" "INHIBITOR" "Tclin" "Homo sapiens" "thioguanine" 2632 "Hypoxanthine-guanine phosphoribosyltransferase" "Enzyme" "P00492" "HPRT1" "HPRT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "thioguanine" 2632 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.258 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thioguanine" 2632 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 4.792 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "thioguanine" 2632 "2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase" "Kinase" "P26281" "folK" "HPPK_ECOLI" 4.75 "Kd" "Binding affinity to GST-tagged Escherichia coli HPPK expressed in Escherichia coli by SPR assay based alternative equilibrium affinity method in presence of AMP-CPP" "CHEMBL" "=" "Escherichia coli (strain K12)" "thiopental" 2633 "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/CHEMBL738" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "thiopental" 2633 "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" 4.53 "IC50" "The concentration required to inhibit 50% of binding of [35S]TBPS to Gamma-aminobutyric acid A receptor to rat whole brain membranes." "CHEMBL" "=" "Rattus norvegicus" "thiopental" 2633 "Potassium voltage-gated channel subfamily C member 4" "Ion channel" "Q63734" "Kcnc4" "KCNC4_RAT" 4 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Rattus norvegicus" "thioproperazine" 2635 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.347 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioproperazine" 2635 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.921 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "thioridazine" 2637 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL479" "ANTAGONIST" "Tclin" "Homo sapiens" "thioridazine" 2637 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.872 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.815 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.9 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.813 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8 "EC50" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.086 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.15 "Ki" "Binding affinity towards human 5-hydroxytryptamine 7 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.9 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.466 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.3 "IC50" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "thioridazine" 2637 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "thioridazine" 2637 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "thioridazine" 2637 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.866 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.62 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "thioridazine" 2637 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.569 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.854 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.595 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.046 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.886 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 6.796 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.963 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.237 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.126 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.774 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.751 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.979 "Ki" "PDSP" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "thioridazine" 2637 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.686 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.62 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.002 "Ki" "DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.439 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "thioridazine" 2637 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.03 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thioridazine" 2637 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.712 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "thioridazine" 2637 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.531 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.195 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thioridazine" 2637 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.297 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thioridazine" 2637 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 5.16 "IC50" "Inhibition of PIM-1 (unknown origin) after 1 hr by HTRF assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "thioridazine" 2637 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.585 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "thioridazine" 2637 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.284 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "thioridazine" 2637 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 8.29 "IC50" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.55 "IC50" "In vitro binding affinity against Dopamine receptor D2 by displacement of [3H]haloperidol from rat striatal membranes." "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "thioridazine" 2637 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 7.76 "IC50" "Affinity for displacement of [3H]WB-4101 labeled Dopamine receptor D1" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 7 "IC50" "Binding affinity against Histamine H1 receptor was measured using radioligand ([3H]pyrilamine) binding assay" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "thioridazine" 2637 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.89 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "thioridazine" 2637 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 8.7 "IC50" "Displacement of [3H]quinuclidinyl benzilate (QNB) from Muscarinic acetylcholine receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 5.06 "IC50" "Displacement of [3H]-5-HT from serotonin-1 neurotransmitter receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 5.89 "IC50" "Displacement of [3H]clonidine from alpha-2 adrenergic receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 7.07 "IC50" "Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.19 "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" "thioridazine" 2637 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 7.74 "IC50" "Binding affinity towards 5-hydroxytryptamine 2 receptor was measured using radioligand ([3H]spiperone) binding assay" "CHEMBL" "=" "Rattus norvegicus" "thioridazine" 2637 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48542" "Kcnj6" "KCNJ6_MOUSE" 4.2 "EC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "thiotepa" 2638 "Cytochrome P450 2B6" "Enzyme" "P20813" "CYP2B6" "CP2B6_HUMAN" 5.32 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "thiothixene" 2639 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.292 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.347 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201" "ANTAGONIST" "Tclin" "Homo sapiens" "thiothixene" 2639 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.097 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.411 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.387 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.868 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.681 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.817 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.94 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.3 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.412 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.583 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "thiothixene" 2639 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "thiothixene" 2639 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.386 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.585 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.678 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.398 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.812 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.318 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.821 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.181 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.284 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.693 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.73 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.456 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "thiothixene" 2639 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.442 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "levothyroxine" 2646 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" "UNKNOWN" 1 "IUPHAR" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1624" "AGONIST" "Tclin" "Homo sapiens" "levothyroxine" 2646 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 8.52 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1624" "AGONIST" "Tclin" "Homo sapiens" "levothyroxine" 2646 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 4.98 "IC50" "Inhibition of TTR mediated fibrillogenesis assessed as acid-induced protein aggregation turbidity after 1.5 hrs by turbidimetric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "levothyroxine" 2646 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.1 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "levothyroxine" 2646 "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" "levothyroxine" 2646 "THAP domain-containing protein 1" "Unclassified" "Q9NVV9" "THAP1" "THAP1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "levothyroxine" 2646 "Macrophage migration inhibitory factor" "Unclassified" "P14174" "MIF" "MIF_HUMAN" 4.8 "IC50" "Inhibition of recombinant human MIF expressed in Escherichia coli BL21(DE3) using L-dopa as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "levothyroxine" 2646 "Malate dehydrogenase, mitochondrial" "Enzyme" "P40926" "MDH2" "MDHM_HUMAN" 4.36 "IC50" "Inhibition of MDH2 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tiagabine" 2648 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P30531" "SLC6A1" "SC6A1_HUMAN" 7.77 "Ki" "Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1027" "INHIBITOR" "Tclin" "Homo sapiens" "tiagabine" 2648 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P23978" "Slc6a1" "SC6A1_RAT" 7.17 "Ki" "In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "tiagabine" 2648 "Sodium- and chloride-dependent GABA transporter 1" "Transporter" "P31648" "Slc6a1" "SC6A1_MOUSE" 7.41 "Ki" "Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay" "CHEMBL" "=" "Mus musculus" "tiagabine" 2648 "Sodium- and chloride-dependent betaine transporter" "Transporter" "P31651" "Slc6a12" "S6A12_MOUSE" 6.74 "IC50" "Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis" "CHEMBL" "=" "Mus musculus" "tiamenidine" 2649 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.04 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 9.1*10e-9" "CHEMBL" "=" "Rattus norvegicus" "tiamenidine" 2649 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.31 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]-prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 4.85*10e-6" "CHEMBL" "=" "Rattus norvegicus" "tianeptine" 2650 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 6.417 "Ki" "PDSP" "Tclin" "Homo sapiens" "tiapride" 2651 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.077 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "tiapride" 2651 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.108 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tiapride" 2651 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.756 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "tiapride" 2651 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.854 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "tiaprofenic acid" 2652 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.1 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6782492" "INHIBITOR" "Tclin" "Homo sapiens" "tiaprofenic acid" 2652 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.9 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6782492" "INHIBITOR" "Tclin" "Homo sapiens" "tibolone" 2655 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.317 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tibolone" 2655 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.907 "Ki" "DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tibolone" 2655 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "tibolone" 2655 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "tibolone" 2655 "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" "tibolone" 2655 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "tibolone" 2655 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.123 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "tibolone" 2655 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.542 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "ticarcillin" 2656 "Penicillin-binding protein 1A" "Enzyme" "Q8XJ01" "pbpA" "PBPA_CLOPE" "WOMBAT-PK" "Clostridium perfringens (strain 13 / Type A)" "ticarcillin" 2656 "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/CHEMBL1449" "INHIBITOR" "Escherichia coli (strain K12)" "ticlopidine" 2657 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.33 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.28 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.845 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.747 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.857 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.767 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.201 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Cytochrome P450 2A6" "Enzyme" "P11509" "CYP2A6" "CP2A6_HUMAN" 6.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ticlopidine" 2657 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 4.13 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "ticlopidine" 2657 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1717" "ANTAGONIST" "Tclin" "Homo sapiens" "ticlopidine" 2657 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6.175 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ticlopidine" 2657 "Cytochrome P450 2B6" "Enzyme" "P20813" "CYP2B6" "CP2B6_HUMAN" 6.7 "IC50" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "ticlopidine" 2657 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.697 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "ticlopidine" 2657 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.31 "IC50" "CHEMBL" "=" "Rattus norvegicus" "tienilic acid" 2658 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.494 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "tilidine" 2663 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.1 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15627429" "AGONIST" "Tclin" "Homo sapiens" "tiliquinol" 2664 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.35 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "tiludronic acid" 2666 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "tiludronic acid" 2666 "V-type proton ATPase 116 kDa subunit a isoform 3" "Enzyme" "Q13488" "TCIRG1" "VPP3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "tiludronic acid" 2666 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.14 "IC50" "Inhibition of APMA-activated recombinant human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tiludronic acid" 2666 "Matrix metalloproteinase-14" "Enzyme" "P50281" "MMP14" "MMP14_HUMAN" 4.52 "IC50" "Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tiludronic acid" 2666 "Neutrophil collagenase" "Enzyme" "P22894" "MMP8" "MMP8_HUMAN" 4.49 "IC50" "Inhibition of MMP8 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tinoridine" 2672 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 4.987 "EC50" "CHO-K1 cells stably expressing the human A1AR" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/19751980" "ANTAGONIST" "Tclin" "Homo sapiens" "tiocarlide" 2673 "Epoxide hydrolase EphE; Hydrolase, alpha/beta hydrolase fold family" "Enzyme" "O69638" "O69638_MYCTO" 7.66 "IC50" "Inhibition of Mycobacterium tuberculosis recombinant EphE expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control" "CHEMBL" "=" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "tioconazole" 2675 "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/CHEMBL1200438" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "tioconazole" 2675 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.3 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "Tclin" "Homo sapiens" "tiopronin" 2676 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 5.72 "IC50" "Inhibition of the activity of rabbit lung Angiotensin I converting enzyme" "CHEMBL" "=" "Oryctolagus cuniculus" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 11.1 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1900528" "ANTAGONIST" "Tclin" "Homo sapiens" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 11 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 9.82 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heart" "CHEMBL" "=" "Rattus norvegicus" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 9.8 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membrane" "CHEMBL" "=" "Rattus norvegicus" "tiotropium bromide" 2677 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 9.52 "Ki" "Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular gland" "CHEMBL" "=" "Rattus norvegicus" "tiquizium" 2678 "Muscarinic acetylcholine receptor" "GPCR" "F1PT23" "CHRM1" "F1PT23_CANFA" 8.7 "Ki" "radioligand ([3H]QNB) displacement assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/8839659" "Canis familiaris" "tiquizium" 2678 "Muscarinic acetylcholine receptor" "GPCR" "F1PWR7" "CHRM2" "F1PWR7_CANFA" 8.94 "Ki" "radioligand ([3H]QNB) displacement assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/8839659" "Canis familiaris" "tiquizium" 2678 "Muscarinic acetylcholine receptor" "GPCR" "F1PGZ2" "CHRM3" "F1PGZ2_CANFA" 9.11 "Ki" "radioligand ([3H]QNB) displacement assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/8839659" "Canis familiaris" "tiracizine" 2679 "Nuclear receptor subfamily 1 group I member 3" "Nuclear hormone receptor" "Q14994" "NR1I3" "NR1I3_HUMAN" 5.39 "IC50" "Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tirofiban" 2680 "Integrin alpha-IIb/beta-3" "Adhesion" "P05106|P08514" "ITGB3|ITGA2B" "ITB3_HUMAN|ITA2B_HUMAN" 7.959 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/1469694" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020912s021,020913s018lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tizanidine" 2683 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.07 "EC50" "Agonist activity at human recombinant alpha-2A receptor expressed in PC12 cells assessed as inhibition of forskolin-stimulated intracellular cAMP accumulation measured after 10 mins by cAMP enzyme immunoassay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200329" "AGONIST" "Tclin" "Homo sapiens" "tizanidine" 2683 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200329" "AGONIST" "Tclin" "Homo sapiens" "tizanidine" 2683 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.91 "EC50" "Agonist activity at human recombinant alpha-2C receptor expressed in PC12 cells assessed as inhibition of forskolin-stimulated intracellular cAMP accumulation measured after 10 mins by cAMP enzyme immunoassay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200329" "AGONIST" "Tclin" "Homo sapiens" "tizanidine" 2683 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.55 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "tizanidine" 2683 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 6.58 "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" "tizanidine" 2683 "Alpha-1B adrenergic receptor" "GPCR" "G3HDX1" "" "G3HDX1_CRIGR" 6.49 "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" "tobramycin" 2684 "Macrolide 2'-phosphotransferase II; Macrolide 2'-phosphotransferase II protein MphB; Macrolide 2-phosphotransferase, mph(B)" "Enzyme" "O32553" "mphB" "O32553_ECOLX" 5.824 "Km" "WOMBAT-PK" "=" "Escherichia coli" "tocainide" 2686 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A" "SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN" "Mechanism of Action" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL387108" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "tofisopam" 2693 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 6.05 "IC50" "Inhibition of human PDE4D catalytic domain using [3H]-cAMP or [3H]-cGMP incubated for 30 mins by scintillation counting method" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofisopam" 2693 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 6.05 "IC50" "Inhibition of human PDE4D catalytic domain using [3H]-cAMP or [3H]-cGMP incubated for 30 mins by scintillation counting method" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolazamide" 2694 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.292 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "tolazamide" 2694 "Sulfonylurea receptor 1, Kir6.2" "Ion channel" "Q09428|Q14654" "ABCC8|KCNJ11" "ABCC8_HUMAN|KCJ11_HUMAN" "Mechanism of Action; CHEMBL2096972; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL817" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tolazoline" 2695 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.64 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1689" "ANTAGONIST" "Tclin" "Homo sapiens" "tolazoline" 2695 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1689" "ANTAGONIST" "Tclin" "Homo sapiens" "tolazoline" 2695 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.5 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1689" "ANTAGONIST" "Tclin" "Homo sapiens" "tolazoline" 2695 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.43 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1689" "ANTAGONIST" "Tclin" "Homo sapiens" "tolazoline" 2695 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.79 "Ki" "Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine from human TAAR1 receptor expressed in HEK293 cells after 90 mins by beta counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolazoline" 2695 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 6.74 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "tolazoline" 2695 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.68 "IC50" "Inhibition of specific [3H]-prazosin binding (0.2 nM) to rat brain membranes alpha1 adrenoceptor; 2.1*10e-6" "CHEMBL" "=" "Rattus norvegicus" "tolbutamide" 2696 "Solute carrier family 22 member 6" "Transporter" "O35956" "Slc22a6" "S22A6_RAT" 4.26 "Ki" "Inhibition of rat Oat1 expressed in Xenopus oocytes" "CHEMBL" "=" "Rattus norvegicus" "tolbutamide" 2696 "ATP-sensitive inward rectifier potassium channel 11" "Ion channel" "Q61743" "Kcnj11" "KCJ11_MOUSE" 4.5 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "tolbutamide" 2696 "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" "tolcapone" 2697 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 7.69 "Kd" "Binding affinity to transthyretin (unknown origin) by ITC method" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolcapone" 2697 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 8.66 "IC50" "Inhibition of Catechol O-methyltransferase activity in rat brain" "CHEMBL" "=" "Rattus norvegicus" "tolcapone" 2697 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 5.13 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "tolcapone" 2697 "Krueppel-like factor 10" "Nuclear other" "Q13118" "KLF10" "KLF10_HUMAN" 4.3 "IC50" "CHEMBL" "=" "Tbio" "Homo sapiens" "tolcapone" 2697 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.33 "IC50" "CHEMBL" "=" "Rattus norvegicus" "tolcapone" 2697 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 9.569 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/7703232" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1324" "INHIBITOR" "Tclin" "Homo sapiens" "tolfenamic acid" 2698 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.3 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tolfenamic acid" 2698 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.24 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tolfenamic acid" 2698 "Transthyretin" "Secreted" "P02766" "TTR" "TTHY_HUMAN" 4.4 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolfenamic acid" 2698 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.33 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tolfenamic acid" 2698 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 8.1 "Ki" "Inhibition of human AKR1C3 using S-(+)-1,2,3,4-tetrahydro-1-naphthol as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "tolmetin" 2699 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.84 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1020" "INHIBITOR" "Tclin" "Homo sapiens" "tolmetin" 2699 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.27 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1020" "INHIBITOR" "Tclin" "Homo sapiens" "tolmetin" 2699 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 5.62 "IC50" "Inhibition of Homo sapiens (human) aldose reductase" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolmetin" 2699 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 4.06 "Ki" "Inhibition of glyoxalase 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "tolmetin" 2699 "Interleukin-8" "Cytokine" "P10145" "CXCL8" "IL8_HUMAN" 7.05 "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" "tolmetin" 2699 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.667 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "tolonium" 2701 "Microtubule-associated protein tau" "Structural" "P10636" "MAPT" "TAU_HUMAN" 7.16 "Ki" "Inhibition of recombinant tau (unknown origin) aggregation" "CHEMBL" "=" "Tchem" "Homo sapiens" "tolonium" 2701 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 4.45 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "toloxatone" 2702 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.82 "Ki" "Inhibitory concentration for human Monoamine oxidase B" "CHEMBL" "=" "Tclin" "Homo sapiens" "toloxatone" 2702 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 6.42 "Ki" "Inhibitory concentration for rat Monoamine oxidase A" "CHEMBL" "=" "Rattus norvegicus" "toloxatone" 2702 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 6.42 "Ki" "Inhibition of bovine brain mitochondrial Monoamine oxidase A (MAO-A) compared to toloxatone" "CHEMBL" "=" "Bos taurus" "toloxatone" 2702 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 4.82 "Ki" "Inhibition of bovine brain mitochondrial Monoamine oxidase B (MAO-B) compared to toloxatone" "CHEMBL" "=" "Bos taurus" "toloxatone" 2702 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.82 "Ki" "Inhibition of MAO-A (unknown origin) by luciferase reporter gene assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1546145" "INHIBITOR" "Tclin" "Homo sapiens" "tolperisone" 2703 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.253 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tolperisone" 2703 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.341 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tolperisone" 2703 "SMR1-alpha3" "Unclassified" "P70634" "VCS-alpha3" "P70634_RAT" 5.685 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "tolperisone" 2703 "BetaB2-crystallin" "Unclassified" "P70635" "Crybb2" "P70635_RAT" 5.474 "IC50" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "tolrestat" 2704 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P14550" "AKR1A1" "AK1A1_HUMAN" 6.14 "IC50" "Inhibition of N-terminal 6His-tagged human aldehyde reductase expressed in Escherichia coli BL21(DE3) mediated D-glucuronate reduction" "CHEMBL" "=" "Tchem" "Homo sapiens" "tolrestat" 2704 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 6.27 "IC50" "Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values" "CHEMBL" "=" "Sus scrofa" "tolrestat" 2704 "Aldose reductase" "Enzyme" "P80276" "AKR1B1" "ALDR_PIG" 7.82 "IC50" "In vitro inhibitory activity against aldose reductase in porcine lens." "CHEMBL" "=" "Sus scrofa" "tolrestat" 2704 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 8.7 "IC50" "In vitro inhibition of Aldose reductase (AR) from rat lens (RL)" "CHEMBL" "=" "Rattus norvegicus" "tolrestat" 2704 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 7.48 "IC50" "In vitro inhibition of aldose reductase activity in a partially purified bovine lens preparation" "CHEMBL" "=" "Bos taurus" "tolrestat" 2704 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 5.92 "IC50" "Evaluated for inhibition of Aldehyde reductase 1" "CHEMBL" "=" "Rattus norvegicus" "tolrestat" 2704 "Aldo-keto reductase family 1 member C21" "Enzyme" "Q91WR5" "Akr1c21" "AK1CL_MOUSE" 4.66 "Ki" "Inhibition of mouse recombinant AKR1C21" "CHEMBL" "=" "Mus musculus" "tolrestat" 2704 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 7.3 "Ki" "Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction" "CHEMBL" "=" "Tchem" "Homo sapiens" "tolrestat" 2704 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 8.509 "IC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6422042" "INHIBITOR" "Tclin" "Homo sapiens" "tolterodine" 2705 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.77 "IC50" "Inhibitory concentration against potassium channel HERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolterodine" 2705 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.85 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M1 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolterodine" 2705 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 8.57 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M2 receptor expressed in CHO cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "ANTAGONIST" "Tclin" "Homo sapiens" "tolterodine" 2705 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.49 "Ki" "Binding affinity to human muscarinic M3 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1382" "ANTAGONIST" "Tclin" "Homo sapiens" "tolterodine" 2705 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.51 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolterodine" 2705 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.66 "Ki" "Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "tolterodine" 2705 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.16 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "Rattus norvegicus" "tolterodine" 2705 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.85 "Ki" "Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "tolterodine" 2705 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8.15 "Ki" "Affinity for rat Muscarinic acetylcholine receptor M3" "CHEMBL" "=" "Rattus norvegicus" "tolterodine" 2705 "Muscarinic acetylcholine receptor M5" "GPCR" "P08911" "Chrm5" "ACM5_RAT" 8.66 "Ki" "Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "tolterodine" 2705 "Muscarinic acetylcholine receptor M4" "GPCR" "P08485" "Chrm4" "ACM4_RAT" 8.51 "Ki" "Displacement of [3H]NMS from muscarinic receptor M4 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "topiramate" 2706 "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/CHEMBL220492" "BLOCKER" "Tclin" "Homo sapiens" "topiramate" 2706 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "BLOCKER" "Tclin" "Homo sapiens" "topiramate" 2706 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 8.3 "Ki" "Compound was evaluated for inhibition against human carbonic anhydrase II" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "INHIBITOR" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.6 "Ki" "Compound was evaluated for inhibition against human carbonic anhydrase I" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.31 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "INHIBITOR" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.24 "Ki" "Compound was evaluated for inhibition against human carbonic anhydrase IX" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 8.42 "Ki" "Ki value against human carbonic anhydrase XII (hCA XII)" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.6 "Kd" "Inhibition of human carbonic anhydrase 5A" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "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" "topiramate" 2706 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 9.06 "Ki" "Ki value against human carbonic anhydrase VII" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.76 "Ki" "Inhibition of Helicobacter pylori recombinant carbonic anhydrase by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "topiramate" 2706 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.35 "Ki" "Inhibition of full length human recombinant CA VI" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.84 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 7.33 "Ki" "Inhibition of murine CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "topiramate" 2706 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 7.27 "Ki" "Compound was evaluated for inhibition against bovine carbonic anhydrase IV" "CHEMBL" "=" "Bos taurus" "topiramate" 2706 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.01 "IC50" "Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-clamp technique" "CHEMBL" "=" "Rattus norvegicus" "topiramate" 2706 "Carbonic anhydrase 2" "Enzyme" "P27139" "Ca2" "CAH2_RAT" 5.85 "IC50" "Inhibition concentration against carbonic anhydrase II in rat determined in esterase assay" "CHEMBL" "=" "Rattus norvegicus" "topiramate" 2706 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.92 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "topiramate" 2706 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.63 "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)" "topiramate" 2706 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 7.33 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.11 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "topiramate" 2706 "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)" "topiramate" 2706 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 8 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "topiramate" 2706 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 5.52 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "topiramate" 2706 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 6.96 "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)" "topiramate" 2706 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.54 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "topiramate" 2706 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.44 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "topiramate" 2706 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.43 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "topiramate" 2706 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 7.42 "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" "topiramate" 2706 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 6.21 "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)" "topiramate" 2706 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.41 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "topiramate" 2706 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.32 "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)" "topiramate" 2706 "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/CHEMBL220492" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 7.6 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "topiramate" 2706 "Glutamate receptor ionotropic kainate" "Ion channel" "P39086|Q13002|Q13003|Q16099|Q16478" "GRIK1|GRIK2|GRIK3|GRIK4|GRIK5" "GRIK1_HUMAN|GRIK2_HUMAN|GRIK3_HUMAN|GRIK4_HUMAN|GRIK5_HUMAN" "Mechanism of Action; CHEMBL2109241; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "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" "Homo sapiens" "topiramate" 2706 "Glutamate receptor ionotropic AMPA" "Ion channel" "P42261|P42262|P42263|P48058" "GRIA1|GRIA2|GRIA3|GRIA4" "GRIA1_HUMAN|GRIA2_HUMAN|GRIA3_HUMAN|GRIA4_HUMAN" "Mechanism of Action; CHEMBL2096670; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL220492" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "topiramate" 2706 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.11 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "topiramate" 2706 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.18 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "topotecan" 2707 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.818 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "topotecan" 2707 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "topotecan" 2707 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "topotecan" 2707 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "topotecan" 2707 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "topotecan" 2707 "Multidrug resistance-associated protein 4" "Transporter" "O15439" "ABCC4" "MRP4_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "topotecan" 2707 "DNA topoisomerase I, mitochondrial" "Enzyme" "Q969P6" "TOP1MT" "TOP1M_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL84" "INHIBITOR" "Tclin" "Homo sapiens" "topotecan" 2707 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 7.58 "Kd" "Binding affinity to topoisomerase 1" "CHEMBL" "=" "Tclin" "Homo sapiens" "topotecan" 2707 "Hypoxia-inducible factor 1-alpha" "Transcription factor" "Q16665" "HIF1A" "HIF1A_HUMAN" 7.22 "IC50" "Inhibition of HIF1alpha in human U251 cells under hypoxic condition by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "topotecan" 2707 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.21 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "topotecan" 2707 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.89 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "topotecan" 2707 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.07 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "topotecan" 2707 "DNA topoisomerase I" "Enzyme" "Q04750" "Top1" "TOP1_MOUSE" 4.7 "IC50" "Average concentration to cause 50% inhibition of topo 1 using the cleavable complex assay" "CHEMBL" "=" "Mus musculus" "topotecan" 2707 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 5.67 "AC50" "Active" "CHEMBL" "=" "Human herpesvirus 8" "topotecan" 2707 "UDP-galactopyranose mutase" "Enzyme" "P9WIQ1" "glf" "GLF_MYCTU" 5.16 "AC50" "active" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "torsemide" 2708 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" 6.4 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1148" "INHIBITOR" "Tclin" "Homo sapiens" "toremifene" 2709 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.38 "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" "toremifene" 2709 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200675" "MODULATOR" "Tclin" "Homo sapiens" "toremifene" 2709 "Estrogen-related receptor gamma" "Nuclear hormone receptor" "P62508" "ESRRG" "ERR3_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "toremifene" 2709 "Envelope glycoprotein" "Unclassified" "Q05320" "GP" "VGP_EBOZM" 4.8 "Kd" "Binding affinity to Ebola virus Zaire Mayinga-76 recombinant GP protein by SYPRO orange dye-based fluorescence assay" "CHEMBL" "=" "Zaire ebolavirus" "tramadol" 2711 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.8 "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/CHEMBL1237044" "AGONIST" "Tclin" "Homo sapiens" "tramadol" 2711 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.83 "IC50" "Inhibition of SERT mediated 5-hydroxytryptamine uptake" "CHEMBL" "=" "Tclin" "Homo sapiens" "tramadol" 2711 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.1 "IC50" "Inhibition of reuptake of Norepinephrine" "CHEMBL" "=" "Tclin" "Homo sapiens" "tramadol" 2711 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 7.85 "Ki" "Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "tramadol" 2711 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.03 "Ki" "Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "tramadol" 2711 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.28 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tramadol" 2711 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 5.62 "Ki" "Displacement of [3H]-dihydromorphine from mu opioid receptor in rat cerebral cortex by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "trandolapril" 2712 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 8.12 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1519" "INHIBITOR" "Tclin" "Homo sapiens" "tranexamic acid" 2713 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.96 "Kd" "Binding affinity to human plasma full length Glu-plasminogen K1 domain by surface plasmon resonance analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL877" "INHIBITOR" "Tclin" "Homo sapiens" "tranilast" 2714 "Hematopoietic prostaglandin D synthase" "Enzyme" "O60760" "HPGDS" "HPGDS_HUMAN" 4.94 "IC50" "Inhibition of glutathione-S-transferase activity of prostaglandin D2 synthase" "CHEMBL" "=" "Tchem" "Homo sapiens" "tranylcypromine" 2715 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.229 "Ki" "PDSP" "Tclin" "Homo sapiens" "tranylcypromine" 2715 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.225 "Ki" "PDSP" "Tclin" "Homo sapiens" "tranylcypromine" 2715 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.292 "Ki" "PDSP" "Tclin" "Homo sapiens" "tranylcypromine" 2715 "Cytochrome P450 2A6" "Enzyme" "P11509" "CYP2A6" "CP2A6_HUMAN" 7.187 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "tranylcypromine" 2715 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.48 "IC50" "Compound was evaluated for inhibition of Microbial tyramine oxidase; irreversible" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1179" "INHIBITOR" "Tclin" "Homo sapiens" "tranylcypromine" 2715 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.62 "IC50" "Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline after 40 mins by LC-MS/MS analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "tranylcypromine" 2715 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.3 "IC50" "Fluorescent High Throughput P450 Assay: 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). 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. Concentration-response curves performed in duplicate for known i" "CHEMBL" "=" "Tchem" "Homo sapiens" "tranylcypromine" 2715 "Cytochrome P450 2B6" "Enzyme" "P20813" "CYP2B6" "CP2B6_HUMAN" 5.16 "IC50" "Fluorescent High Throughput P450 Assay: 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). 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. Concentration-response curves performed in duplicate for known i" "CHEMBL" "=" "Tbio" "Homo sapiens" "tranylcypromine" 2715 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 4.88 "Ki" "Binding affinity against bovine trypsin" "CHEMBL" "=" "Bos taurus" "tranylcypromine" 2715 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 4.23 "Ki" "Displacement of [3H]Spiperone from dopamine D2-like receptor in Sprague-Dawley rat caudate putamen after 90 mins" "CHEMBL" "=" "Rattus norvegicus" "tranylcypromine" 2715 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 7.11 "IC50" "Inhibition of rat MAO-B using benzylamine as substrate" "CHEMBL" "=" "Rattus norvegicus" "tranylcypromine" 2715 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 6.54 "IC50" "Inhibition of rat MAO-A using serotonin as substrate incubated for 1 hr" "CHEMBL" "=" "Rattus norvegicus" "tranylcypromine" 2715 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 4.89 "Ki" "CHEMBL" "=" "Rattus norvegicus" "tranylcypromine" 2715 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.6 "Ki" "Inhibition of human recombinant His-tagged full length LSD1 expressed in Escherichia coli BL21 (DE3) assessed as inactivation constant preincubated for 20 mins with substrate measured after 30 mins by AmplexRed based fluorescence quenching assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tranylcypromine" 2715 "Lysine-specific histone demethylase 1B" "Enzyme" "Q8NB78" "KDM1B" "KDM1B_HUMAN" 4.46 "IC50" "Inhibition of recombinant LSD2 (22 to 822 aa) (unknown origin) expressed in Escherichia coli BL21(DE) by fluorescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "tranylcypromine" 2715 "7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase" "Enzyme" "Q9UNU6" "CYP8B1" "CP8B1_HUMAN" 5.11 "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" "travoprost" 2716 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 5.456 "Ki" "inhibition of [3H]AL-5848 binding to prostaglandin EP3 receptor" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10454045" "Tclin" "Homo sapiens" "travoprost" 2716 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 7.284 "Ki" "inhibition of [3H]AL-5848 binding to prostaglandin FP receptor" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10454045" "https://pubmed.ncbi.nlm.nih.gov/10454045" "AGONIST" "Tclin" "Homo sapiens" "trazodone" 2717 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.428 "Ki" "PDSP" "Tclin" "Homo sapiens" "trazodone" 2717 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.456 "Ki" "PDSP" "Tclin" "Homo sapiens" "trazodone" 2717 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.58 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.033 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.54 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.8 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "INHIBITOR" "Tclin" "Homo sapiens" "trazodone" 2717 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.07 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.018 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.35 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "ANTAGONIST" "Tclin" "Homo sapiens" "trazodone" 2717 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.08 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL621" "ANTAGONIST" "Tclin" "Homo sapiens" "trazodone" 2717 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.749 "Ki" "PDSP" "Tclin" "Homo sapiens" "trazodone" 2717 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 9.551 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.75 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.896 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.21 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.483 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 6.975 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.81 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.13 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.153 "Ki" "PDSP" "Tchem" "Homo sapiens" "trazodone" 2717 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.328 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trazodone" 2717 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 7.215 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "trazodone" 2717 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 6.081 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Rattus norvegicus" "trazodone" 2717 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.083 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "trazodone" 2717 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.93 "IC50" "CHEMBL" "=" "Rattus norvegicus" "trazodone" 2717 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.65 "Ki" "CHEMBL" "=" "Rattus norvegicus" "trazodone" 2717 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.77 "IC50" "Compound was tested for the inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" "Rattus norvegicus" "trazodone" 2717 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 6.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "trazodone" 2717 "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" "treprostinil" 2720 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 6.7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "treprostinil" 2720 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "treprostinil" 2720 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 8.72 "EC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237119" "AGONIST" "Tclin" "Homo sapiens" "treprostinil" 2720 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "treprostinil" 2720 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 6.7 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "treprostinil" 2720 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 8.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "tretinoin" 2722 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.642 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tretinoin" 2722 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.525 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tretinoin" 2722 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "AGONIST" "Tclin" "Homo sapiens" "tretinoin" 2722 "11-cis retinol dehydrogenase" "Enzyme" "Q92781" "RDH5" "RDH1_HUMAN" 7 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "tretinoin" 2722 "Nuclear receptor ROR-alpha" "Nuclear hormone receptor" "P35398" "RORA" "RORA_HUMAN" 6.7 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "tretinoin" 2722 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 9.4 "Ki" "Binding affinity for retinoic acid receptor RAR alpha" "CHEMBL" "=" "Tclin" "Homo sapiens" "tretinoin" 2722 "Retinoic acid receptor RXR-beta" "Nuclear hormone receptor" "P28702" "RXRB" "RXRB_HUMAN" 9.3 "Ki" "Binding affinity for retinoic acid receptor RAR beta" "CHEMBL" "=" "Tclin" "Homo sapiens" "tretinoin" 2722 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" 8.85 "Ki" "Binding affinity for retinoic acid receptor RAR gamma" "CHEMBL" "=" "Tclin" "Homo sapiens" "tretinoin" 2722 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "AGONIST" "Tclin" "Homo sapiens" "tretinoin" 2722 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL38" "AGONIST" "Tclin" "Homo sapiens" "tretinoin" 2722 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 7.8 "Kd" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "tretinoin" 2722 "Nuclear receptor ROR-beta" "Nuclear hormone receptor" "Q92753" "RORB" "RORB_HUMAN" 9.82 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "tretinoin" 2722 "Nuclear receptor ROR-gamma" "Nuclear hormone receptor" "P51449" "RORC" "RORG_HUMAN" 6.7 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "tretinoin" 2722 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.24 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tretinoin" 2722 "Cellular retinoic acid-binding protein 1" "Cytosolic other" "P40220" "CRABP1" "RABP1_CHICK" 6.43 "IC50" "Tested for its ability to inhibit the binding of (all-E-)-RA to cytoplasmic retinoic acid-binding protein (CRABP) from chick skin" "CHEMBL" "=" "Gallus gallus" "tretinoin" 2722 "Retinoic acid receptor RXR-beta" "Transcription factor" "P28704" "Rxrb" "RXRB_MOUSE" 6.51 "Kd" "Inhibition of [3H]9-cis-RA binding to mouse Retinoid X receptor RXR beta" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Retinoic acid receptor RXR-gamma" "Transcription factor" "P28705" "Rxrg" "RXRG_MOUSE" 6.46 "Kd" "Dissociation constant for binding to Retinoid X receptor gamma" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Cellular retinoic acid-binding protein 1" "Cytosolic other" "P62965" "Crabp1" "RABP1_MOUSE" 9.4 "Kd" "Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 1" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Cellular retinoic acid-binding protein 2" "Cytosolic other" "P22935" "Crabp2" "RABP2_MOUSE" 8.7 "Kd" "Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding protein (CRABP) type 2" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Retinoic acid receptor alpha" "Transcription factor" "P11416" "Rara" "RARA_MOUSE" 7.82 "Kd" "Dissociation constant for binding to Retinoic acid receptor alpha" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Retinoic acid receptor RXR-alpha" "Transcription factor" "P28700" "Rxra" "RXRA_MOUSE" 6 "Kd" "Dissociation constant for binding to Retinoid X receptor alpha" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Retinoic acid receptor beta" "Transcription factor" "P22605" "Rarb" "RARB_MOUSE" 7.89 "Kd" "Dissociation constant for binding to Retinoic acid receptor beta" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Retinoic acid receptor gamma" "Transcription factor" "P18911" "Rarg" "RARG_MOUSE" 7.74 "Kd" "Dissociation constant for binding to Retinoic acid receptor gamma" "CHEMBL" "=" "Mus musculus" "tretinoin" 2722 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 4.54 "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" "tretinoin" 2722 "Nuclear receptor subfamily 2 group E member 1" "Nuclear hormone receptor" "Q9Y466" "NR2E1" "NR2E1_HUMAN" 5.74 "EC50" "Gal4-DBD TLX LBD screening to determine changes in TLX activity in HEK293 cells." "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "tretinoin" 2722 "Nuclear receptor subfamily 2 group C member 2" "Nuclear other" "P49116" "NR2C2" "NR2C2_HUMAN" 4.62 "EC50" "IUPHAR" "=" "AGONIST" "Homo sapiens" "tretinoin" 2722 "Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1" "Unclassified" "Q13526" "PIN1" "PIN1_HUMAN" 6.09 "IC50" "Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as substrate preincubated for 10 mins followed by substrate addition monitored for 90 secs by protease enzyme coupled based spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "tretinoin" 2722 "Nuclear receptor subfamily 2 group E member 1" "Nuclear other" "Q9Y466" "NR2E1" "NR2E1_HUMAN" 5.74 "EC50" "Gal4-DBD TLX LBD screening to determine changes in TLX activity in HEK293 cells." "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "tretoquinol" 2723 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 8.27 "Ki" "PDSP" "Tclin" "Homo sapiens" "tretoquinol" 2723 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.67 "Ki" "PDSP" "Tclin" "Homo sapiens" "tretoquinol" 2723 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 6.35 "IC50" "Inhibitory concentration against radioligand [3H]SQ-29,548 (5 nM) binding to TP receptors in human platelets" "CHEMBL" "=" "Tclin" "Homo sapiens" "tretoquinol" 2723 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 7.58 "EC50" "CHEMBL" "=" "Cavia porcellus" "tretoquinol" 2723 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 6.76 "EC50" "CHEMBL" "=" "Cavia porcellus" "tretoquinol" 2723 "Adrenergic receptor beta" "GPCR" "P07550|P08588|P13945" "ADRB2|ADRB1|ADRB3" "ADRB2_HUMAN|ADRB1_HUMAN|ADRB3_HUMAN" 7.51 "EC50" "Compound was tested for its intrinsic activity against beta adrenergic receptor of isolated guinea pig atrial pairs" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tretoquinol" 2723 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 5.3 "Ki" "Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes" "CHEMBL" "=" "Rattus norvegicus" "tretoquinol" 2723 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1b|Adra2b|Adra2c|Adra2a|Adra1d|Adra1a" "ADA1B_RAT|ADA2B_RAT|ADA2C_RAT|ADA2A_RAT|ADA1D_RAT|ADA1A_RAT" 5 "Ki" "Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "tretoquinol" 2723 "Adrenergic receptor beta" "GPCR" "P10608|P18090|P26255" "Adrb2|Adrb1|Adrb3" "ADRB2_RAT|ADRB1_RAT|ADRB3_RAT" 7 "Ki" "Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes" "CHEMBL" "=" "Rattus norvegicus" "triamcinolone" 2725 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.585 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1451" "AGONIST" "Tclin" "Homo sapiens" "triamcinolone" 2725 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "triamcinolone" 2725 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "triamcinolone acetonide" 2726 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1504" "AGONIST" "Tclin" "Homo sapiens" "triamcinolone acetonide" 2726 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "triamcinolone acetonide" 2726 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.638 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "triamcinolone diacetate" 2727 "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/CHEMBL1200449" "AGONIST" "Tclin" "Homo sapiens" "triamterene" 2728 "Solute carrier family 12 member 1" "Transporter" "Q13621" "SLC12A1" "S12A1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "triamterene" 2728 "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" "triamterene" 2728 "Caspase-1" "Enzyme" "P29466" "CASP1" "CASP1_HUMAN" 5.436 "IC50" "DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "triamterene" 2728 "Cathepsin G" "Enzyme" "P08311" "CTSG" "CATG_HUMAN" 5.13 "IC50" "DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "triamterene" 2728 "Pteridine reductase 1" "Enzyme" "Q01782" "PTR1" "PTR1_LEIMA" 5.47 "Ki" "Inhibition of Leishmania major recombinant PTR1" "CHEMBL" "=" "Leishmania major" "triamterene" 2728 "Amiloride-sensitive sodium channel, ENaC" "Ion channel" "P37088|P51168|P51170" "SCNN1A|SCNN1B|SCNN1G" "SCNNA_HUMAN|SCNNB_HUMAN|SCNNG_HUMAN" 5.3 "IC50" "Mechanism of Action; CHEMBL2107836; PROTEIN COMPLEX" "IUPHAR" "~" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL585" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.27 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "triazolam" 2729 "Platelet-activating factor receptor" "GPCR" "P25105" "PTAFR" "PTAFR_HUMAN" 5.879 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "triazolam" 2729 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 4.41 "IC50" "Displacement of [125I]CCK from Cholecystokinin receptor of rat pancreas" "CHEMBL" "=" "Rattus norvegicus" "triazolam" 2729 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 9.155 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 9.229 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" 8.845 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 9.02 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.638 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 9.097 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "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" 9.1 "Ki" "Binding affinity for Diazepam sensitive (DS) isoform of the benzodiazepine (Bz) binding site on GABAA receptors" "CHEMBL" "=" "Rattus norvegicus" "triazolam" 2729 "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" 9.1 "Ki" "Mechanism of Action; CHEMBL2093872; PROTEIN COMPLEX GROUP" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "triazolam" 2729 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" 8.876 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.108 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRB3|GABRA5|GABRG3" "GBRB3_HUMAN|GBRA5_HUMAN|GBRG3_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRG2|GABRA5|GABRB2" "GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN" 9.222 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "triazolam" 2729 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 8.699 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL646" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.04 "Ki" "Inhibition of human recombinant full length CA2 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Solute carrier family 12 member 3" "Transporter" "P55017" "SLC12A3" "S12A3_HUMAN" 7 "A2" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1054" "INHIBITOR" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "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" "trichlormethiazide" 2733 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.35 "Ki" "Inhibition of human recombinant full length CA4 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.06 "Ki" "Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.51 "Ki" "Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.12 "Ki" "Inhibition of human recombinant full length CA5A by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.87 "Ki" "Inhibition of human recombinant full length CA5B by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 8.1 "Ki" "Inhibition of human recombinant full length CA7 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.61 "Ki" "Inhibition of human recombinant full length CA6 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.46 "Ki" "Inhibition of human recombinant full length CA14 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trichlormethiazide" 2733 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 6.19 "Ki" "Inhibition of mouse recombinant full length CA13 by stopped-flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "triclabendazole" 2734 "Cruzipain" "Enzyme" "P25779" "CYSP_TRYCR" 4.82 "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" "triclofos" 2735 "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/CHEMBL1201317" "POSITIVE MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "tridihexethyl" 2737 "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/CHEMBL1201354" "ANTAGONIST" "Tclin" "Homo sapiens" "tridihexethyl" 2737 "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/CHEMBL1201354" "ANTAGONIST" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.19 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.46 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.41 "Ki" "Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 4.24 "Ki" "Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.42 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.31 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.35 "Ki" "Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.32 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 4.37 "Ki" "Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.92 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "trientine" 2738 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.28 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "trientine" 2738 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.23 "Ki" "Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method" "CHEMBL" "=" "Mus musculus" "trifluoperazine" 2740 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.841 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL422" "ANTAGONIST" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.185 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.82 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.292 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 8.1 "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" "trifluoperazine" 2740 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.19 "Ki" "Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "Tchem" "Homo sapiens" "trifluoperazine" 2740 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.022 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.849 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "trifluoperazine" 2740 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.536 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.62 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.786 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.251 "Ki" "PDSP" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.407 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "trifluoperazine" 2740 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.377 "Ki" "PDSP" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "trifluoperazine" 2740 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 6 "Kd" "Binding affinity to calmodulin" "CHEMBL" "=" "Tclin|Tclin|Tclin" "Homo sapiens" "trifluoperazine" 2740 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.64 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "Trypanosoma cruzi" "trifluoperazine" 2740 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.27 "Kd" "Compound was tested for its effect on dopamine saturation analysis" "CHEMBL" "=" "Rattus norvegicus" "trifluoperazine" 2740 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.39 "Ki" "Binding affinity towards 5-hydroxytryptamine 1A receptor by displacing [3H]WB-4101 from rat hippocampus" "CHEMBL" "=" "Rattus norvegicus" "trifluoperazine" 2740 "DNA-dependent protein kinase catalytic subunit" "Kinase" "P78527" "PRKDC" "PRKDC_HUMAN" 4 "IC50" "Inhibition of DNA-PK in human U1810 cells after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "trifluoperazine" 2740 "NS3" "Enzyme" "A3EZI9" "NS3" "A3EZI9_9HEPC" 6.15 "IC50" "Inhibitory concentration against hepatitis C virus helicase; range 0.6-0.7" "CHEMBL" "=" "Hepatitis C virus" "trifluoperazine" 2740 "Beta-glucuronidase" "Enzyme" "P06760" "Gusb" "BGLR_RAT" 5.11 "IC50" "Inhibitory effect of compound on the release of Beta-glucuronidase in rat neutrophils stimulated with fMLP/CB" "CHEMBL" "=" "Rattus norvegicus" "trifluoperazine" 2740 "Lysozyme C-1" "Enzyme" "P00697" "Lyz1" "LYSC1_RAT" 5.05 "IC50" "Inhibitory effect of compound on the release of lysozyme in rat neutrophils stimulated with fMLP/CB" "CHEMBL" "=" "Rattus norvegicus" "trifluoperazine" 2740 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 6.3 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "trifluoperazine" 2740 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.85 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "trifluoperazine" 2740 "Emopamil-binding protein-like" "Enzyme" "Q9BY08" "EBPL" "EBPL_HUMAN" 8.41 "Ki" "Binding affinity to emopamil binding protein (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "trifluoperazine" 2740 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.53 "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" "trifluoperazine" 2740 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.3 "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" "trifluoperazine" 2740 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.98 "Kd" "Compound was tested for its effect on 5-hydroxytryptamine 2 receptor saturation analysis" "CHEMBL" "=" "Rattus norvegicus" "trifluoperazine" 2740 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 5.47 "Kd" "Binding affinity to bovine brain CaM by FTPFACE analysis" "CHEMBL" "=" "Bos taurus" "trifluperidol" 2741 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.699 "Ki" "PDSP" "Tclin" "Homo sapiens" "trifluperidol" 2741 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 9.08 "Ki" "Affinity for sigma receptor type 1 of guinea pig using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "trifluperidol" 2741 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 6.78 "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" "trifluperidol" 2741 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.456 "Ki" "PDSP" "Tclin" "Homo sapiens" "trifluperidol" 2741 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.456 "Ki" "PDSP" "Tchem" "Homo sapiens" "trifluperidol" 2741 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 9.1 "Ki" "Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "trifluperidol" 2741 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 9.82 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "triflupromazine" 2742 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.553 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL570" "ANTAGONIST" "Tclin" "Homo sapiens" "triflupromazine" 2742 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.8 "Ki" "Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "Tchem" "Homo sapiens" "triflupromazine" 2742 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.398 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "triflupromazine" 2742 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 4.52 "Ki" "Inhibitory activity against recombinant Trypanosoma cruzi (Trypanosoma cruzi) Trypanothione reductase (linear competitive type)" "CHEMBL" "=" "Trypanosoma cruzi" "triflupromazine" 2742 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.13 "IC50" "Inhibition of Equine serum BChE using butyrylthiocholine iodide as a substrate after 20 mins by Ellman's assay" "CHEMBL" "=" "Equus caballus" "triflupromazine" 2742 "Pleiotropic ABC efflux transporter of multiple drugs" "Transporter" "P33302" "PDR5" "PDR5_YEAST" 5.31 "IC50" "Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "trifluridine" 2743 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 5.7 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "Cercopithecine herpesvirus 1" "trifluridine" 2743 "Thymidylate kinase" "Kinase" "P9WKE1" "tmk" "KTHY_MYCTU" 4.01 "Ki" "Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "trihexyphenidyl" 2745 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.347 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.89 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m1 by displacement of [3H]NMS binding using membranes in transfected chinese hamster ovarian cell" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1092" "ANTAGONIST" "Tclin" "Homo sapiens" "trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.73 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m2 by displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "Tclin" "Homo sapiens" "trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.58 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m3 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "Tclin" "Homo sapiens" "trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.17 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "Tclin" "Homo sapiens" "trihexyphenidyl" 2745 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.99 "IC50" "Evaluated for its binding affinity at human muscarinic receptor m5 by the displacement of [3H]NMS binding using membranes from transfected chinese hamster ovarian cell" "CHEMBL" "=" "Tclin" "Homo sapiens" "trihexyphenidyl" 2745 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.611 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trilostane" 2746 "3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 2" "Enzyme" "P26439" "HSD3B2" "3BHS2_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200907" "INHIBITOR" "Tclin" "Homo sapiens" "alimemazine" 2749 "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/CHEMBL829" "ANTAGONIST" "Tclin" "Homo sapiens" "alimemazine" 2749 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 5.9 "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" "trimetazidine" 2750 "Carnitine O-palmitoyltransferase 1, muscle isoform" "Enzyme" "Q63704" "Cpt1b" "CPT1B_RAT" 5.89 "IC50" "Inhibition of CPT1A in rat myocardium" "CHEMBL" "=" "Rattus norvegicus" "trimethadione" 2751 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL695" "BLOCKER" "Tclin" "Homo sapiens" "trimetaphan" 2752 "Neuronal acetylcholine receptor subunit alpha-10" "Ion channel" "Q9GZZ6" "CHRNA10" "ACH10_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "trimetaphan" 2752 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "trimetaphan" 2752 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.15 "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" "trimetaphan" 2752 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.56 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "Musca domestica" "trimetaphan" 2752 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNB4|CHRNA3" "ACHB4_HUMAN|ACHA3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201329" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8 "Ki" "Inhibition of recombinant Dihydrofolate reductase from humans." "CHEMBL" "=" "Tclin" "Homo sapiens" "trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 8.14 "IC50" "Inhibitory activity against recombinant Dihydrofolate reductase from Toxoplasma gondii (tgDHFR)" "CHEMBL" "=" "Toxoplasma gondii" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 6.82 "Ki" "Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii." "CHEMBL" "=" "Pneumocystis carinii" "trimethoprim" 2755 "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" "trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27713" "DRTS_PLABA" 6.92 "IC50" "In vitro inhibition of dihydrofolate reductase of Plasmodium berghei" "CHEMBL" "=" "Plasmodium berghei (strain Anka)" "trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P13922" "DRTS_PLAFK" 7.99 "Ki" "Inhibitory activity against wild-type dihydrofolate reductase (S108N DHFR)" "CHEMBL" "=" "Plasmodium falciparum" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 6.3 "Ki" "Competitive inhibition of mouse DHFR by enzyme kinetics assay in presence of variable DHFA level" "CHEMBL" "=" "Mus musculus" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 4.84 "Ki" "Inhibition of rat liver DHFR by enzyme kinetics assay in presence of variable DHFA level" "CHEMBL" "=" "Rattus norvegicus" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 5.57 "IC50" "Inhibition of dihydrofolate reductase from Toxoplasma gondii." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL22" "INHIBITOR" "Escherichia coli (strain K12)" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 6.88 "Ki" "Inhibitory activity against Lactobacillus casei dihydrofolate reductase" "CHEMBL" "=" "Lactobacillus casei" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P07807" "DFR1" "DYR_YEAST" 4.92 "IC50" "Inhibitory activity against Pneumocystis carinii dihydrofolate reductase." "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "P07382" "DRTS_LEIMA" 6.921 "Ki" "WOMBAT-PK" "=" "Leishmania major" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P22906" "DFR1" "DYR_CANAX" 8.66 "IC50" "Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Escherichia coli" "CHEMBL" "=" "Candida albicans" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "O30463" "folA" "O30463_MYCAV" 6.72 "IC50" "Inhibitory activity against DHFR (Dihydrofolate reductase) from Mycobacterium avium" "CHEMBL" "=" "Mycobacterium avium" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.89 "Ki" "Binding affinity for Escherichia coli Dihydrofolate reductase" "CHEMBL" "=" "Escherichia coli" "trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27793" "DRTS_TRYCR" 6 "Ki" "WOMBAT-PK" "=" "Trypanosoma cruzi" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P0A017" "folA" "DYR_STAAU" 8.92 "Ki" "Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH" "CHEMBL" "=" "Staphylococcus aureus" "trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27783" "DRTS_TRYBB" 8 "Ki" "WOMBAT-PK" "=" "Trypanosoma brucei brucei" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "P04174" "folA" "DYR_NEIGO" 6.35 "IC50" "Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea" "CHEMBL" "=" "Neisseria gonorrhoeae" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q59487" "folA" "DYR_LACLA" 6.35 "IC50" "In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae" "CHEMBL" "=" "Lactococcus lactis subsp. lactis (strain IL1403)" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q81R22" "dfrA" "Q81R22_BACAN" 4.62 "Ki" "Inhibition of wild type Bacillus anthracis recombinant DHFR" "CHEMBL" "=" "Bacillus anthracis" "trimethoprim" 2755 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27552" "DHFR-TS" "Q27552_CRYPV" 5.4 "IC50" "Inhibition of Cryptosporidium parvum recombinant DHFR using dihydrofolate as substrate incubated for 5 min prior to substrate addition by spectrophotometric assay" "CHEMBL" "=" "Cryptosporidium parvum" "trimethoprim" 2755 "Dihydrofolate reductase type 1" "Enzyme" "P00382" "dhfrI" "DYR1_ECOLX" 6.3 "IC50" "Inhibitory activity to dihydrofolate reductase in Escherichia coli" "CHEMBL" "=" "Escherichia coli" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q8Z9J9" "folA" "Q8Z9J9_SALTI" 8.08 "Ki" "CHEMBL" "=" "Salmonella typhi" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q54801" "dhfR" "DYR_STRPN" 4.38 "IC50" "Inhibition of trimethoprim-resistant Streptococcus pneumoniae DHFR I100L mutant" "CHEMBL" "=" "Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)" "trimethoprim" 2755 "Dihydrofolate reductase" "Enzyme" "Q9UUP5" "DHFR" "Q9UUP5_PNEJI" 7.04 "IC50" "Inhibition of Pneumocystis jirovecii recombinant DHFR expressed in Escherichia coli Rosetta Gami B (DE3) competent cells using DHFA as substrate and NADPH" "CHEMBL" "=" "Pneumocystis jirovecii" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 8.85 "Ki" "Inhibition of human recombinant Dihydrofolate reductase enzyme" "CHEMBL" "=" "Tclin" "Homo sapiens" "trimetrexate" 2757 "Folylpolyglutamate synthase, mitochondrial" "Enzyme" "Q05932" "FPGS" "FOLC_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "trimetrexate" 2757 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q07422" "DRTS_TOXGO" 8.29 "IC50" "Inhibitory activity against Toxoplasma gondii (tg) Dihydrofolate reductase (DHFR)" "CHEMBL" "=" "Toxoplasma gondii" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 9.15 "Ki" "Binding affinity was reported with purified recombinant Pneumocystis carinii Dihydrofolate reductase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL119" "INHIBITOR" "Pneumocystis carinii" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P00375" "Dhfr" "DYR_MOUSE" 10.22 "Ki" "Inhibitory constant for murine Wild-type dihydrofolate reductase (DHFR)" "CHEMBL" "=" "Mus musculus" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "Q920D2" "Dhfr" "DYR_RAT" 8.52 "IC50" "Inhibitory activity against Dihydrofolate reductase from rat liver" "CHEMBL" "=" "Rattus norvegicus" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P0ABQ4" "folA" "DYR_ECOLI" 8 "IC50" "Inhibition of dihydrofolate reductase in Toxoplasma gondii." "CHEMBL" "=" "Escherichia coli (strain K12)" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P00381" "folA" "DYR_LACCA" 7.57 "IC50" "Inhibitory activity against Dihydrofolate reductase from Lactobacillus casei" "CHEMBL" "=" "Lactobacillus casei" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P07807" "DFR1" "DYR_YEAST" 7.38 "IC50" "Inhibitory activity against Pneumocystis carinii dihydrofolate reductase." "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "P22906" "DFR1" "DYR_CANAX" 8.72 "Ki" "Inhibition of Dihydrofolate reductase enzyme from Candida albicans" "CHEMBL" "=" "Candida albicans" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "O30463" "folA" "O30463_MYCAV" 8.82 "IC50" "Inhibitory concentration against Mycobacterium avium dihydrofolate reductase" "CHEMBL" "=" "Mycobacterium avium" "trimetrexate" 2757 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.15 "IC50" "Inhibitory activity against Escherichia coli (ec) Dihydrofolate reductase" "CHEMBL" "=" "Escherichia coli" "trimetrexate" 2757 "Bifunctional dihydrofolate reductase-thymidylate synthase" "Enzyme" "Q27793" "DRTS_TRYCR" 8.18 "Ki" "Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay" "CHEMBL" "=" "Trypanosoma cruzi" "trimipramine" 2758 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.827 "Ki" "PDSP" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7317" "INHIBITOR" "Tclin" "Homo sapiens" "trimipramine" 2758 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.61 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL644" "INHIBITOR" "Tclin" "Homo sapiens" "trimipramine" 2758 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 8.854 "Ki" "PDSP" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "trimipramine" 2758 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.423 "Ki" "PDSP" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7317" "INHIBITOR" "Tclin" "Homo sapiens" "trimipramine" 2758 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.56 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "trioxsalen" 2759 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.133 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trioxsalen" 2759 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.909 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trioxsalen" 2759 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 6.08 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "triparanol" 2761 "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" "triparanol" 2761 "3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase" "Enzyme" "Q15125" "EBP" "EBP_HUMAN" 7.96 "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" "triparanol" 2761 "C-8 sterol isomerase" "Enzyme" "P32352" "ERG2" "ERG2_YEAST" 8.7 "Ki" "Affinity for ERG2 of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine radioligand" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "tripelennamine" 2762 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.4 "IC50" "Inhibitory activity against human Histamine H1 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL151676" "ANTAGONIST" "Tclin" "Homo sapiens" "triprolidine" 2763 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.9 "Ki" "GRAC: human H1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL855" "ANTAGONIST" "Tclin" "Homo sapiens" "triprolidine" 2763 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 9.9 "Kd" "Potency against histamine H1 receptor on guinea pig ileum" "CHEMBL" "=" "Cavia porcellus" "troglitazone" 2767 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 3.208 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "troglitazone" 2767 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.078 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "troglitazone" 2767 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.531 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "troglitazone" 2767 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.013 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "troglitazone" 2767 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.57 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "troglitazone" 2767 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.398 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "troglitazone" 2767 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.02 "Ki" "Uncompetitive inhibition of human MAOB expressed in Pichia pastoris" "CHEMBL" "=" "Tclin" "Homo sapiens" "troglitazone" 2767 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.98 "Ki" "Uncompetitive inhibition of human MAOA expressed in Pichia pastoris" "CHEMBL" "=" "Tclin" "Homo sapiens" "troglitazone" 2767 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "troglitazone" 2767 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 6.27 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408" "AGONIST" "Tclin" "Homo sapiens" "troglitazone" 2767 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.26 "IC50" "Inhibition of PTP1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "troglitazone" 2767 "Glycogen [starch] synthase, liver" "Enzyme" "P54840" "GYS2" "GYS2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "troglitazone" 2767 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.528 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "troglitazone" 2767 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 5.691 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "troglitazone" 2767 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 5.907 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "troglitazone" 2767 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 4.96 "Ki" "Uncompetitive inhibition of rat MAOB expressed in Pichia pastoris" "CHEMBL" "=" "Rattus norvegicus" "troglitazone" 2767 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 5.32 "Ki" "Uncompetitive inhibition of rat MAOA expressed in Pichia pastoris" "CHEMBL" "=" "Rattus norvegicus" "troglitazone" 2767 "Indoleamine 2,3-dioxygenase 2" "Enzyme" "Q8R0V5" "Ido2" "I23O2_MOUSE" 5.35 "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" "troglitazone" 2767 "UDP-glucuronosyltransferase 1-6" "Enzyme" "P19224" "UGT1A6" "UD16_HUMAN" 4.7 "Ki" "Inhibition of AZT glucuronidation by human recombinant UGT1A6" "CHEMBL" "=" "Tbio" "Homo sapiens" "troglitazone" 2767 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P28776" "Ido1" "I23O1_MOUSE" 4.21 "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" "troglitazone" 2767 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.97 "IC50" "CHEMBL" "=" "Rattus norvegicus" "troglitazone" 2767 "Polyunsaturated fatty acid lipoxygenase ALOX15" "Enzyme" "P39654" "Alox15" "LOX15_MOUSE" 4.7 "IC50" "Inhibition of 15-LOX-mediated lipid oxidation in 10% C57BL/6J mouse plasma" "CHEMBL" "=" "Mus musculus" "troleandomycin" 2769 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.8 "Ki" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tropicamide" 2774 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.167 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tropicamide" 2774 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.432 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tropicamide" 2774 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.523 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200604" "ANTAGONIST" "Tclin" "Homo sapiens" "tropicamide" 2774 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.46 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "tropicamide" 2774 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.194 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tropicamide" 2774 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tropicamide" 2774 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tropisetron" 2775 "5-hydroxytryptamine receptor 4" "GPCR" "O70528" "HTR4" "5HT4R_CAVPO" 6.9 "Ki" "Binding affinity towards 5-hydroxytryptamine 4 receptor in striatum membranes of guinea-pig brain was evaluated" "CHEMBL" "=" "Cavia porcellus" "tropisetron" 2775 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.587 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tropisetron" 2775 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.28 "Ki" "Inhibition constant against 5-hydroxytryptamine 1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "tropisetron" 2775 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.606 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tropisetron" 2775 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.8 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=260" "ANTAGONIST" "Tclin" "Homo sapiens" "tropisetron" 2775 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 4.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "tropisetron" 2775 "Glycine receptor subunit alpha-2" "Ion channel" "P23416" "GLRA2" "GLRA2_HUMAN" 4.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "tropisetron" 2775 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6.85 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 8.16 "Ki" "Inhibition constant against nicotinic acetylcholine receptor alpha7" "CHEMBL" "=" "Tchem" "Homo sapiens" "tropisetron" 2775 "Glycine receptor subunit beta" "Ion channel" "P48167" "GLRB" "GLRB_HUMAN" 5.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 8 "EC50" "Activation responses to that evoked by ACh at human Nicotinic acetylcholine receptor alpha-7 expressed in xenopus oocytes" "CHEMBL" "=" "Rattus norvegicus" "tropisetron" 2775 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 7.2 "Ki" "Displacement of [3H]GR-113808 from rat striatum 5-hydroxytryptamine 4 receptor" "CHEMBL" "=" "Rattus norvegicus" "tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P49582" "Chrna7" "ACHA7_MOUSE" 8.16 "Ki" "In vitro Binding affinity towards alpha-7 nAChR was determined" "CHEMBL" "=" "Mus musculus" "tropisetron" 2775 "5-hydroxytryptamine receptor 3A" "Ion channel" "O70212" "HTR3A" "5HT3A_CAVPO" 7.52 "Kd" "Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by competitive binding assay" "CHEMBL" "=" "Cavia porcellus" "tropisetron" 2775 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 8.89 "Ki" "Inhibitory activity against 5-hydroxytryptamine 3 receptor in rat cortical membranes using [3H]- 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide as a radioligand" "CHEMBL" "=" "Rattus norvegicus" "tropisetron" 2775 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 4.26 "Ki" "In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determined" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tropisetron" 2775 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 4.57 "Ki" "In vitro Binding affinity towards alpha-1-beta-1-gamma-delta nAChR was determined" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tropisetron" 2775 "Serotonin 3 receptor (5HT3)" "Ion channel" "P23979|Q9JHJ5" "Htr3a|Htr3b" "5HT3A_MOUSE|5HT3B_MOUSE" 8.42 "Ki" "The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 radioligand (in vitro)" "CHEMBL" "=" "Mus musculus" "tropisetron" 2775 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 8.8 "Ki" "GRAC: human 5-HT3B selective antagonist" "CHEMBL" "=" "Tchem" "Homo sapiens" "tropisetron" 2775 "Neuronal acetylcholine receptor subunit alpha-3" "Ion channel" "P32297" "CHRNA3" "ACHA3_HUMAN" 4.8 "Ki" "In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "tropisetron" 2775 "5-hydroxytryptamine receptor 4" "GPCR" "P97288" "Htr4" "5HT4R_MOUSE" 7.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "trospium" 2776 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "trospium" 2776 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "Mechanism of Action; CHEMBL211; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1888176" "ANTAGONIST" "Tclin" "Homo sapiens" "trospium" 2776 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1888176" "ANTAGONIST" "Tclin" "Homo sapiens" "trospium" 2776 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "trovafloxacin" 2777 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.306 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "trovafloxacin" 2777 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.395 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "trovafloxacin" 2777 "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/CHEMBL428" "INHIBITOR" "Escherichia coli (strain K12)" "trovafloxacin" 2777 "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/CHEMBL428" "INHIBITOR" "Escherichia coli (strain K12)" "tryptophan" 2780 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 4.4 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "tryptophan" 2780 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.65 "IC50" "Inhibition of MPO (unknown origin) using H2O2 as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "tryptophan" 2780 "Probable G-protein coupled receptor 139" "GPCR" "Q6DWJ6" "GPR139" "GP139_HUMAN" 4.59 "IC50" "Measured using a GTPγS assay in transfected COS7 cells." "IUPHAR" "=" "AGONIST" "Homo sapiens" "tryptophan" 2780 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.65 "IC50" "Inhibition of MPO (unknown origin) using H2O2 as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "tubocurarine" 2781 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.013 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tubocurarine" 2781 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.06 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "tubocurarine" 2781 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.51 "IC50" "GRAC: human AChR-alpha7 commonly used antagonist" "CHEMBL" "=" "Tchem" "Homo sapiens" "tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "Q9UGI6" "KCNN3" "KCNN3_HUMAN" 4.5 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 2" "Ion channel" "Q9H2S1" "KCNN2" "KCNN2_HUMAN" 5.7 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "tubocurarine" 2781 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 5.32 "Ki" "Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "P70605" "Kcnn3" "KCNN3_RAT" 5.04 "Ki" "Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "tubocurarine" 2781 "Zinc-activated ligand-gated ion channel" "Ion channel" "Q401N2" "ZACN" "ZACN_HUMAN" 5.2 "IC50" "GRAC: human ZAC selective agonist" "CHEMBL" "=" "Tchem" "Homo sapiens" "tubocurarine" 2781 "5-hydroxytryptamine receptor 3A" "Ion channel" "P23979" "Htr3a" "5HT3A_MOUSE" 7.1 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "tubocurarine" 2781 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.1 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tubocurarine" 2781 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.03 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tubocurarine" 2781 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.26 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tubocurarine" 2781 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.22 "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" "tubocurarine" 2781 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.73 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "Musca domestica" "tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 5.01 "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" "tubocurarine" 2781 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.62 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL339427" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P17787|Q15822" "CHRNB2|CHRNA2" "ACHB2_HUMAN|ACHA2_HUMAN" 7.38 "IC50" "WOMBAT-PK" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 5.579 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNB4|CHRNA3" "ACHB4_HUMAN|ACHA3_HUMAN" 5.7 "IC50" "Inhibitory activity against nicotinic acetylcholine receptor alpha3-beta4" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tubocurarine" 2781 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" 6.066 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tubocurarine" 2781 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.09 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tubocurarine" 2781 "Serotonin 3 receptor (5HT3)" "Ion channel" "O95264|P46098" "HTR3B|HTR3A" "5HT3B_HUMAN|5HT3A_HUMAN" 4.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 1" "Ion channel" "Q92952" "KCNN1" "KCNN1_HUMAN" 4.6 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "tubocurarine" 2781 "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" 4.24 "IC50" "Displacement of [3H]GABA from gamma-aminobutyric-acid A (GABA-A) receptor" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "tubocurarine" 2781 "Small conductance calcium-activated potassium channel protein 2" "Ion channel" "P70604" "Kcnn2" "KCNN2_RAT" 5.6 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "tulobuterol" 2782 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 6.89 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "tulobuterol" 2782 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15212190" "AGONIST" "Tclin" "Homo sapiens" "tyramine" 2784 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 4.59 "EC50" "Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tyramine" 2784 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 2.7 "Kd" "Binding affinity to BACE1 by surface plasmon resonance method" "CHEMBL" "=" "Tchem" "Homo sapiens" "tyramine" 2784 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 7.2 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "tyramine" 2784 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 7.1 "EC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "tyramine" 2784 "TyR1" "GPCR" "H9TVJ1" "H9TVJ1_9NEOP" 6.43 "EC50" "Agonist activity at Chilo suppressalis (rice stem borer) tyramine receptor TyR1 expressed in HEK293 cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 20 min" "CHEMBL" "=" "Chilo suppressalis" "tyramine" 2784 "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" 5.07 "Kd" "Affinity against 5-hydroxytryptamine receptors in rat fundus model" "CHEMBL" "=" "Rattus norvegicus" "tyramine" 2784 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 7.16 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21073468" "AGONIST" "Tclin" "Homo sapiens" "tyrosine" 2786 "Large neutral amino acids transporter small subunit 1" "Transporter" "Q01650" "SLC7A5" "LAT1_HUMAN" 4.17 "IC50" "Cis-inhibition of human LAT1 expressed in TREx HEK293 cells at 200 uM assessed as inhibition of [3H]-gabapentin uptake preincubated for 3 mins at 37 degC followed by washing with choline buffer and measured after 3 hrs by scintillation counting analysis relative to BCH" "CHEMBL" "=" "Tbio" "Homo sapiens" "ubenimex" 2787 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.47 "IC50" "Inhibition of MMP2 after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "ubenimex" 2787 "Aminopeptidase N" "Enzyme" "P15144" "ANPEP" "AMPN_HUMAN" 5.62 "IC50" "Inhibition of aminopeptidase N" "CHEMBL" "=" "Tchem" "Homo sapiens" "ubenimex" 2787 "Cytosol aminopeptidase" "Enzyme" "P28838" "LAP3" "AMPL_HUMAN" 9.22 "Ki" "Binding affinity for cytosolic leucine aminopeptidase (LAP) from porcine kidney" "CHEMBL" "=" "Tchem" "Homo sapiens" "ubenimex" 2787 "Leukotriene A-4 hydrolase" "Enzyme" "P09960" "LTA4H" "LKHA4_HUMAN" 6.3 "IC50" "Inhibition of aminopeptidase activity of human leukotriene A4 hydrolase by Dixon plot analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ubenimex" 2787 "Aminopeptidase N" "Enzyme" "P15145" "ANPEP" "AMPN_PIG" 9.3 "Ki" "Competitive inhibition of pig APN using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis" "CHEMBL" "=" "Sus scrofa" "ubenimex" 2787 "M1 family aminopeptidase" "Enzyme" "O96935" "AMP1_PLAFQ" 6.72 "Ki" "Inhibition of Plasmodium falciparum recombinant M1-aminopeptidase expressed in Escherichia coli after 40 mins uisng fluorogenic substrate L-Leucyl-7-amido-40-methylcoumarin by fluorescence spectrophotometry" "CHEMBL" "=" "Plasmodium falciparum (isolate FcB1 / Columbia)" "ubenimex" 2787 "Aminopeptidase B" "Enzyme" "Q8VCT3" "Rnpep" "AMPB_MOUSE" 5.22 "IC50" "Inhibition of Aminopeptidase B in murine L-cells by Aoyagi method." "CHEMBL" "=" "Mus musculus" "ubenimex" 2787 "Leucyl-cystinyl aminopeptidase" "Enzyme" "P97629" "Lnpep" "LCAP_RAT" 7.7 "Ki" "Inhibition of leucine aminopeptidase" "CHEMBL" "=" "Rattus norvegicus" "ubenimex" 2787 "Aminopeptidase B" "Enzyme" "O09175" "Rnpep" "AMPB_RAT" 7.85 "Ki" "Inhibition of aminopeptidase B or arginyl aminopeptidase purified from rat liver" "CHEMBL" "=" "Rattus norvegicus" "ubenimex" 2787 "Cytosol aminopeptidase" "Enzyme" "P00727" "LAP3" "AMPL_BOVIN" 6.3 "Ki" "Competitive inhibition of bovine LAPc using L-leucine-p-nitroanilide as substrate by Dixon-plot analysis" "CHEMBL" "=" "Bos taurus" "ubenimex" 2787 "Aminopeptidase N" "Enzyme" "P97449" "Anpep" "AMPN_MOUSE" 5.52 "Ki" "Inhibition of mouse APN" "CHEMBL" "=" "Mus musculus" "ubenimex" 2787 "Bacterial leucyl aminopeptidase" "Enzyme" "Q01693" "AMPX_VIBPR" 8.8 "Ki" "Inhibition of Aeromonas proteolytica leucyl aminopeptidase using L-leucine para-notroanilide as substrate assessed as release of para-nitroaniline by Dixon plot analysis" "CHEMBL" "=" "Vibrio proteolyticus" "ubenimex" 2787 "Cytosol aminopeptidase" "Enzyme" "P28839" "LAP3" "AMPL_PIG" 5.28 "IC50" "Inhibition of porcine kidney microsomal LAP using l-leucine-7-amido-4-methylcoumarin as substrate incubated for 60 mins measured every 3 mins by fluorescence assay" "CHEMBL" "=" "Sus scrofa" "ubenimex" 2787 "Aminopeptidase N" "Enzyme" "P15684" "Anpep" "AMPN_RAT" 4.71 "IC50" "Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M using [3H]Leu-enkephalin as substrate" "CHEMBL" "=" "Rattus norvegicus" "ubenimex" 2787 "Puromycin-sensitive aminopeptidase" "Enzyme" "P55786" "NPEPPS" "PSA_HUMAN" 5.46 "IC50" "Inhibition of recombinant human N-terminal His6-MBP-tagged PSA expressed in Escherichia coli BL21 STAR (DE3) using 4-Ala-MNA as substrate measured for 30 mins by thefluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ubenimex" 2787 "Cytosol aminopeptidase" "Enzyme" "P28839" "LAP3" "AMPL_PIG" 5.28 "IC50" "Inhibition of porcine kidney microsomal LAP using l-leucine-7-amido-4-methylcoumarin as substrate incubated for 60 mins measured every 3 mins by fluorescence assay" "CHEMBL" "=" "Sus scrofa" "ubenimex" 2787 "Endoplasmic reticulum aminopeptidase 1" "Enzyme" "Q9NZ08" "ERAP1" "ERAP1_HUMAN" 4.3 "IC50" "Inhibition of human ERAP1 expressed in African green monkey COS7 cells using aminoacyl-4-methylcoumaryl-7-amide as substrate after 15 mins by spectrofluorophotometric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "urapidil" 2796 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.456 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "urapidil" 2796 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.85 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01333" "ANTAGONIST" "Tclin" "Homo sapiens" "urapidil" 2796 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 7.9 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01333" "ANTAGONIST" "Tclin" "Homo sapiens" "urapidil" 2796 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.1 "Ki" "WOMBAT-PK" "=" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01333" "ANTAGONIST" "Tclin" "Homo sapiens" "ursodiol" 2797 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "ursodiol" 2797 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" "Mechanism of Action; CHEMBL2047; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1551" "AGONIST" "Tclin" "Homo sapiens" "ursodiol" 2797 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 5.62 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "ursodiol" 2797 "M1-family alanyl aminopeptidase" "Enzyme" "Q8IEK1" "Q8IEK1_PLAF7" 5.59 "IC50" "Active" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "ursodiol" 2797 "CDGSH iron-sulfur domain-containing protein 1" "Unclassified" "Q9NZ45" "CISD1" "CISD1_HUMAN" 5.95 "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" "valaciclovir" 2798 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1349" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "valdecoxib" 2799 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.3 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL865" "INHIBITOR" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.57 "IC50" "In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human whole blood assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.537 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.736 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.37 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.27 "Ki" "Inhibitory activity against human carbonic anhydrase I (hCA I) by using esterase assay method" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.87 "Ki" "Inhibitory activity against human carbonic anhydrase IV (hCAIV)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 7.57 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.89 "Ki" "Inhibitory activity against cloned human CA12" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.04 "Ki" "Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 7.06 "Ki" "Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.41 "Ki" "Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 4.11 "Ki" "Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.24 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.97 "Ki" "Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Cytochrome c oxidase subunit 2" "Enzyme" "P00403" "MT-CO2" "COX2_HUMAN" 5.96 "IC50" "Inhibition of human recombinant cyclooxygenase 2" "CHEMBL" "=" "Tchem" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 6.37 "Ki" "Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method" "CHEMBL" "=" "Mus musculus" "valdecoxib" 2799 "Carbonic anhydrase 4" "Enzyme" "Q95323" "CA4" "CAH4_BOVIN" 6.47 "Ki" "Inhibitory activity against bovine carbonic anhydrase IV (bCAIV)" "CHEMBL" "=" "Bos taurus" "valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "P40881" "CAH_METTE" 6.89 "Ki" "Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila" "CHEMBL" "=" "Methanosarcina thermophila" "valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "Q50565" "Q50565_METTH" 4.21 "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)" "valdecoxib" 2799 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 6.37 "Ki" "Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "valdecoxib" 2799 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 7.18 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "P53615" "NCE103" "CAN_YEAST" 6.18 "Ki" "Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.37 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "valdecoxib" 2799 "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)" "valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 7.01 "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)" "valdecoxib" 2799 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 7.54 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 5.24 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "valdecoxib" 2799 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.15 "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" "valdecoxib" 2799 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.29 "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" "valdecoxib" 2799 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.89 "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)" "valdecoxib" 2799 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.42 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "valdecoxib" 2799 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.17 "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)" "valdecoxib" 2799 "Cytochrome c oxidase subunit 1" "Enzyme" "O78749" "MT-CO1" "COX1_SHEEP" 4.02 "IC50" "Inhibition of ovine cyclooxygenase 1" "CHEMBL" "=" "Ovis aries" "valdecoxib" 2799 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.79 "Ki" "CHEMBL" "=" "Anopheles gambiae" "valdecoxib" 2799 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.28 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "valdecoxib" 2799 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 8.28 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "valethamate" 2800 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.7 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valethamate" 2800 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.56 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valethamate" 2800 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 7.72 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valethamate" 2800 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 8.25 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valethamate" 2800 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.44 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valethamate" 2800 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.62 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valethamate" 2800 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 6.6 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "valganciclovir" 2801 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL252321" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "valproic acid" 2803 "Succinate-semialdehyde dehydrogenase, mitochondrial" "Enzyme" "P51649" "ALDH5A1" "SSDH_HUMAN" "Mechanism of Action; CHEMBL1911; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL433" "INHIBITOR" "Tclin" "Homo sapiens" "valproic acid" 2803 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 4.21 "IC50" "Inhibition of human recombinant HDAC2" "CHEMBL" "=" "Tclin" "Homo sapiens" "valproic acid" 2803 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 6.4 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "valproic acid" 2803 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P14550" "AKR1A1" "AK1A1_HUMAN" 4.3 "IC50" "Inhibition of AK1A1" "CHEMBL" "=" "Tchem" "Homo sapiens" "valproic acid" 2803 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 4.05 "IC50" "Selectivity ratio measured as the IC50 ratio of aldehyde/aldose reductase values" "CHEMBL" "=" "Sus scrofa" "valproic acid" 2803 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.25 "IC50" "Inhibition of Fischer-344 rat kidney ALR1 using D,L-glyceraldehyde as substrate by spectrophotometry" "CHEMBL" "=" "Rattus norvegicus" "valproic acid" 2803 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 4.24 "IC50" "CHEMBL" "=" "Bos taurus" "valproic acid" 2803 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 4.3 "IC50" "Inhibition of rat kidney aldehyde reductase at 0.1 mM after 20 mins by spectrometric analysis" "CHEMBL" "=" "Rattus norvegicus" "valproic acid" 2803 "UDP-glucuronosyltransferase 1-5" "Enzyme" "P35504" "UGT1A5" "UD15_HUMAN" "WOMBAT-PK" "Tdark" "Homo sapiens" "valproic acid" 2803 "Aldose reductase-related protein 1" "Enzyme" "Q5RJP0" "Akr1b7" "ALD1_RAT" 4.25 "IC50" "CHEMBL" "=" "Rattus norvegicus" "valrubicin" 2805 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1096885" "INHIBITOR" "Tclin" "Homo sapiens" "valsartan" 2806 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 5.33 "Ki" "Inhibition constant against Angiotensin II receptor, type 1 was determined" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1069" "ANTAGONIST" "Tclin" "Homo sapiens" "valsartan" 2806 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.72 "IC50" "Binding affinity for rat angiotensin II receptor, type 1" "CHEMBL" "=" "Rattus norvegicus" "valsartan" 2806 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 8.47 "IC50" "Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane" "CHEMBL" "=" "Rattus norvegicus" "valsartan" 2806 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.57 "IC50" "Inhibitory activity against Angiotensin II receptor, type 1 in rat aortic membrane" "CHEMBL" "=" "Rattus norvegicus" "vancomycin" 2807 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.3 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "vancomycin" 2807 "D-alanyl-D-alanine dipeptidase" "Enzyme" "Q06241" "vanX" "VANX_ENTFC" 4.21 "Ki" "Inhibition of D,D-dipeptidase activity Van X in Enterococcus faecium ATCC 51559 using D-alanyl-(R)-phenylthioglycine substrate" "CHEMBL" "=" "Enterococcus faecium" "vancomycin" 2807 "UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase" "Enzyme" "P17443" "murG" "MURG_ECOLI" 5 "IC50" "CHEMBL" "=" "Escherichia coli (strain K12)" "varenicline" 2808 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 6.9 "Ki" "Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "varenicline" 2808 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 7.49 "Ki" "Displacement of [125I]iodoMLA from alpha-7 nAChR in rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 9.66 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "Rattus norvegicus" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 8.72 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "Rattus norvegicus" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 7.07 "Ki" "Displacement of [3H]epibatidine from rat alpha3beta4 nACHR" "CHEMBL" "=" "Rattus norvegicus" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 10.3 "Ki" "Displacement of [3H]epibatidine from rat alpha4beta2 nACHR" "CHEMBL" "=" "Rattus norvegicus" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 7.82 "Ki" "Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "Rattus norvegicus" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" 9.398 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2062259" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P30926|P32297" "CHRNB4|CHRNA3" "ACHB4_HUMAN|ACHA3_HUMAN" 7.066 "Ki" "WOMBAT-PK" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" 6.96 "Ki" "Binding affinity to alpha4beta4 nAChR" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "varenicline" 2808 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 5.09 "Ki" "Binding affinity to alpha-1-beta-gamma-delta nicotinic receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "varenicline" 2808 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P12389|P12392" "Chrna2|Chrnb4" "ACHA2_RAT|ACHB4_RAT" 7.15 "Ki" "Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells after 4 hrs" "CHEMBL" "=" "Rattus norvegicus" "varenicline" 2808 "Acetylcholine receptor" "Ion channel" "P02710|P02712|P02714|P02718" "CHRNA1|CHRNB1|CHRNG|chrnd" "ACHA_TORCA|ACHB_TORCA|ACHG_TORCA|ACHD_TORCA" 5.45 "Ki" "Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax" "CHEMBL" "=" "Torpedo californica" "vardenafil" 2809 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 9.155 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1339" "INHIBITOR" "Tclin" "Homo sapiens" "vardenafil" 2809 "Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha" "Enzyme" "P16499" "PDE6A" "PDE6A_HUMAN" 7.465 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "vardenafil" 2809 "Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A" "Enzyme" "Q9HCR9" "PDE11A" "PDE11_HUMAN" 6.89 "IC50" "Inhibition of human phosphodiesterase 11" "CHEMBL" "=" "Tchem" "Homo sapiens" "vardenafil" 2809 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A" "Enzyme" "P54750" "PDE1A" "PDE1A_HUMAN" 7.041 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "vardenafil" 2809 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 6.1 "IC50" "Inhibitory concentration against human phosphodiesterase 10" "CHEMBL" "=" "Tclin" "Homo sapiens" "vardenafil" 2809 "cGMP-dependent 3',5'-cyclic phosphodiesterase" "Enzyme" "O00408" "PDE2A" "PDE2A_HUMAN" 5.51 "IC50" "Inhibition of PDE2 (unknown origin) using FAM-cGMP and FAM-cAMP as substrate after 60 mins by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "vardenafil" 2809 "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A" "Enzyme" "O76083" "PDE9A" "PDE9A_HUMAN" 6.34 "IC50" "Inhibition of Phosphodiesterase 9" "CHEMBL" "=" "Tchem" "Homo sapiens" "vardenafil" 2809 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 5.68 "IC50" "Inhibition of human phosphodiesterase 3" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vardenafil" 2809 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 5.35 "IC50" "Inhibition of human phosphodiesterase 4" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vardenafil" 2809 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 6.74 "IC50" "Inhibition of Phosphodiesterase 1" "CHEMBL" "=" "Bos taurus" "vasopressin" 2810 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 9.59 "Ki" "Inhibition of human vasopressin V1a receptor expressed in CHO cells by polarisation binding assay using 96-well plate membranes" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2108986" "AGONIST" "Tclin" "Homo sapiens" "vasopressin" 2810 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 9.31 "Ki" "Displacement of [3H]-AVP from human vasopressin V1b receptor expressed in CHO cells after 30 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2108986" "AGONIST" "Tclin" "Homo sapiens" "vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 8.92 "Ki" "Displacement of [3H]AVP from human vasopressin V2 receptor expressed CHO cells after 60 mins" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2108986" "AGONIST" "Tclin" "Homo sapiens" "vasopressin" 2810 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 8.78 "Ki" "Displacement of [3H]-AVP from human oxytocin receptor expressed in CHO cells after 30 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "P32307" "AVPR2" "V2R_PIG" 8.48 "IC50" "Tested for the inhibition to V2 subtype receptor using [3H]- (VS2) as radioligand at 3 nM and arginine-vasopressin at 2 uM in LLCPKI cells" "CHEMBL" "=" "Sus scrofa" "vasopressin" 2810 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 8.93 "Ki" "Displacement of [3H]AVP from rat OT receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "Q00788" "Avpr2" "V2R_RAT" 9.35 "Ki" "Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes" "CHEMBL" "=" "Rattus norvegicus" "vasopressin" 2810 "Vasopressin V2 receptor" "GPCR" "P48044" "AVPR2" "V2R_BOVIN" 8.82 "Kd" "Inhibition of radioligand [3H]AVP binding to V2 receptor in bovine kidney inner medulla membrane" "CHEMBL" "=" "Bos taurus" "vasopressin" 2810 "Vasopressin V1a receptor" "GPCR" "P30560" "Avpr1a" "V1AR_RAT" 9.19 "Kd" "Binding potency against V1 receptor in rat liver cells" "CHEMBL" "=" "Rattus norvegicus" "vasopressin" 2810 "Vasopressin V1b receptor" "GPCR" "P48974" "Avpr1b" "V1BR_RAT" 9.54 "Ki" "Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells" "CHEMBL" "=" "Rattus norvegicus" "vasopressin" 2810 "Vasopressin V1 receptor" "GPCR" "P30560|P48974" "Avpr1a|Avpr1b" "V1AR_RAT|V1BR_RAT" 9.19 "Kd" "Compound was evaluated for its dissociation constant (Kd) to rat liver Vasopressin V1 receptor" "CHEMBL" "=" "Rattus norvegicus" "vecuronium" 2811 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.46 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "vecuronium" 2811 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.72 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "vecuronium" 2811 "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" "vecuronium" 2811 "Neuronal acetylcholine receptor; alpha2/beta4" "Ion channel" "P30926|Q15822" "CHRNB4|CHRNA2" "ACHB4_HUMAN|ACHA2_HUMAN" "WOMBAT-PK" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "vecuronium" 2811 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.824 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200629" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vecuronium" 2811 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P17787|P43681" "CHRNB2|CHRNA4" "ACHB2_HUMAN|ACHA4_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vecuronium" 2811 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P30926|P43681" "CHRNB4|CHRNA4" "ACHB4_HUMAN|ACHA4_HUMAN" "WOMBAT-PK" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vecuronium" 2811 "Acetylcholine receptor; alpha1/beta1/delta/gamma" "Ion channel" "P02708|P07510|P11230|Q07001" "CHRNA1|CHRNG|CHRNB1|CHRND" "ACHA_HUMAN|ACHG_HUMAN|ACHB_HUMAN|ACHD_HUMAN" 7.09 "IC50" "GRAC: human AChR-alpha1 commonly used antagonist" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "venlafaxine" 2813 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.051 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "INHIBITOR" "Tclin" "Homo sapiens" "venlafaxine" 2813 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.975 "Kd" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL637" "INHIBITOR" "Tclin" "Homo sapiens" "venlafaxine" 2813 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.652 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "venlafaxine" 2813 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.698 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "venlafaxine" 2813 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.554 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "venlafaxine" 2813 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.44 "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" "venlafaxine" 2813 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.05 "IC50" "Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "venlafaxine" 2813 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 7.6 "Ki" "Displacement of [3H]-citalopram from Sprague-Dawley rat brain SERT after 1 hr" "CHEMBL" "=" "Rattus norvegicus" "venlafaxine" 2813 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.44 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "venlafaxine" 2813 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.86 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "venlafaxine" 2813 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 6.19 "IC50" "Inhibition of norepinephrine uptake at rat brain norepinephrine transporter" "CHEMBL" "=" "Rattus norvegicus" "verapamil" 2815 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "verapamil" 2815 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.664 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 6.22 "Ki" "Inhibition of testosterone 6β-hydroxylation." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "verapamil" 2815 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.52 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "Tchem" "Homo sapiens" "verapamil" 2815 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.896 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.763 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.854 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.979 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.81 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.201 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.594 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 5.456 "IC50" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "verapamil" 2815 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.072 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 6 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL6966" "BLOCKER" "Tclin" "Homo sapiens" "verapamil" 2815 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 4.88 "Ki" "Inhibition of MRP1 in human 2008/MRP1 cells by Lineweaver-Burke plot analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "verapamil" 2815 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 4.43 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "verapamil" 2815 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "verapamil" 2815 "G protein-activated inward rectifier potassium channel 2" "Ion channel" "P48051" "KCNJ6" "KCNJ6_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "verapamil" 2815 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 4.485 "Ki" "WOMBAT-PK" "=" "BLOCKER" "Tclin" "Homo sapiens" "verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q13698" "CACNA1S" "CAC1S_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2406" "BLOCKER" "Tclin" "Homo sapiens" "verapamil" 2815 "Potassium voltage-gated channel subfamily A member 10" "Ion channel" "Q16322" "KCNA10" "KCA10_HUMAN" 4.3 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "verapamil" 2815 "Potassium voltage-gated channel subfamily A member 3" "Ion channel" "P22001" "KCNA3" "KCNA3_HUMAN" 5.1 "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" "verapamil" 2815 "Potassium voltage-gated channel subfamily C member 2" "Ion channel" "Q96PR1" "KCNC2" "KCNC2_HUMAN" 4.9 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.17 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "verapamil" 2815 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 4.348 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q96RP8" "KCNA7" "KCNA7_HUMAN" 4.8 "Kd" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "verapamil" 2815 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.027 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "verapamil" 2815 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 5.76 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "verapamil" 2815 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.68 "IC50" "CHEMBL" "=" "Rattus norvegicus" "verapamil" 2815 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.52 "IC50" "CHEMBL" "=" "Rattus norvegicus" "verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P15381" "CACNA1C" "CAC1C_RABIT" 6 "IC50" "Inhibition of [3H]nitrendipine binding to calcium channels in Rabbit cardiac muscle." "CHEMBL" "=" "Oryctolagus cuniculus" "verapamil" 2815 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 8.85 "IC50" "Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate." "CHEMBL" "=" "Rattus norvegicus" "verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 7.41 "IC50" "Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate." "CHEMBL" "=" "Rattus norvegicus" "verapamil" 2815 "Voltage-dependent L-type calcium channel subunit alpha-1S" "Ion channel" "Q02485" "Cacna1s" "CAC1S_RAT" 7.24 "Ki" "Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle" "CHEMBL" "=" "Rattus norvegicus" "verapamil" 2815 "Muscarinic acetylcholine receptor M2" "GPCR" "P06199" "CHRM2" "ACM2_PIG" 4.51 "EC50" "CHEMBL" "=" "Sus scrofa" "verapamil" 2815 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 4.071 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "verapamil" 2815 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.48 "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" "verapamil" 2815 "Voltage-gated L-type calcium channel" "Ion channel" "P22002|P27732|Q02485" "Cacna1c|Cacna1d|Cacna1s" "CAC1C_RAT|CAC1D_RAT|CAC1S_RAT" 8.43 "IC50" "Ability to inhibit [3H]nitrendipine binding to the calcium channel receptor(CCR) in rat cerebral cortex homogenate." "CHEMBL" "=" "Rattus norvegicus" "verapamil" 2815 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.73 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "verapamil" 2815 "Chloroquine resistance transporter" "Transporter" "Q9N623" "CRT" "CRT_PLAFA" 4.52 "IC50" "Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake measured from 1 to 2 hrs" "CHEMBL" "=" "Plasmodium falciparum" "verapamil" 2815 "Potassium voltage-gated channel subfamily C member 2" "Ion channel" "P22462" "Kcnc2" "KCNC2_RAT" 4.9 "EC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "verapamil" 2815 "Two pore calcium channel protein 1" "Ion channel" "Q9ULQ1" "TPCN1" "TPC1_HUMAN" 4.64 "IC50" "IUPHAR" "=" "BLOCKER" "Homo sapiens" "verapamil" 2815 "Two pore calcium channel protein 2" "Ion channel" "Q8NHX9" "TPCN2" "TPC2_HUMAN" 5 "IC50" "IUPHAR" "=" "BLOCKER" "Homo sapiens" "vesnarinone" 2817 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.96 "IC50" "Inhibition of human Potassium channel HERG expressed in mammalian cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "vesnarinone" 2817 "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" "Enzyme" "Q14432" "PDE3A" "PDE3A_HUMAN" 4.97 "IC50" "Inhibition of human PDE3A by fluorescence microplate reader" "CHEMBL" "=" "Tclin" "Homo sapiens" "vesnarinone" 2817 "cGMP-inhibited 3',5'-cyclic phosphodiesterase B" "Enzyme" "Q13370" "PDE3B" "PDE3B_HUMAN" 4.88 "IC50" "Inhibition of human PDE3B by fluorescence microplate reader" "CHEMBL" "=" "Tclin" "Homo sapiens" "vesnarinone" 2817 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 5.21 "IC50" "In vivo inhibition of cyclic AMP phosphodiesterase from human platelets" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vesnarinone" 2817 "Transitional endoplasmic reticulum ATPase" "Enzyme" "P55072" "VCP" "TERA_HUMAN" "Vesnarinone binds to the D1 domain of VCP" "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23393163" "Tchem" "Homo sapiens" "vidarabine" 2818 "DNA polymerase catalytic subunit" "Enzyme" "P04293" "DPOL_HHV11" "Mechanism of Action; CHEMBL1872; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1090" "INHIBITOR" "Human herpesvirus 1 (strain 17)" "vidarabine" 2818 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "vidarabine" 2818 "DNA polymerase alpha catalytic subunit" "Enzyme" "P09884" "POLA1" "DPOLA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "vidarabine" 2818 "Ribonucleoside-diphosphate reductase large subunit" "Enzyme" "P23921" "RRM1" "RIR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "vidarabine" 2818 "Ribonucleoside-diphosphate reductase subunit M2" "Enzyme" "P31350" "RRM2" "RIR2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "vidarabine" 2818 "Deoxyguanosine kinase, mitochondrial" "Kinase" "Q16854" "DGUOK" "DGUOK_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "vidarabine" 2818 "Ribose-phosphate pyrophosphokinase 1" "Kinase" "P60891" "PRPS1" "PRPS1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "vidarabine" 2818 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 7.21 "IC50" "Inhibition of human DPP4 from human Caco-2 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "vidarabine" 2818 "Adenylate cyclase type V" "Enzyme" "Q04400" "Adcy5" "ADCY5_RAT" 4.09 "IC50" "Compound was evaluated for inhibition of adenylate cyclase from rat brain" "CHEMBL" "=" "Rattus norvegicus" "vidarabine" 2818 "Adenosylhomocysteinase " "Enzyme" "P50247" "Ahcy" "SAHH_MOUSE" 4.52 "Ki" "Activity determined in mouse liver S-adenosyl-L-homocysteine hydrolase and expressed as KI values." "CHEMBL" "=" "Mus musculus" "vigabatrin" 2819 "4-aminobutyrate aminotransferase, mitochondrial" "Enzyme" "P80404" "ABAT" "GABT_HUMAN" "Mechanism of Action; CHEMBL2044; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL89598" "INHIBITOR" "Tclin" "Homo sapiens" "vigabatrin" 2819 "Gamma-amino-N-butyrate transaminase" "Enzyme" "P50554" "Abat" "GABT_RAT" 4.38 "IC50" "Inhibition of Rattus norvegicus (rat) brain gamma-amino butyrate aminotransferase using gamma-amino butyrate as substrate assessed as decrease in NADPH generation after 30 min by spectrophotometric analysis" "CHEMBL" "=" "Rattus norvegicus" "viloxazine" 2820 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.76 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT" "CHEMBL" "=" "Tclin" "Homo sapiens" "viloxazine" 2820 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.81 "Kd" "Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT" "CHEMBL" "=" "Tclin" "Homo sapiens" "viloxazine" 2820 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 4.78 "Ki" "Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "viloxazine" 2820 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 4.32 "Ki" "Inhibition of [3H]- DA reuptake into rat striatal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "viloxazine" 2820 "Transporter" "Transporter" "Q9WTR4" "Slc6a2" "Q9WTR4_RAT" 6.77 "Ki" "Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "viloxazine" 2820 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.7 "IC50" "Possible mechanism of action in ADHD" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2021/211964Orig1s000IntegratedR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/211964s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "vinblastine" 2823 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "Tchem" "Homo sapiens" "vinblastine" 2823 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "vinblastine" 2823 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "vinblastine" 2823 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "vinblastine" 2823 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.728 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "vinblastine" 2823 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.298 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "vinblastine" 2823 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 4.11 "Ki" "Inhibitory activity against Monoamine oxidase B isolated from beef liver mitochondria was determined" "CHEMBL" "=" "Bos taurus" "vinblastine" 2823 "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" 9 "IC50" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19010832" "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" "vinburnine" 2824 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.1 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vinburnine" 2824 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 4.2 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vinburnine" 2824 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.2 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vinburnine" 2824 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.6 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vincristine" 2825 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "vincristine" 2825 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "vincristine" 2825 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "vincristine" 2825 "Multidrug resistance-associated protein 7" "Transporter" "Q5T3U5" "ABCC10" "MRP7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "vincristine" 2825 "Tubulin" "Structural" "Q6B856|Q862F3|Q862L2" "TUBB2B" "TBB2B_BOVIN|Q862F3_BOVIN|Q862L2_BOVIN" 5.74 "IC50" "In vitro inhibition of tubulin polymerization measured as turbidity formed by centrifugation" "CHEMBL" "=" "Bos taurus" "vincristine" 2825 "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" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19010832" "https://pubmed.ncbi.nlm.nih.gov/19010832" "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" "vindesine" 2826 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.607 "Km" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "vinorelbine" 2827 "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" "vinorelbine" 2827 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.271 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "vinorelbine" 2827 "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" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19010832" "https://pubmed.ncbi.nlm.nih.gov/19010832" "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" "vinpocetine" 2828 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.41 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "vinpocetine" 2828 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A" "Enzyme" "P54750" "PDE1A" "PDE1A_HUMAN" 5.1 "IC50" "GRAC: human PDE1A selective inhibitor" "CHEMBL" "=" "Tclin" "Homo sapiens" "vinpocetine" 2828 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C" "Enzyme" "Q14123" "PDE1C" "PDE1C_HUMAN" 4.3 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "vinpocetine" 2828 "Phosphodiesterase 1" "Enzyme" "P14100|Q01061" "PDE1A|PDE1B" "PDE1A_BOVIN|PDE1B_BOVIN" 4.72 "IC50" "Evaluated for inhibitory activity against Phosphodiesterase 1 (PDE1) purified from bovine aorta" "CHEMBL" "=" "Bos taurus" "retinol" 2831 "11-cis retinol dehydrogenase" "Enzyme" "Q92781" "RDH5" "RDH1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Retinol dehydrogenase 12" "Enzyme" "Q96NR8" "RDH12" "RDH12_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Retinol dehydrogenase 13" "Enzyme" "Q8NBN7" "RDH13" "RDH13_HUMAN" "WOMBAT-PK" "Tdark" "Homo sapiens" "retinol" 2831 "Retinol-binding protein 3" "Surface antigen" "P10745" "RBP3" "RET3_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Retinol-binding protein 5" "Cytosolic other" "P82980" "RBP5" "RET5_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Retinoid-binding protein 7" "Cytosolic other" "Q96R05" "RBP7" "RET7_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Retinol-binding protein 4" "Secreted" "P02753" "RBP4" "RET4_HUMAN" 6.74 "Kd" "Binding affinity to His-tagged recombinant human sRBP expressed in Escherichia coli BL21(DE3) assessed as apparent dissociation constant after 5 mins by fluorescence spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "retinol" 2831 "Retinol-binding protein 2" "Cytosolic other" "P50120" "RBP2" "RET2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Retinal dehydrogenase 2" "Enzyme" "O94788" "ALDH1A2" "AL1A2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Retinal dehydrogenase 1" "Enzyme" "P00352" "ALDH1A1" "AL1A1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "retinol" 2831 "Retinaldehyde-binding protein 1" "Transporter" "P12271" "RLBP1" "RLBP1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Beta-lactoglobulin" "Unclassified" "P02754" "LGB" "LACB_BOVIN" 7.44 "Kd" "Binding affinity to bovine beta-lactoglobulins by fluorescence spectroscopy" "CHEMBL" "=" "Bos taurus" "retinol" 2831 "Retinol-binding protein 1" "Cytosolic other" "P09455" "RBP1" "RET1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "retinol" 2831 "Nuclear receptor subfamily 2 group C member 2" "Nuclear other" "P49116" "NR2C2" "NR2C2_HUMAN" 4.71 "EC50" "IUPHAR" "=" "AGONIST" "Homo sapiens" "thiamine" 2832 "Thiamine transporter 1" "Transporter" "O60779" "SLC19A2" "S19A2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "thiamine" 2832 "Transketolase" "Enzyme" "P29401" "TKT" "TKT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "thiamine" 2832 "Thiamin pyrophosphokinase 1" "Kinase" "Q9H3S4" "TPK1" "TPK1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "thiamine" 2832 "Thiamine-triphosphatase" "Enzyme" "Q9BU02" "THTPA" "THTPA_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "thiamine" 2832 "Transketolase-like protein 1" "Enzyme" "P51854" "TKTL1" "TKTL1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "thiamine" 2832 "Heat shock protein HSP 90-alpha" "Cytosolic other" "P07900" "HSP90AA1" "HS90A_HUMAN" 4.9 "IC50" "Inhibition of recombinant Homo sapiens (human) Hsp90 alpha ATPase activity assessed as inorganic phosphate release by malachite green colorimetric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "thiamine" 2832 "Thiamine transporter ThiT" "Transporter" "A2RI47" "thiT" "THIT_LACLM" 9.91 "Kd" "Binding affinity to wild-type Lactococcus lactis MG1363 N-terminal His8-tagged ThiT expressed in Lactococcus lactis NZ9000 incubated for 10 secs measured over 15 secs by fluorescence spectrophotometric method" "CHEMBL" "=" "Lactococcus lactis subsp. cremoris" "riboflavin" 2834 "Flavin reductase (NADPH)" "Enzyme" "P30043" "BLVRB" "BLVRB_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "riboflavin" 2834 "Riboflavin kinase" "Kinase" "Q969G6" "RFK" "RIFK_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "riboflavin" 2834 "Riboflavin-binding protein" "Unclassified" "P02752" "RBP_CHICK" 8.3 "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" "nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 3" "GPCR" "P49019" "HCAR3" "HCAR3_HUMAN" 6.52 "EC50" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "nicotinic acid" 2835 "Nicotinamide N-methyltransferase" "Enzyme" "P40261" "NNMT" "NNMT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "nicotinic acid" 2835 "Nicotinate-nucleotide pyrophosphorylase [carboxylating]" "Enzyme" "Q15274" "QPRT" "NADC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "nicotinic acid" 2835 "Nicotinamide phosphoribosyltransferase" "Enzyme" "P43490" "NAMPT" "NAMPT_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q80Z39" "Hcar2" "HCAR2_RAT" 7.48 "Ki" "Inhibition of [3H]-nicotinic acid (20 nM) binding to nicotinic acid receptor in rat spleen membrane." "CHEMBL" "=" "Rattus norvegicus" "nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q9EP66" "Hcar2" "HCAR2_MOUSE" 6.85 "IC50" "Displacement of [3H]niacin from mouse GPR109A" "CHEMBL" "=" "Mus musculus" "nicotinic acid" 2835 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 4.88 "IC50" "Inhibition of amyloid beta aggregation (unknown origin) after 4 hrs by thioflavin S assay in absence of Zn2+" "CHEMBL" "=" "Homo sapiens" "nicotinic acid" 2835 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 7.3 "Ki" "Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17705685" "AGONIST" "Tclin" "Homo sapiens" "pyridoxine" 2836 "Serine hydroxymethyltransferase, cytosolic" "Enzyme" "P34896" "SHMT1" "GLYC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "pyridoxine" 2836 "Pyridoxine-5'-phosphate oxidase" "Enzyme" "Q9NVS9" "PNPO" "PNPO_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "pyridoxine" 2836 "Pyridoxal phosphate phosphatase" "Enzyme" "Q96GD0" "PDXP" "PLPP_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "pyridoxine" 2836 "Pyridoxal kinase" "Kinase" "O00764" "PDXK" "PDXK_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "pyridoxine" 2836 "Cystathionine beta-synthase" "Enzyme" "P35520" "CBS" "CBS_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "pyridoxine" 2836 "Phosphoserine aminotransferase" "Enzyme" "Q9Y617" "PSAT1" "SERC_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "ergocalciferol" 2838 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O15528" "CYP27B1" "CP27B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "ergocalciferol" 2838 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1536" "AGONIST" "Tclin" "Homo sapiens" "ergocalciferol" 2838 "Vitamin D 25-hydroxylase" "Enzyme" "Q6VVX0" "CYP2R1" "CP2R1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "colecalciferol" 2840 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 6.4 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "colecalciferol" 2840 "25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial" "Enzyme" "O15528" "CYP27B1" "CP27B_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "colecalciferol" 2840 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 9.68 "EC50" "Agonist activity at human VDR expressed in HEK293 cells by luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1042" "AGONIST" "Tclin" "Homo sapiens" "colecalciferol" 2840 "Vitamin D 25-hydroxylase" "Enzyme" "Q6VVX0" "CYP2R1" "CP2R1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "colecalciferol" 2840 "Sterol 26-hydroxylase, mitochondrial" "Enzyme" "Q02318" "CYP27A1" "CP27A_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "dihydrotachysterol" 2841 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "voglibose" 2845 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 5.89 "IC50" "Inhibition of human small intestine microsomal maltase using maltose as substrate incubated for 30 mins by glucose-oxidase method" "CHEMBL" "=" "Tclin" "Homo sapiens" "voglibose" 2845 "Sucrase-isomaltase, intestinal" "Enzyme" "P23739" "Si" "SUIS_RAT" 7.15 "IC50" "Inhibition of rat intestinal brush border membrane sucrase" "CHEMBL" "=" "Rattus norvegicus" "voglibose" 2845 "Lysosomal alpha-glucosidase" "Enzyme" "Q6P7A9" "Gaa" "LYAG_RAT" 6.96 "IC50" "Inhibition of rat intestinal brush border membrane maltase" "CHEMBL" "=" "Rattus norvegicus" "voglibose" 2845 "Glycogen debranching enzyme" "Enzyme" "P35574" "AGL" "GDE_RABIT" 4.15 "IC50" "Inhibition of rabbit muscle amylo-1,6-glucosidase" "CHEMBL" "=" "Oryctolagus cuniculus" "voglibose" 2845 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 7.15 "IC50" "Inhibition of maltase in human Caco-2 cell model system after 2 hrs" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8536820" "INHIBITOR" "Tclin" "Homo sapiens" "voriconazole" 2846 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.89 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "voriconazole" 2846 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 8.73 "MIC" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL638" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "voriconazole" 2846 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.85 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "voriconazole" 2846 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 4.82 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "voriconazole" 2846 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 5.844 "MIC" "WOMBAT-PK" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "voriconazole" 2846 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 5.44 "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)" "voriconazole" 2846 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 6.37 "Kd" "Binding affinity to Aspergillus fumigatus AF293 sterol 14-alpha demethylase isoenzyme B expressed in Escherichia coli" "CHEMBL" "=" "Neosartorya fumigata" "voriconazole" 2846 "Cytochrome P450 11A1" "Enzyme" "P00189" "CYP11A1" "CP11A_BOVIN" 5.32 "Kd" "Binding affinity to bovine CYP11A1 by spectral binding study" "CHEMBL" "=" "Bos taurus" "voriconazole" 2846 "Cholesterol side-chain cleavage enzyme, mitochondrial" "Enzyme" "P00189" "CYP11A1" "CP11A_BOVIN" 5.32 "Kd" "Binding affinity to bovine CYP11A1 by spectral binding study" "CHEMBL" "=" "Bos taurus" "voriconazole" 2846 "Cholesterol 24-hydroxylase" "Enzyme" "Q9Y6A2" "CYP46A1" "CP46A_HUMAN" 7.96 "Ki" "Inhibition of full-length recombinant human CYP46A1 assessed as reduction in cholesterol 24-hydroxylation using cholesterol as substrate in presence of NADPH cytochrome P450 oxidoreductase by gas chromatography-mass spectrometry" "CHEMBL" "=" "Tbio" "Homo sapiens" "warfarin" 2847 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 3.98 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "warfarin" 2847 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 4.867 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "warfarin" 2847 "Vitamin K epoxide reductase complex subunit 1" "Enzyme" "Q9BQB6" "VKORC1" "VKOR1_HUMAN" 7 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1464" "INHIBITOR" "Tclin" "Homo sapiens" "warfarin" 2847 "Proprotein convertase subtilisin/kexin type 7" "Enzyme" "Q16549" "PCSK7" "PCSK7_HUMAN" 4.61 "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" "warfarin" 2847 "Vitamin K epoxide reductase complex subunit 1-like protein 1" "Enzyme" "Q8N0U8" "VKORC1L1" "VKORL_HUMAN" 4.284 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23928358" "Tbio" "Homo sapiens" "xamoterol" 2848 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.75 "Kd" "Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "xamoterol" 2848 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.18 "Kd" "Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "xamoterol" 2848 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 4.7 "Kd" "Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated for 15 mins prior to cimaterol induction measured after 5 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "ximelagatran" 2852 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 5.2 "Ki" "Inhibition of urokinase-type plasminogen activator (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "ximelagatran" 2852 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.74 "Ki" "Inhibition of human plasmin" "CHEMBL" "=" "Tclin" "Homo sapiens" "ximelagatran" 2852 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 5.43 "Ki" "Inhibition of human factor 10a" "CHEMBL" "=" "Tclin" "Homo sapiens" "ximelagatran" 2852 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" 5.82 "Ki" "Inhibition of human t-PA" "CHEMBL" "=" "Tclin" "Homo sapiens" "ximelagatran" 2852 "Coagulation factor VII" "Enzyme" "P08709" "F7" "FA7_HUMAN" 5.48 "IC50" "Inhibition of human coagulation factor 7a using spectrozyme as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis in presence of tissue factor" "CHEMBL" "=" "Tchem" "Homo sapiens" "ximelagatran" 2852 "Vitamin K-dependent protein C" "Enzyme" "P04070" "PROC" "PROC_HUMAN" 5.89 "IC50" "Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ximelagatran" 2852 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 7.95 "IC50" "CHEMBL" "=" "Bos taurus" "ximelagatran" 2852 "Coagulation factor XI" "Enzyme" "P03951" "F11" "FA11_HUMAN" 4.7 "IC50" "Inhibition of human coagulation factor 11a using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "ximelagatran" 2852 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 5.2 "Ki" "Inhibition of urokinase-type plasminogen activator (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "ximelagatran" 2852 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.432 "Ki" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10102460" "INHIBITOR" "Tclin" "Homo sapiens" "zafirlukast" 2855 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.873 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zafirlukast" 2855 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.114 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.646 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Cysteinyl leukotriene receptor 1" "GPCR" "Q9Y271" "CYSLTR1" "CLTR1_HUMAN" 9.5 "Ki" "GRAC: human CysLT1 selective antagonist" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL603" "ANTAGONIST" "Tclin" "Homo sapiens" "zafirlukast" 2855 "Cytosolic phospholipase A2" "Enzyme" "P47712" "PLA2G4A" "PA24A_HUMAN" 4.07 "IC50" "In vitro inhibition of cystolic phospholipase A2 alpha." "CHEMBL" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.24 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "zafirlukast" 2855 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.61 "EC50" "Partial agonist activity at human PPARgamma LBD expressed HEK293T cells after 12 to 14 hrs by dual-glo luciferase reporter gene assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zafirlukast" 2855 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.419 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.359 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.15 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.452 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Leukotriene B4 receptor 1" "GPCR" "Q15722" "LTB4R" "LT4R1_HUMAN" 5.147 "Ki" "PDSP" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 5.7 "IC50" "Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition and measured after 30 mins by spectrofluorimetry" "CHEMBL" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.269 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Cysteinyl leukotriene receptor 1" "GPCR" "Q2NNR5" "CYSLTR1" "CLTR1_CAVPO" 9.52 "Ki" "Displacement of [3H]LTD4 on guinea pig lung parenchymal membranes" "CHEMBL" "=" "Cavia porcellus" "zafirlukast" 2855 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.01 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.89 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.12 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.19 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 4.74 "IC50" "Inhibition of microsomal PGES1 in ILbeta/TNFalpha-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 min by LC-MS/MS analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "zafirlukast" 2855 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.19 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "zalcitabine" 2856 "Deoxycytidine kinase" "Kinase" "P27707" "DCK" "DCK_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "zalcitabine" 2856 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.29 "Ki" "Inhibitory constant against HIV-1 reverse transcriptase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL853" "INHIBITOR" "Human immunodeficiency virus 1" "zaleplon" 2857 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 5.789 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1521" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zaleplon" 2857 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 6.53 "EC50" "WOMBAT-PK" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11755161" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zanamivir" 2859 "Neuraminidase" "Enzyme" "P16207" "NRAM_INBVI" 8.4 "IC50" "WOMBAT-PK" "=" "Influenza B virus (strain B/Victoria/3/1985)" "zanamivir" 2859 "Neuraminidase" "Enzyme" "P03468" "NRAM_I34A1" 9.3 "IC50" "Inhibitory activity was determined against Neuraminidase A from influenza virus A/Tokyo/3/67" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "INHIBITOR" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "zanamivir" 2859 "Neuraminidase" "Enzyme" "P03474" "NRAM_INBLE" 10 "Ki" "Inhibition of influenza B/Memphis/3/89 neuraminidase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222813" "INHIBITOR" "Influenza B virus (strain B/Lee/1940)" "zanamivir" 2859 "Neuraminidase" "Enzyme" "B4URF0" "B4URF0_9INFA" 8.62 "IC50" "Inhibition of influenza A virus A/WSN/1933 H1N1 neuraminidase using NA-STAR substrate after 15 mins incubation at room temperature by fluorescent assay" "CHEMBL" "=" "Influenza A virus (A/WSN/1933(H1N1))" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q75VQ4" "NRAM_I68A0" 8.58 "IC50" "Inhibition of human influenza A virus A/Aichi/2/1968(H3N2) neuraminidase by fluorometric method using 4MU-NeuAc substrate" "CHEMBL" "=" "Influenza A virus (strain A/Aichi/2/1968 H3N2)" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q6Q793" "Q6Q793_9INFA" 9.3 "Ki" "Inhibition of Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1)) neuraminidase by by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/Thailand/1(KAN-1)/2004(H5N1))" "zanamivir" 2859 "Neuraminidase" "Enzyme" "A5Z252" "A5Z252_9INFA" 9 "Ki" "Inhibition of Influenza A virus (A/Turkey/651242/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/Turkey/651242/2006(H5N1))" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q2LFS1" "Q2LFS1_9INFA" 9.4 "Ki" "Inhibition of Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/chicken/Yogjakarta/BBVet-IX/2004(H5N1))" "zanamivir" 2859 "Neuraminidase" "Enzyme" "C4LRQ6" "C4LRQ6_9INFA" 9.3 "Ki" "Inhibition of Influenza A virus (A/duck/Laos/25/2006(H5N1)) neuraminidase by Michaelis-Menten equation analysis" "CHEMBL" "=" "Influenza A virus (A/duck/Laos/25/2006(H5N1))" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q20MD3" "Q20MD3_9INFA" 7.64 "IC50" "Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "Influenza A virus (A/udorn/1972(H3N2))" "zanamivir" 2859 "Neuraminidase" "Enzyme" "P03470" "NRAM_I33A0" 8.54 "IC50" "Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "Influenza A virus (strain A/Wilson-Smith/1933 H1N1)" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q194T1" "Q194T1_9INFA" 5.85 "IC50" "Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins" "CHEMBL" "=" "Influenza A virus (A/RI/5+/1957(H2N2))" "zanamivir" 2859 "Sialidase 3" "Enzyme" "Q9UQ49" "NEU3" "NEUR3_HUMAN" 5.17 "IC50" "Inhibition of human NEU3 expressed in HEK293 cells by fluorometric high-performance liquid chromatography using ganglioside GM3 substrate" "CHEMBL" "=" "Tbio" "Homo sapiens" "zanamivir" 2859 "Sialidase 2" "Enzyme" "Q9Y3R4" "NEU2" "NEUR2_HUMAN" 4.77 "Ki" "Inhibition of human neuraminidase 2" "CHEMBL" "=" "Tbio" "Homo sapiens" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q07599" "NRAM_I63A3" 8.13 "IC50" "Inhibition of Influenza A virus A/goose/Jiangsu/1306/2014(H5N8) neuraminidase N8 using fluorogenic MUNANA as substrate preincubated for 10 mins followed by substrate addition measured after 40 to 60 mins by fluorescence-based assay" "CHEMBL" "=" "Influenza A virus (strain A/Duck/Ukraine/1/1963 H3N8)" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q3S340" "Q3S340_9INFB" 8.05 "IC50" "Inhibition of Influenza B virus (B/Perth/211/2001) neuraminidase activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay" "CHEMBL" "=" "Influenza B virus (B/Perth/211/2001)" "zanamivir" 2859 "Sialidase-4" "Enzyme" "Q8WWR8" "NEU4" "NEUR4_HUMAN" 4.58 "Ki" "Inhibition of human N-terminal MBP-fused NEU4 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every minute for 30 mins by fluorescence based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zanamivir" 2859 "Neuraminidase" "Enzyme" "D5F1R0" "D5F1R0_9INFA" 8.47 "IC50" "Inhibition of Influenza A virus (A/Fukui/45/04(H3N2)) neuraminidase E119V mutant activity using 4-MUNANA as substrate preincubated for 60 mins followed by substrate addition measured every min for 60 mins by fluorescence assay" "CHEMBL" "=" "Influenza A virus" "zanamivir" 2859 "Neuraminidase" "Enzyme" "P03471" "NRAM_I71A1" 8.76 "IC50" "Inhibition of Influenza A virus A/Memphis/1/71(H3N2) sialidase preincubated for 15 mins followed by MUNA substrate addition measured after 15 mins by fluorescence assay" "CHEMBL" "=" "Influenza A virus" "zanamivir" 2859 "Neuraminidase" "Enzyme" "Q6XV28" "NRAM_I77AG" 7.64 "IC50" "Inhibition of Influenza A virus A/duck/Guangdong/674/2014(H5N6) neuraminidase N6 using fluorogenic MUNANA as substrate preincubated for 10 mins followed by substrate addition measured after 40 to 60 mins by fluorescence-based assay" "CHEMBL" "=" "Influenza A virus" "zidovudine" 2861 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zidovudine" 2861 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.51 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zidovudine" 2861 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 5.54 "Ki" "Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase." "CHEMBL" "=" "Tchem" "Homo sapiens" "zidovudine" 2861 "Thymidylate kinase" "Kinase" "P23919" "DTYMK" "KTHY_HUMAN" 4.55 "Ki" "WOMBAT-PK" "=" "Tbio" "Homo sapiens" "zidovudine" 2861 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 8.22 "IC50" "Inhibitory effect on HIV-1 RT activity using template primer,poly (rA)-oligo (dT)" "CHEMBL" "=" "Human immunodeficiency virus 1" "zidovudine" 2861 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 8.52 "IC50" "Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by triplicate assay at low (~0.1 pfu/cell) multiplicity of injection (moi)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL129" "INHIBITOR" "Human immunodeficiency virus 1" "zidovudine" 2861 "Gag-Pro-Pol polyprotein" "Polyprotein" "P03362" "gag-pro-pol" "POL_HTL1A" 8.31 "EC50" "WOMBAT-PK" "=" "Human T-cell leukemia virus 1 (strain Japan ATK-1 subtype A)" "zidovudine" 2861 "Reverse transcriptase/RNaseH" "Enzyme" "Q72549" "pol" "Q72549_9HIV1" 6.11 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus 1" "zidovudine" 2861 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4.74 "IC50" "CHEMBL" "=" "Human immunodeficiency virus 1" "zidovudine" 2861 "Thymidylate kinase" "Kinase" "P9WKE1" "tmk" "KTHY_MYCTU" 4.55 "Ki" "Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "zidovudine" 2861 "Thymidine kinase" "Kinase" "Q9PPP5" "tdk" "KITH_UREPA" 4.9 "IC50" "Inhibition of Ureaplasma parvum thymidine kinase by liquid scintillation counting" "CHEMBL" "=" "Ureaplasma parvum serovar 3 (strain ATCC 700970)" "zidovudine" 2861 "Reverse transcriptase protein" "Unclassified" "Q9WJQ2" "reverse transcriptase" "Q9WJQ2_9HIV1" 5.44 "IC50" "Inhibition of HIV1 reverse transcriptase M184V mutant-mediated viral DNA synthesis in human HOS cells assessed as luciferase activity treated 3 hrs before infection measured after 48 hrs by luminescence assay" "CHEMBL" "=" "Human immunodeficiency virus 1" "zileuton" 2862 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 6.52 "IC50" "Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL93" "INHIBITOR" "Tclin" "Homo sapiens" "zileuton" 2862 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 6.4 "IC50" "Inhibition of 15-LOX in human primary polymorphonuclear leukocytes" "CHEMBL" "=" "Tchem" "Homo sapiens" "zileuton" 2862 "Cysteinyl leukotriene receptor 2" "GPCR" "Q9NS75" "CYSLTR2" "CLTR2_HUMAN" 5.824 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "zileuton" 2862 "Leukotriene A-4 hydrolase" "Enzyme" "P09960" "LTA4H" "LKHA4_HUMAN" 6.071 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "zileuton" 2862 "Leukotriene B4 receptor 1" "GPCR" "Q15722" "LTB4R" "LT4R1_HUMAN" 6.38 "IC50" "In vitro activities of Leukotriene B4 receptor (LTB4) in human neutrophils" "CHEMBL" "=" "Tchem" "Homo sapiens" "zileuton" 2862 "Arachidonate 5-lipoxygenase-activating protein" "Cytosolic other" "P20292" "ALOX5AP" "AL5AP_HUMAN" 5.66 "IC50" "Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionophore A23187-induced LTB4 production preincubated for 15 mins by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "zileuton" 2862 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 6.23 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase expressed in Escherichia coli using 3-phenyl-cyano(6-methoxy-2-naphthalenyl)methylester-2-oxiraneacetic acid as substrate after 30 mins by fluorescence-based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zileuton" 2862 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 6.85 "IC50" "Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells" "CHEMBL" "=" "Rattus norvegicus" "zileuton" 2862 "Arachidonate 5-lipoxygenase" "Enzyme" "P48999" "Alox5" "LOX5_MOUSE" 6.72 "IC50" "CHEMBL" "=" "Mus musculus" "zileuton" 2862 "Prostaglandin E synthase" "Enzyme" "O14684" "PTGES" "PTGES_HUMAN" 6.22 "IC50" "Inhibition of mPGES-1 isolated from microsomes of interleukin-1 beta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 min by RP-HPLC analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "zimeldine" 2863 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 5.727 "Ki" "PDSP" "Tclin" "Homo sapiens" "zimeldine" 2863 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.818 "Ki" "PDSP" "Tclin" "Homo sapiens" "zimeldine" 2863 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.027 "Ki" "PDSP" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.59 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.301 "Ki" "PDSP" "Tclin" "Homo sapiens" "ziprasidone" 2865 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 8.02 "Ki" "Binding affinity against dopamine receptor D1" "CHEMBL" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.32 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "ANTAGONIST" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.92 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.357 "Ki" "PDSP" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.47 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.4 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL708" "ANTAGONIST" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.565 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.89 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.22 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.3 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.319 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.14 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ziprasidone" 2865 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.818 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "ziprasidone" 2865 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.33 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.456 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.55 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.523 "Ki" "PDSP" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.796 "Ki" "PDSP" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.796 "Ki" "PDSP" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 8.3 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.7 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.114 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "ziprasidone" 2865 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.3 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.4 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.046 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.536 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "ziprasidone" 2865 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.44 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ziprasidone" 2865 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 9.3 "Ki" "Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells" "CHEMBL" "=" "Rattus norvegicus" "ziprasidone" 2865 "Histamine H1 receptor" "GPCR" "P31389" "HRH1" "HRH1_CAVPO" 7.8 "Ki" "CHEMBL" "=" "Cavia porcellus" "ziprasidone" 2865 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 8.32 "Ki" "Displacement of [3H]NPA from rat brain Dopamine receptor D2" "CHEMBL" "=" "Rattus norvegicus" "ziprasidone" 2865 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.38 "Ki" "CHEMBL" "=" "Rattus norvegicus" "ziprasidone" 2865 "Histamine H1 receptor" "GPCR" "P31390" "Hrh1" "HRH1_RAT" 6.82 "IC50" "Displacement of [3H]mepyramine from H1R in rat brain" "CHEMBL" "=" "Rattus norvegicus" "ziprasidone" 2865 "Transporter" "Transporter" "Q63380" "NET" "Q63380_RAT" 7.32 "Ki" "Binding affinity to rat NET" "CHEMBL" "=" "Rattus norvegicus" "ziprasidone" 2865 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.96 "Ki" "Displacement of [3H]prazosin from Alpha-1 adrenergic receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "ziprasidone" 2865 "Histone H1.0" "Nuclear other" "P07305" "H1F0" "H10_HUMAN" 7.82 "Ki" "Binding Assay: Binding assay using 5-HT2A, Dopamine D2, SERT, αA1, 5-HT2C and H1 Receptors." "CHEMBL" "=" "Homo sapiens" "zofenopril" 2866 "Angiotensin-converting enzyme" "Enzyme" "P12822" "ACE" "ACE_RABIT" 9.4 "Ki" "CHEMBL" "=" "Oryctolagus cuniculus" "zofenopril" 2866 "Angiotensin-converting enzyme" "Enzyme" "P47820" "Ace" "ACE_RAT" 8.1 "IC50" "CHEMBL" "=" "Rattus norvegicus" "zofenopril" 2866 "Angiotensin-converting enzyme" "Enzyme" "P12821" "ACE" "ACE_HUMAN" 9.4 "IC50" "Inhibitory activity against angiotensin I converting enzyme (ACE)" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2484083" "INHIBITOR" "Tclin" "Homo sapiens" "zoledronic acid" 2868 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.21 "IC50" "Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "zoledronic acid" 2868 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.27 "IC50" "Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "zoledronic acid" 2868 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 6.5 "IC50" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "zoledronic acid" 2868 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 10.15 "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/CHEMBL924" "INHIBITOR" "Tclin" "Homo sapiens" "zoledronic acid" 2868 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.15 "IC50" "Inhibition of APMA-activated recombinant human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zoledronic acid" 2868 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 7.04 "IC50" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "zoledronic acid" 2868 "Matrix metalloproteinase-14" "Enzyme" "P50281" "MMP14" "MMP14_HUMAN" 4.9 "IC50" "Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zoledronic acid" 2868 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 4.28 "IC50" "Inhibition of MMP9 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "zoledronic acid" 2868 "Neutrophil collagenase" "Enzyme" "P22894" "MMP8" "MMP8_HUMAN" 4.75 "IC50" "Inhibition of MMP8 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zoledronic acid" 2868 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "O95749" "GGPS1" "GGPPS_HUMAN" 5.57 "Ki" "Binding affinity to human GGPPS" "CHEMBL" "=" "Tchem" "Homo sapiens" "zoledronic acid" 2868 "Farnesyl diphosphate synthase" "Enzyme" "P22939" "ispA" "ISPA_ECOLI" 5.96 "IC50" "Inhibition of Escherichia coli FPPS" "CHEMBL" "=" "Escherichia coli (strain K12)" "zoledronic acid" 2868 "Farnesyl pyrophosphate synthase" "Enzyme" "Q0GKD7" "Q0GKD7_LEIDO" 7.96 "Ki" "Binding affinity towards Farnesyl diphosphate synthase from leishmania major" "CHEMBL" "=" "Leishmania donovani" "zoledronic acid" 2868 "Geranylgeranyl pyrophosphate synthase" "Enzyme" "Q12051" "BTS1" "GGPPS_YEAST" 6.59 "Ki" "Binding affinity to Saccharomyces cerevisiae GGPPS" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "zoledronic acid" 2868 "Farnesyl pyrophosphate synthase" "Enzyme" "P05369" "Fdps" "FPPS_RAT" 6.3 "IC50" "in vitro using kidney cell lines" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "zoledronic acid" 2868 "Butyrophilin subfamily 3 member A1" "Unclassified" "O00481" "BTN3A1" "BT3A1_HUMAN" 6.31 "EC50" "Binding affinity to butyrophilin 3A1 in human Vgamma9/Vdelta2 T-cells assessed as activation of Vgamma9/Vdelta2 T-cells by upregulation of CD69 and CD25 after 18 hrs" "CHEMBL" "=" "Tbio" "Homo sapiens" "zolmitriptan" 2869 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.6 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zolmitriptan" 2869 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1185" "AGONIST" "Tclin" "Homo sapiens" "zolmitriptan" 2869 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.9 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1185" "AGONIST" "Tclin" "Homo sapiens" "zolmitriptan" 2869 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7.45 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zolmitriptan" 2869 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 7.7 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "zolmitriptan" 2869 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 10.4 "Kd" "Binding affinity against Dopamine receptor D2 in rat striatum using [3H]-spiperone as radioligand" "CHEMBL" "=" "Rattus norvegicus" "zolmitriptan" 2869 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 9.52 "Kd" "Binding affinity against dopamine receptor D1 in rat striatum using [3H]SCH-23390 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "zolmitriptan" 2869 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.15 "Kd" "Binding affinity against Alpha-2 adrenergic receptor in rat cortex using [3H]-idazoxan as radioligand" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P14867" "GABRA1" "GBRA1_HUMAN" 7.68 "Ki" "Assay using recombinant GABAA channels with subunit composition; α1β3γ2." "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4348" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P47869" "GABRA2" "GBRA2_HUMAN" 6.39 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-2-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-3" "Ion channel" "P34903" "GABRA3" "GBRA3_HUMAN" 6.01 "Ki" "Displacement of [3H]Ro-151788 from benzodiazepine binding site of GABAA alpha-3-beta-2-gamma-2 receptor expressed in HEK293T cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "zolpidem" 2870 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 3.703 "Km" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "zolpidem" 2870 "Translocator protein" "Membrane receptor" "P16257" "Tspo" "TSPO_RAT" 5.33 "IC50" "Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-1" "Ion channel" "P62813" "Gabra1" "GBRA1_RAT" 7.3 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-1-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-2" "Ion channel" "P23576" "Gabra2" "GBRA2_RAT" 6.12 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-2-beta-2-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "Gamma-aminobutyric acid receptor subunit alpha-5" "Ion channel" "P19969" "Gabra5" "GBRA5_RAT" 7.46 "Ki" "Displacement of [3H]flumazenil from rat GABA-A alpha-5-beta-3-gamma-2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 6.703 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zolpidem" 2870 "GABA-A receptor alpha-2/beta-3/gamma-2" "Ion channel" "P18507|P28472|P47869" "GABRG2|GABRB3|GABRA2" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA2_HUMAN" 6.807 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zolpidem" 2870 "GABA-A receptor alpha-3/beta-3/gamma-2" "Ion channel" "P18507|P28472|P34903" "GABRG2|GABRB3|GABRA3" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA3_HUMAN" 6.417 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zolpidem" 2870 "GABA-A receptor alpha-1/beta-3/gamma-2" "Ion channel" "P14867|P18507|P28472" "GABRA1|GABRG2|GABRB3" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB3_HUMAN" 7.574 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zolpidem" 2870 "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" 7.6 "Ki" "Displacement of [3H]- flunitrazepam from rat GABA-A benzodiazepine receptor" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18508|P20236|P63138" "Gabrg2|Gabra3|Gabrb2" "GBRG2_RAT|GBRA3_RAT|GBRB2_RAT" 6.42 "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" "zolpidem" 2870 "GABA A receptor alpha-6/beta-2/gamma-2" "Ion channel" "P18508|P30191|P63138" "Gabrg2|Gabra6|Gabrb2" "GBRG2_RAT|GBRA6_RAT|GBRB2_RAT" 6.01 "Ki" "Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gamma2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "GABA-A receptor; alpha-1/beta-2/gamma-2" "Ion channel" "P18508|P62813|P63138" "Gabrg2|Gabra1|Gabrb2" "GBRG2_RAT|GBRA1_RAT|GBRB2_RAT" 7.72 "Ki" "Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18508|P23576|P63138" "Gabrg2|Gabra2|Gabrb2" "GBRG2_RAT|GBRA2_RAT|GBRB2_RAT" 6.81 "Ki" "Binding affinity for recombinant rat GABA-A receptor alpha-2-beta-2-gamma-2 subunits expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "zolpidem" 2870 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" 6.164 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL911" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zolpidem" 2870 "CAAX prenyl protease 2" "Enzyme" "Q03530" "RCE1" "RCE1_YEAST" 4.77 "AC50" "Active" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "zomepirac" 2871 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.018 "Ki" "PDSP" "Tclin" "Homo sapiens" "zomepirac" 2871 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.367 "Ki" "PDSP" "Tclin" "Homo sapiens" "zomepirac" 2871 "Cyclooxygenase" "Enzyme" "O62664|O62698" "PTGS1|PTGS2" "PGH1_BOVIN|PGH2_BOVIN" 4.82 "IC50" "Inhibition of prostaglandin G/H synthase obtained from bovine seminal vesicles." "CHEMBL" "=" "Bos taurus" "zonisamide" 2872 "Sodium channel protein type 1 subunit alpha" "Ion channel" "P35498" "SCN1A" "SCN1A_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL750" "BLOCKER" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.99 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Voltage-dependent T-type calcium channel subunit alpha-1G" "Ion channel" "O43497" "CACNA1G" "CAC1G_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 7.252 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.07 "Ki" "Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.51 "Ki" "Competitive inhibition of human MAO B by spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 8.301 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 4.96 "Ki" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 7.7 "Ki" "Inhibition of human recombinant CA5A by CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.22 "Ki" "Inhibition of human recombinant CA5B by CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 6.93 "Ki" "Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "O24855" "cynT" "CYNT_HELPY" 6.66 "Ki" "Inhibition of Helicobacter pylori recombinant CA" "CHEMBL" "=" "Helicobacter pylori (strain ATCC 700392 / 26695)" "zonisamide" 2872 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 7.05 "Ki" "Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.28 "Ki" "Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.54 "Ki" "Competitive inhibition of rat MAO B by spectrophotometry" "CHEMBL" "=" "Rattus norvegicus" "zonisamide" 2872 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 6.37 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.2 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "zonisamide" 2872 "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)" "zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 7.46 "Ki" "Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "zonisamide" 2872 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 6.68 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "zonisamide" 2872 "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)" "zonisamide" 2872 "Alpha carbonic anhydrase" "Enzyme" "B5SU02" "CA" "B5SU02_9CNID" 6.59 "Ki" "Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay" "CHEMBL" "=" "Stylophora pistillata" "zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "C0IX24" "CA2" "C0IX24_9CNID" 6.19 "Ki" "Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Stylophora pistillata" "zonisamide" 2872 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 6.01 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "zonisamide" 2872 "Astrosclerin-3" "Enzyme" "A6YCJ1" "A6YCJ1_9METZ" 6.78 "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" "zonisamide" 2872 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.54 "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)" "zonisamide" 2872 "Delta carbonic anhydrase" "Unclassified" "Q5U9J1" "ca1" "Q5U9J1_THAWE" 6.39 "Ki" "Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Thalassiosira weissflogii" "zonisamide" 2872 "Carbonic anhydrase 2" "Enzyme" "P9WPJ9" "mtcA2" "MTCA2_MYCTU" 6.06 "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)" "zonisamide" 2872 "Carbonic anhydrase V" "Enzyme" "P35218|Q9Y2D0" "CA5A|CA5B" "CAH5A_HUMAN|CAH5B_HUMAN" 7.69 "Ki" "Mean inhibitory constant towards human carbonic anhydrase V determined by spectrophotometric dansylamide binding assay" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zonisamide" 2872 "Carbonic anhydrase 3" "Enzyme" "Q3SZX4" "CA3" "CAH3_BOVIN" 5.07 "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" "zonisamide" 2872 "Amine oxidase [flavin-containing]" "Enzyme" "Q6NSN2" "mao" "AOF_DANRE" 4.51 "Ki" "Competitive inhibition of zebrafish MAO by spectrophotometry" "CHEMBL" "=" "Danio rerio" "zonisamide" 2872 "Carbonic anhydrase" "Enzyme" "Q5TU56" "Q5TU56_ANOGA" 6.58 "Ki" "CHEMBL" "=" "Anopheles gambiae" "zonisamide" 2872 "Carbonic anhydrase, alpha family" "Unclassified" "Q31FD6" "Q31FD6_HYDCU" 6.39 "Ki" "Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Hydrogenovibrio crunogenus (strain XCL-2)" "zonisamide" 2872 "Carbonate dehydratase" "Enzyme" "B2V8E3" "B2V8E3_SULSY" 6.85 "Ki" "Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Sulfurihydrogenibium sp. (strain YO3AOP1)" "zopiclone" 2873 "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" 7.54 "IC50" "Binding affinity against central benzodiazepine receptor(CBR)." "CHEMBL" "=" "Rattus norvegicus" "zopiclone" 2873 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 7.176 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zopiclone" 2873 "GABA-A receptor alpha-5/beta-3/gamma-2" "Ion channel" "P18507|P28472|P31644" "GABRG2|GABRB3|GABRA5" "GBRG2_HUMAN|GBRB3_HUMAN|GBRA5_HUMAN" 7.278 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zopiclone" 2873 "GABA-A receptor alpha-1/beta-2/gamma-3" "Ion channel" "P14867|P47870|Q99928" "GABRA1|GABRB2|GABRG3" "GBRA1_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 7.155 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zopiclone" 2873 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18507|P34903|P47870" "GABRG2|GABRA3|GABRB2" "GBRG2_HUMAN|GBRA3_HUMAN|GBRB2_HUMAN" 6.582 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zopiclone" 2873 "GABA A receptor alpha-3/beta-2/gamma-3" "Ion channel" "P34903|P47870|Q99928" "GABRA3|GABRB2|GABRG3" "GBRA3_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.488 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zopiclone" 2873 "GABA A receptor alpha-5/beta-3/gamma-3" "Ion channel" "P28472|P31644|Q99928" "GABRB3|GABRA5|GABRG3" "GBRB3_HUMAN|GBRA5_HUMAN|GBRG3_HUMAN" 6.75 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zopiclone" 2873 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P18507|P31644|P47870" "GABRG2|GABRA5|GABRB2" "GBRG2_HUMAN|GBRA5_HUMAN|GBRB2_HUMAN" 7.278 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zopiclone" 2873 "GABA A receptor alpha-5/beta-2/gamma-3" "Ion channel" "P31644|P47870|Q99928" "GABRA5|GABRB2|GABRG3" "GBRA5_HUMAN|GBRB2_HUMAN|GBRG3_HUMAN" 6.75 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021476s030lbl.pdf" "POSITIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "zotepine" 2875 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 5.394 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5.638 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.54 "Ki" "Binding affinity against dopamine receptor D1" "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.96 "Ki" "Binding affinity towards human D2 dopamine receptor." "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.686 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.821 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.15 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 6.48 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.04 "Ki" "Binding affinity towards human serotonin 5-hydroxytryptamine 2A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.54 "Ki" "Binding affinity towards human serotonin 5-hydroxytryptamine 2C receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "zotepine" 2875 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.155 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.273 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.19 "Ki" "Binding affinity towards human dopamine receptor D3" "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.606 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "zotepine" 2875 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.21 "Ki" "Binding affinity towards human H1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.301 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Histamine H4 receptor" "GPCR" "Q9H3N8" "HRH4" "HRH4_HUMAN" 5.704 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "zotepine" 2875 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.745 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.854 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.137 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.26 "Ki" "Binding affinity towards human muscarinic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.585 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "zotepine" 2875 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.016 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.441 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.41 "Ki" "Binding affinity towards human dopamine-4.2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 6.326 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.301 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 7.538 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "zotepine" 2875 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 8.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "zotepine" 2875 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 8.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "zuclopenthixol" 2877 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "zuclopenthixol" 2877 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.77 "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" "zuclopenthixol" 2877 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "zuclopenthixol" 2877 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" "WOMBAT-PK" 1 "DRUG LABEL" "http://www.medicines.org.uk/emc/medicine/1073" "ANTAGONIST" "Tclin" "Homo sapiens" "zuclopenthixol" 2877 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "WOMBAT-PK" 1 "DRUG LABEL" "http://www.medicines.org.uk/emc/medicine/1073" "ANTAGONIST" "Tclin" "Homo sapiens" "ziconotide" 2878 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q00975" "CACNA1B" "CAC1B_HUMAN" "UNKNOWN" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1795072" "BLOCKER" "Tclin" "Homo sapiens" "ziconotide" 2878 "Voltage-dependent N-type calcium channel subunit alpha-1B" "Ion channel" "Q02294" "Cacna1b" "CAC1B_RAT" 10.3 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "ziconotide" 2878 "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" "Ion channel" "P54282" "Cacna1a" "CAC1A_RAT" 6.3 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "zotarolimus" 2949 "Peptidyl-prolyl cis-trans isomerase FKBP1A" "Enzyme" "P62942" "FKBP1A" "FKB1A_HUMAN" 8.55 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "zotarolimus" 2949 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 8.48 "IC50" "Inhibitory activity against FKBP12" "CHEMBL" "=" "Tclin" "Homo sapiens" "eledoisin" 2955 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 8.6 "IC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "eledoisin" 2955 "Neuromedin-K receptor" "GPCR" "P29371" "TACR3" "NK3R_HUMAN" 9.66 "EC50" "Agonist activity at NK3R (unknown origin) transfected in CHO cells assessed as calcium influx at 10 mM" "CHEMBL" "=" "Tchem" "Homo sapiens" "gonadorelin" 2958 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8 "IC50" "The Compound was tested for the concentration to inhibit 50% of [125 I ]leuprorelin binding to the cloned human Leutinizing releasing hormone receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1007" "AGONIST" "Tclin" "Homo sapiens" "gonadorelin" 2958 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 8.7 "IC50" "Concentration of the peptide which displaces 50% of 125 I-[D-Lys6] gonadotropin-releasing hormone bound to rat pituitary membranes" "CHEMBL" "=" "Rattus norvegicus" "gonadorelin" 2958 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P16235" "Lhcgr" "LSHR_RAT" 8.9 "Ki" "CHEMBL" "=" "Rattus norvegicus" "lypressin" 2959 "Vasopressin receptor" "GPCR" "P30518|P37288|P47901" "AVPR2|AVPR1A|AVPR1B" "V2R_HUMAN|V1AR_HUMAN|V1BR_HUMAN" "Mechanism of Action; CHEMBL2363078; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200690" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "mifamurtide" 2960 "Nucleotide-binding oligomerization domain-containing protein 2" "Cytosolic other" "Q9HC29" "NOD2" "NOD2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000802/WC500026565.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000802/WC500026565.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "suramin" 2966 "NAD-dependent protein deacetylase sirtuin-1" "Enzyme" "Q96EB6" "SIRT1" "SIR1_HUMAN" 6.52 "IC50" "Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "suramin" 2966 "P2Y purinoceptor 6" "GPCR" "Q15077" "P2RY6" "P2RY6_HUMAN" 4 "Kb" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "suramin" 2966 "P2Y purinoceptor 1" "GPCR" "P47900" "P2RY1" "P2RY1_HUMAN" 5.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "suramin" 2966 "NAD-dependent protein deacetylase sirtuin-2" "Enzyme" "Q8IXJ6" "SIRT2" "SIR2_HUMAN" 5.96 "IC50" "Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "suramin" 2966 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 4.3 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "suramin" 2966 "P2Y purinoceptor 11" "GPCR" "Q96G91" "P2RY11" "P2Y11_HUMAN" 6 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tbio" "Homo sapiens" "suramin" 2966 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 5.27 "IC50" "Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-SAM by scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "suramin" 2966 "P2Y purinoceptor 13" "GPCR" "Q9BPV8" "P2RY13" "P2Y13_HUMAN" 5.6 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "suramin" 2966 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 5.03 "IC50" "Inhibition of purified HIV-1 reverse transcriptase" "CHEMBL" "=" "Human immunodeficiency virus 1" "suramin" 2966 "DNA-dependent protein kinase catalytic subunit" "Kinase" "P78527" "PRKDC" "PRKDC_HUMAN" 5.77 "IC50" "Inhibitory activity against DNA-DNA dependent protein kinase (DNA-PK)" "CHEMBL" "=" "Tchem" "Homo sapiens" "suramin" 2966 "RmtA" "Enzyme" "Q5VLE3" "rmtA" "Q5VLE3_EMEND" 5.23 "IC50" "Inhibition of Aspergillus nidulans recombinant GST-RmtA expressed in BL21 cells" "CHEMBL" "=" "Emericella nidulans" "suramin" 2966 "P2X purinoceptor 4" "Ion channel" "Q99571" "P2RX4" "P2RX4_HUMAN" 6.749 "Ki" "PDSP" "Tchem" "Homo sapiens" "suramin" 2966 "ATP-dependent 6-phosphofructokinase" "Kinase" "O15648" "pfk" "PFKA_TRYBB" 5.52 "IC50" "Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay" "CHEMBL" "=" "Trypanosoma brucei brucei" "suramin" 2966 "Protein kinase C (PKC)" "Kinase" "O94806|P05129|P05771|P17252|P24723|P41743|Q02156|Q04759|Q05513|Q05655|Q15139" "PRKD3|PRKCG|PRKCB|PRKCA|PRKCH|PRKCI|PRKCE|PRKCQ|PRKCZ|PRKCD|PRKD1" "KPCD3_HUMAN|KPCG_HUMAN|KPCB_HUMAN|KPCA_HUMAN|KPCL_HUMAN|KPCI_HUMAN|KPCE_HUMAN|KPCT_HUMAN|KPCZ_HUMAN|KPCD_HUMAN|KPCD1_HUMAN" 4.54 "IC50" "Inhibition of Protein kinase C (PKC)" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "suramin" 2966 "P2X purinoceptor 3" "Ion channel" "P56373" "P2RX3" "P2RX3_HUMAN" 5.963 "Ki" "PDSP" "Tchem" "Homo sapiens" "suramin" 2966 "NAD-dependent protein deacylase sirtuin-5, mitochondrial" "Enzyme" "Q9NXA8" "SIRT5" "SIR5_HUMAN" 4.85 "IC50" "Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate after 60 mins by glutamate dehydrogenase-coupled assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "suramin" 2966 "Nucleoside triphosphate diphosphohydrolase 3" "Enzyme" "Q80Z26" "Entpd3" "Q80Z26_RAT" 4.9 "Ki" "Inhibition of rat recombinant NTPDase3 expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "suramin" 2966 "Ectonucleoside triphosphate diphosphohydrolase 2" "Enzyme" "O35795" "Entpd2" "ENTP2_RAT" 4.18 "Ki" "Inhibition of rat recombinant NTPDase2 expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "suramin" 2966 "P2X purinoceptor 3" "Unclassified" "P49654" "P2rx3" "P2RX3_RAT" 5.52 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "suramin" 2966 "P2X purinoceptor 2" "Unclassified" "P49653" "P2rx2" "P2RX2_RAT" 4.98 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "suramin" 2966 "P2X purinoceptor 1" "Unclassified" "P47824" "P2rx1" "P2RX1_RAT" 6 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "suramin" 2966 "P2X purinoceptor 5" "Unclassified" "P51578" "P2rx5" "P2RX5_RAT" 5.4 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "suramin" 2966 "Signal transducer and activator of transcription 1-alpha/beta" "Unclassified" "P42224" "STAT1" "STAT1_HUMAN" 5.04 "IC50" "Inhibition of 5-carboxyfluorescein-GpYDKPHVL-OH binding to STAT1 (unknown origin) pre-incubated for 1 hr before fluorescent-labelled peptide addition by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "suramin" 2966 "Signal transducer and activator of transcription 5A" "Unclassified" "P42229" "STAT5A" "STA5A_HUMAN" 5.03 "IC50" "Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to C-terminal 6x-His-tagged and an N-terminal maltose-binding protein-tagged STAT5A SH2 domain (137 to 507 residues) (unknown origin) expressed in Escherichia coli Rosetta BL21 DE3 pre-incubated for 1 hr before fluorescent-labelled peptide addition by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "suramin" 2966 "Signal transducer and activator of transcription 5B" "Unclassified" "P51692" "STAT5B" "STA5B_HUMAN" 4.98 "IC50" "Inhibition of 5-carboxyfluorescein-GpYLVLDKW-OH binding to STAT5B SH2 domain (unknown origin) pre-incubated for 1 hr before fluorescent-labelled peptide addition by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "triptorelin" 2968 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.025 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201334" "AGONIST" "Tclin" "Homo sapiens" "triptorelin" 2968 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 8.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "doxacurium" 2974 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "doxacurium" 2974 "Neuronal acetylcholine receptor subunit alpha-2" "Ion channel" "Q15822" "CHRNA2" "ACHA2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "doxacurium" 2974 "Acetylcholine receptor" "Ion channel" "P02708|P11230|Q07001" "CHRNA1|CHRNB1|CHRND" "ACHA_HUMAN|ACHB_HUMAN|ACHD_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1237099" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "histrelin" 2975 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" "Mechanism of Action; CHEMBL1855; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201255" "AGONIST" "Tclin" "Homo sapiens" "caspofungin" 2977 "Beta-1,3-glucan synthase catalytic subunit 1" "Enzyme" "O13428" "GSC1" "O13428_CANAX" 8.89 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499808" "INHIBITOR" "Candida albicans" "caspofungin" 2977 "1,3-beta-glucan synthase catalytic subunit FksP" "Enzyme" "Q4WLT4" "Q4WLT4_ASPFU" "Mechanism of Action; CHEMBL2364674; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL499808" "INHIBITOR" "Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)" "caspofungin" 2977 "1,3-beta-D-glucan synthase catalytic subunit" "Unclassified" "O13383" "CaFKS1" "O13383_CANAX" 9.62 "IC50" "Inhibition of wild type Candida albicans MY1055 1,3-beta-D-glucan synthase using UDP[6,3H]-glucose as substrate after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Candida albicans" "calcitonin (salmon synthetic)" 2989 "Amylin receptor AMY1" "GPCR" "P30988|O60894" "CALCR|RAMP1" "CALCR_HUMAN|RAMP1_HUMAN" 9.65 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10385705" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "calcitonin (salmon synthetic)" 2989 "Amylin receptor AMY2" "GPCR" "P30988|O60895" "CALCR|RAMP2" "CALCR_HUMAN|RAMP2_HUMAN" 9.873 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10385705" "AGONIST" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "calcitonin (salmon synthetic)" 2989 "Amylin receptor AMY3" "GPCR" "P30988|O60896" "CALCR|RAMP3" "CALCR_HUMAN|RAMP3_HUMAN" 9.499 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10385705" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "calcitonin (salmon synthetic)" 2989 "Calcitonin receptor" "GPCR" "P30988" "CALCR" "CALCR_HUMAN" 11.086 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/14623894" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/017808s036lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "desirudin" 2990 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 12.7 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021271s006lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "glucagon" 2994 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 7 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "glucagon" 2994 "Glucagon receptor" "GPCR" "P47871" "GCGR" "GLR_HUMAN" 9 "EC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201618" "AGONIST" "Tclin" "Homo sapiens" "glucagon" 2994 "Glucagon receptor" "GPCR" "P30082" "Gcgr" "GLR_RAT" 8.82 "IC50" "Compound was tested for its ability to displace [125I]glucagon from the glucagon receptor" "CHEMBL" "=" "Rattus norvegicus" "glucagon" 2994 "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" 8.23 "EC50" "Adenylate cyclase activity measured as 50% inhibitory concentration" "CHEMBL" "=" "Rattus norvegicus" "glucagon" 2994 "Glucagon-like peptide 1 receptor" "GPCR" "F8V479" "GLP1R" "F8V479_MACFA" 10.51 "EC50" "Agonist activity at monkey GLP1R expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay" "CHEMBL" "=" "Macaca fascicularis" "glucagon" 2994 "Glucagon-like peptide 1 receptor" "GPCR" "O35659" "Glp1r" "GLP1R_MOUSE" 10.36 "EC50" "Agonist activity at mouse GLP-1 receptor expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by HTRF assay" "CHEMBL" "=" "Mus musculus" "lepirudin" 2995 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 13 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/020807s011lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "somatostatin" 2997 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.22 "IC50" "Inhibition of binding of [3H]-naloxone to Opioid receptor mu 1 of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "somatostatin" 2997 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 5.7 "IC50" "Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1 of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "somatostatin" 2997 "Somatostatin receptor type 2" "GPCR" "P30875" "Sstr2" "SSR2_MOUSE" 9.55 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b" "CHEMBL" "=" "Mus musculus" "somatostatin" 2997 "Somatostatin receptor type 3" "GPCR" "P30935" "Sstr3" "SSR3_MOUSE" 10.1 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3" "CHEMBL" "=" "Mus musculus" "somatostatin" 2997 "Somatostatin receptor type 5" "GPCR" "P30938" "Sstr5" "SSR5_RAT" 9.07 "IC50" "Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5" "CHEMBL" "=" "Rattus norvegicus" "somatostatin" 2997 "Somatostatin receptor" "GPCR" "O08858|P30873|P30875|P30935|P49660" "Sstr5|Sstr1|Sstr2|Sstr3|Sstr4" "SSR5_MOUSE|SSR1_MOUSE|SSR2_MOUSE|SSR3_MOUSE|SSR4_MOUSE" 5.89 "IC50" "Compound was tested for its binding affinity against somatostatin receptors on AtT-20 cells" "CHEMBL" "=" "Mus musculus" "somatostatin" 2997 "Somatostatin receptor" "GPCR" "P28646|P30680|P30936|P30937|P30938" "Sstr1|Sstr2|Sstr3|Sstr4|Sstr5" "SSR1_RAT|SSR2_RAT|SSR3_RAT|SSR4_RAT|SSR5_RAT" 9.7 "IC50" "Compound was tested for its potency to displace 3-[125I]- - Tyr11-SRIF-14 from somatostatin receptor on membranes of rat cerebral cortex" "CHEMBL" "=" "Rattus norvegicus" "somatostatin" 2997 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 10.46 "Ki" "Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-2) subtype" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/FamilyDisplayForward?familyId=61" "AGONIST" "Tclin" "Homo sapiens" "somatostatin" 2997 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 10 "Ki" "Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/FamilyDisplayForward?familyId=61" "AGONIST" "Tclin" "Homo sapiens" "somatostatin" 2997 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 9.85 "Ki" "Inhibition of human sst5 receptor expressed in CHO cells" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/FamilyDisplayForward?familyId=61" "AGONIST" "Tclin" "Homo sapiens" "somatostatin" 2997 "Somatostatin receptor type 4" "GPCR" "P31391" "SSTR4" "SSR4_HUMAN" 9.23 "Ki" "Inhibition of human sst4 receptor expressed in CHO cells" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/FamilyDisplayForward?familyId=61" "AGONIST" "Tclin" "Homo sapiens" "somatostatin" 2997 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 9.54 "Ki" "Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-1) subtype" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/FamilyDisplayForward?familyId=61" "AGONIST" "Tclin" "Homo sapiens" "pyrantel" 2999 "Acetylcholinesterase" "Enzyme" "O96529" "ACHE" "O96529_MELIC" "WOMBAT-PK" "Meloidogyne incognita" "atosiban" 3008 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" 9.82 "Ki" "Binding affinity to human vasopressin V1a receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "atosiban" 3008 "Vasopressin V1b receptor" "GPCR" "P47901" "AVPR1B" "V1BR_HUMAN" 7.36 "Ki" "Binding affinity to human vasopressin V1b receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "atosiban" 3008 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 6.48 "Ki" "Binding affinity to human vasopressin V2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "atosiban" 3008 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 7.4 "Ki" "CHEMBL" "=" "Rattus norvegicus" "atosiban" 3008 "Oxytocin receptor" "GPCR" "P30559" "OXTR" "OXYR_HUMAN" 7.96 "Ki" "Binding affinity to human oxytocin receptor" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000253/WC500040495.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "oxybuprocaine" 3016 "Sodium channel protein type 10 subunit alpha" "Ion channel" "Q9Y5Y9" "SCN10A" "SCNAA_HUMAN" "DRUGBANK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200" "BLOCKER" "Tclin" "Homo sapiens" "oxybuprocaine" 3016 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.54 "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" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "benzethonium" 3018 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.934 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.051 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.888 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.046 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.432 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.269 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.532 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.004 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.69 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.092 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.444 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.018 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "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" "benzethonium" 3018 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.965 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.649 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.115 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.681 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "benzethonium" 3018 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 6.192 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "benzethonium" 3018 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 7.155 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "benzethonium" 3018 "KiSS-1 receptor" "GPCR" "Q969F8" "KISS1R" "KISSR_HUMAN" 5.44 "Ki" "Displacement of [125]metastin from metastin receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "bergapten" 3021 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.86 "IC50" "Inhibition of MAO-A (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "bergapten" 3021 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q63470" "Dyrk1a" "DYR1A_RAT" 5.83 "AC50" "active" "CHEMBL" "=" "Rattus norvegicus" "bergapten" 3021 "Cytochrome P450 1A1" "Enzyme" "P04798" "CYP1A1" "CP1A1_HUMAN" 7.22 "Ki" "Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control" "CHEMBL" "=" "Tchem" "Homo sapiens" "bietamiverine" 3025 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.57 "Ki" "Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "bietamiverine" 3025 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.99 "Ki" "Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "bietamiverine" 3025 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.73 "Ki" "Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.299 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "bithionol" 3032 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 5.651 "Ki" "DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 6.184 "Ki" "DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.843 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.912 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.501 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.365 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.337 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.252 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.844 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.195 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.761 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.33 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 5.4 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.09 "IC50" "PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this dose response confirmation assay.)]" "CHEMBL" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.212 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.647 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.668 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "bithionol" 3032 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.735 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.498 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.41 "IC50" "Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.809 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.415 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.26 "IC50" "CHEMBL" "=" "Rattus norvegicus" "bithionol" 3032 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 5.72 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 5.28 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 5.18 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "Solute carrier family 22 member 3" "Transporter" "O75751" "SLC22A3" "S22A3_HUMAN" 5.26 "IC50" "Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bithionol" 3032 "M1-family alanyl aminopeptidase" "Enzyme" "Q8IEK1" "Q8IEK1_PLAF7" 4.37 "IC50" "Active" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "bithionol" 3032 "Envelope glycoprotein gp160" "Viral envelope protein" "Q75760" "env" "Q75760_9HIV1" 5.21 "IC50" "Active" "CHEMBL" "=" "Human immunodeficiency virus 1" "bithionol" 3032 "Potassium channel subfamily T member 1" "Ion channel" "Q9Z258" "Kcnt1" "KCNT1_RAT" 6 "EC50" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" "bithionol" 3032 "N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D" "Unclassified" "Q6IQ20" "NAPEPLD" "NAPEP_HUMAN" 4.97 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "broxuridine" 3042 "Thymidine kinase, cytosolic" "Kinase" "P04183" "TK1" "KITH_HUMAN" 5.3 "Ki" "Binding affinity against HSV-1(KOS) thymidine kinase" "CHEMBL" "=" "Tchem" "Homo sapiens" "broxuridine" 3042 "Thymidylate kinase" "Kinase" "P9WKE1" "tmk" "KTHY_MYCTU" 5.3 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant TMPK" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "bufexamac" 3047 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 4.97 "Kd" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "bufexamac" 3047 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 4.91 "Kd" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "bufexamac" 3047 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 6.89 "IC50" "Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat basophilic leukemia cells (RBL-1)" "CHEMBL" "=" "Rattus norvegicus" "bufexamac" 3047 "M1-family alanyl aminopeptidase" "Enzyme" "Q8IEK1" "Q8IEK1_PLAF7" 4.09 "IC50" "Active" "CHEMBL" "=" "Plasmodium falciparum (isolate 3D7)" "butacaine" 3050 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.57 "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" "butethamine" 3053 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.26 "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" "capsaicin" 3064 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" 8.22 "Ki" "Binding affinity to human recombinant TRPV1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL294199" "OPENER" "Tclin" "Homo sapiens" "capsaicin" 3064 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.42 "IC50" "Inhibition of COX1" "CHEMBL" "=" "Tclin" "Homo sapiens" "capsaicin" 3064 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.523 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "capsaicin" 3064 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.25 "IC50" "Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method" "CHEMBL" "=" "Tclin" "Homo sapiens" "capsaicin" 3064 "Potassium voltage-gated channel subfamily A member 1" "Ion channel" "Q09470" "KCNA1" "KCNA1_HUMAN" 4.54 "IC50" "Inhibition of Kv1.1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "capsaicin" 3064 "Tyrosine--tRNA ligase, cytoplasmic" "Enzyme" "P54577" "YARS" "SYYC_HUMAN" 4.38 "Ki" "Compound was tested for the inhibition of aminoacyl tRNA Synthetase" "CHEMBL" "=" "Tchem" "Homo sapiens" "capsaicin" 3064 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "O35433" "Trpv1" "TRPV1_RAT" 5.77 "Ki" "In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsaicin" "CHEMBL" "=" "Rattus norvegicus" "capsaicin" 3064 "NADH-ubiquinone oxidoreductase chain 1 " "Unclassified" "P03887" "MT-ND1" "NU1M_BOVIN" 4.28 "IC50" "Inhibition of Bos taurus (bovine) heart submitochondrial particle NDH1 assessed as NADH-DB reductase activity" "CHEMBL" "=" "Bos taurus" "capsaicin" 3064 "Transient receptor potential cation channel subfamily M member 8" "Ion channel" "Q8R4D5" "Trpm8" "TRPM8_MOUSE" 4.55 "IC50" "Antagonist at TRPM8 isolated from mouse dorsal root ganglion cells expressed in HEK T-REx cells assessed as inhibition of menthol-induced intracellular Ca2+ influx by fluorescence-based assay" "CHEMBL" "=" "Mus musculus" "capsaicin" 3064 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q704Y3" "Trpv1" "TRPV1_MOUSE" 8 "EC50" "IUPHAR" "=" "ACTIVATOR" "Mus musculus" "capsaicin" 3064 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.6 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "capsaicin" 3064 "Potassium voltage-gated channel subfamily A member 1" "Ion channel" "P16388" "Kcna1" "KCNA1_MOUSE" 4.5 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "capsaicin" 3064 "Potassium voltage-gated channel subfamily A member 2" "Ion channel" "P63142" "Kcna2" "KCNA2_RAT" 4.4 "Kd" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "capsaicin" 3064 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.25 "IC50" "Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method" "CHEMBL" "=" "Tclin" "Homo sapiens" "carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.51 "IC50" "Inhibitory activity towards eel acetylcholinesterase (AChE)" "CHEMBL" "=" "Electrophorus electricus" "carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "P23795" "ACHE" "ACES_BOVIN" 5.21 "IC50" "Inhibition of Bos taurus (bovine) erythrocytes acetylcholinesterase" "CHEMBL" "=" "Bos taurus" "carbaryl" 3066 "Ace-orthologous acetylcholinesterase; Acetylcholinesterase" "Unclassified" "Q9NJH6" "AO-AChE" "Q9NJH6_NEPCI" 7.54 "IC50" "Inhibition of drug-susceptible Nephotettix cincticeps Ageo (green rice leafhopper) acetylcholinesterase" "CHEMBL" "=" "Nephotettix cincticeps" "carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "Q7YWJ9" "Ache" "Q7YWJ9_MUSDO" 6.7 "IC50" "Inhibition of Musca domestica (house fly) NAIDM head acetylcholinesterase" "CHEMBL" "=" "Musca domestica" "carbaryl" 3066 "Acetylcholinesterase" "Enzyme" "K4JQ36" "ace2" "K4JQ36_9HEMI" 7.32 "IC50" "Inhibition of acetylcholinesterase in Laodelphax striatella Ibaraki (small brown planthopper) homogenate preincubated for 10 min before substrate addition measured after 10 min by Ellman method" "CHEMBL" "=" "Laodelphax striatella" "carbon tetrachloride" 3067 "Cytochrome P450 2E1" "Enzyme" "P05181" "CYP2E1" "CP2E1_HUMAN" 4.959 "IC50" "DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tbio" "Homo sapiens" "carglumic acid" 3068 "Carbamoyl-phosphate synthase [ammonia], mitochondrial" "Enzyme" "P31327" "CPS1" "CPSM_HUMAN" "Mechanism of Action; CHEMBL2362990; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201780" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "articaine" 3070 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.29 "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" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1093" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cetrimonium" 3082 "Dynamin-1" "Structural" "Q05193" "DNM1" "DYN1_HUMAN" 5.36 "IC50" "Concentration required against dynamin-1 GTPase activity of sheep brain." "CHEMBL" "=" "Tbio" "Homo sapiens" "cetylpyridinium" 3083 "High affinity choline transporter 1" "Transporter" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 4.49 "Ki" "Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome" "CHEMBL" "=" "Mus musculus" "cetylpyridinium" 3083 "Caspase-2" "Enzyme" "P42575" "CASP2" "CASP2_HUMAN" 4.68 "EC50" "Activation of procaspase 2 after 24 hrs" "CHEMBL" "=" "Tchem" "Homo sapiens" "chloroxylenol" 3094 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.928 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chloroxylenol" 3094 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.738 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "chlorquinaldol" 3095 "Botulinum neurotoxin type A" "Enzyme" "P10845" "botA" "BXA1_CLOBO" 5 "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" "cholic acid" 3096 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 4.35 "EC50" "Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cholic acid" 3096 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 5 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "choline" 3097 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 4.38 "Ki" "Binding affinity towards rat forebrain nicotinic acetylcholine receptor using [3H]EB as radioligand" "CHEMBL" "=" "Torpedo californica" "choline" 3097 "High affinity choline transporter 1" "Transporter" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 5.8 "IC50" "In vitro ability to inhibit the transport of [3H]choline in to high affinity choline transport system HAChT" "CHEMBL" "=" "Mus musculus" "choline" 3097 "Neuronal acetylcholine receptor; alpha2/beta2" "Ion channel" "P12389|P12390" "Chrna2|Chrnb2" "ACHA2_RAT|ACHB2_RAT" 4.74 "Ki" "Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "choline" 3097 "Neuronal acetylcholine receptor; alpha3/beta2" "Ion channel" "P04757|P12390" "Chrna3|Chrnb2" "ACHA3_RAT|ACHB2_RAT" 4.43 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "choline" 3097 "Neuronal acetylcholine receptor; alpha3/beta4" "Ion channel" "P04757|P12392" "Chrna3|Chrnb4" "ACHA3_RAT|ACHB4_RAT" 4.32 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "choline" 3097 "Neuronal acetylcholine receptor; alpha4/beta2" "Ion channel" "P09483|P12390" "Chrna4|Chrnb2" "ACHA4_RAT|ACHB2_RAT" 4.43 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "choline" 3097 "Neuronal acetylcholine receptor; alpha4/beta4" "Ion channel" "P09483|P12392" "Chrna4|Chrnb4" "ACHA4_RAT|ACHB4_RAT" 4.47 "Ki" "Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in HEK293 cells using [3H]EB as radioligand" "CHEMBL" "=" "Rattus norvegicus" "choline" 3097 "Creatine transporter" "Transporter" "P28570" "Slc6a8" "SC6A8_RAT" 4.38 "Ki" "Inhibition of [3H]-choline brain uptake was determined by in situ brain perfusion studies in male rats" "CHEMBL" "=" "Rattus norvegicus" "cinchophen" 3101 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 3.9 "Kd" "Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cinromide" 3102 "Sodium-dependent neutral amino acid transporter B(0)AT1" "Transporter" "Q695T7" "SLC6A19" "S6A19_HUMAN" 6.4 "IC50" "IUPHAR" "=" "INHIBITOR" "Homo sapiens" "clorindione" 3111 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.3 "IC50" "In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells." "CHEMBL" "=" "Rattus norvegicus" "cloxiquine" 3114 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 5.9 "IC50" "Inhibition of human methionine aminopeptidase 2" "CHEMBL" "=" "Tchem" "Homo sapiens" "cloxiquine" 3114 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.63 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "cloxiquine" 3114 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 4.89 "IC50" "Inhibition of human methionine aminopeptidase 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "cyclomethycaine" 3123 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.7 "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" "cynarine" 3124 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 5.8 "IC50" "CHEMBL" "=" "Human immunodeficiency virus 1" "demoxytocin" 3126 "Oxytocin receptor" "GPCR" "P70536" "Oxtr" "OXYR_RAT" 9.05 "Ki" "Binding affinity against Oxytocin receptor was determined in rat uterine membrane using radioligand [3H]oxytocin" "CHEMBL" "=" "Rattus norvegicus" "desomorphine" 3134 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 9.22 "EC50" "Binding affinity to opioid receptor in rat brain homogenates" "CHEMBL" "=" "Rattus norvegicus" "desonide" 3135 "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/CHEMBL1201109" "AGONIST" "Tclin" "Homo sapiens" "dibrompropamidine" 3137 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 5.8 "Ki" "compound was tested for inhibitory activity against Urokinase-type plasminogen activator (microPa)" "CHEMBL" "=" "Tchem" "Homo sapiens" "dibrompropamidine" 3137 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.02 "Ki" "compound was tested for inhibitory activity against Thrombin" "CHEMBL" "=" "Tclin" "Homo sapiens" "dibrompropamidine" 3137 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 6.27 "Ki" "compound was tested for inhibitory activity against Matriptase" "CHEMBL" "=" "Tchem" "Homo sapiens" "dibrompropamidine" 3137 "Acrosin" "Enzyme" "P08001" "ACR" "ACRO_PIG" 5.77 "Ki" "Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis" "CHEMBL" "=" "Sus scrofa" "difluprednate" 3142 "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/CHEMBL1201749" "AGONIST" "Tclin" "Homo sapiens" "quinisocaine" 3153 "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" "diosmin" 3157 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.99 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "diosmin" 3157 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.99 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dioxadrol" 3158 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 7.46 "Ki" "Displacement of [3H](+)-pentazocine from sigma1 opioid receptor from guinea pig brain cortex after 150 mins by scintillation counting" "CHEMBL" "=" "Cavia porcellus" "disufenton" 3162 "Lipoxygenase" "Unclassified" "Q39829" "Q39829_SOYBN" 4.24 "IC50" "Inhibition of soybean lipoxygenase using sodium linoleate as substrate by UV-based analysis" "CHEMBL" "=" "Glycine max" "disufenton" 3162 "Lipoxygenase" "Unclassified" "Q39829" "Q39829_SOYBN" 4.24 "IC50" "Inhibition of soybean lipoxygenase using sodium linoleate as substrate by UV-based analysis" "CHEMBL" "=" "Glycine max" "domitroban" 3165 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 9.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "domitroban" 3165 "Thromboxane A2 receptor" "GPCR" "P30987" "Tbxa2r" "TA2R_MOUSE" 9.2 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "eburnamonine" 3170 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.1 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "eburnamonine" 3170 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 4.2 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "eburnamonine" 3170 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.2 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "eburnamonine" 3170 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.6 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "edoxudine" 3173 "Thymidine kinase" "Kinase" "A3RLP8" "UL23" "A3RLP8_CHV1" 6.82 "IC50" "Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylation" "CHEMBL" "=" "Cercopithecine herpesvirus 1" "eicosapentaenoic acid" 3174 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.27 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "Tclin" "Homo sapiens" "eicosapentaenoic acid" 3174 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 5.96 "IC50" "Inhibition of PPAR-alpha (unknown origin) by SPA assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "eicosapentaenoic acid" 3174 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.7 "Kd" "Binding affinity to PPARgamma" "CHEMBL" "=" "Tclin" "Homo sapiens" "eicosapentaenoic acid" 3174 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 5.12 "Ki" "Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "eicosapentaenoic acid" 3174 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.4 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "eicosapentaenoic acid" 3174 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.11 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "Tchem" "Homo sapiens" "eicosapentaenoic acid" 3174 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.15 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "Ovis aries" "eicosapentaenoic acid" 3174 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.89 "IC50" "Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "Bos taurus" "eicosapentaenoic acid" 3174 "Oxoeicosanoid receptor 1" "GPCR" "Q8TDS5" "OXER1" "OXER1_HUMAN" 5.7 "IC50" "Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "eicosapentaenoic acid" 3174 "Retinoic acid receptor RXR-alpha" "Nuclear other" "P19793" "RXRA" "RXRA_HUMAN" 5.12 "Ki" "Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "enilconazole" 3177 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.64 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "enoxolone" 3178 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.61 "IC50" "Inhibition of human recombinant 5-LOX expressed in insect cells assessed as decrease in production of 5-HPETE and 5-HETE using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 20 mins in dark by ferric ion oxidation-xylenol orange method" "CHEMBL" "=" "Tclin" "Homo sapiens" "enoxolone" 3178 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.34 "IC50" "Inhibition of recombinant PTP1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "enoxolone" 3178 "Liver carboxylesterase 1" "Enzyme" "P23141" "CES1" "EST1_HUMAN" 4.68 "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" "enoxolone" 3178 "Protein kinase C eta type" "Kinase" "P24723" "PRKCH" "KPCL_HUMAN" 6.6 "Kd" "Binding affinity to recombinant human PKCeta in after 2 hrs by microequilibrium dialysis assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P80365" "HSD11B2" "DHI2_HUMAN" 8.91 "IC50" "Inhibition of human 11beta-HSD2" "CHEMBL" "=" "Tchem" "Homo sapiens" "enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P28845" "HSD11B1" "DHI1_HUMAN" 8.07 "IC50" "Inhibition of human 11beta HSD1 expressed in HEK293 cells assessed as assessed as inhibition of [1,2-(n)3H]cortisone to [3H]-cortisol after 60 mins by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "enoxolone" 3178 "Glycogen phosphorylase, muscle form" "Enzyme" "P00489" "PYGM" "PYGM_RABIT" 4.18 "IC50" "Inhibition of rabbit muscle glycogen phosphorylase A assessed as phosphate release from glucose-1-phosphate" "CHEMBL" "=" "Oryctolagus cuniculus" "enoxolone" 3178 "Cocaine esterase" "Enzyme" "O00748" "CES2" "EST2_HUMAN" 4.16 "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" "enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P50172" "Hsd11b1" "DHI1_MOUSE" 8.7 "IC50" "Inhibition of mouse 11beta-HSD1 expressed in HEK293 cell microsomes assessed as inhibition of [3H]cortisone conversion to [3H]cortisol by scintillation proximity assay" "CHEMBL" "=" "Mus musculus" "enoxolone" 3178 "Aldo-keto reductase family 1 member B10" "Enzyme" "O60218" "AKR1B10" "AK1BA_HUMAN" 5.31 "IC50" "Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde reduction" "CHEMBL" "=" "Tchem" "Homo sapiens" "enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 1" "Enzyme" "P16232" "Hsd11b1" "DHI1_RAT" 7.05 "IC50" "Inhibition of 11beta-HSD1 in rat liver assessed as cortisone level" "CHEMBL" "=" "Rattus norvegicus" "enoxolone" 3178 "Corticosteroid 11-beta-dehydrogenase isozyme 2" "Enzyme" "P50233" "Hsd11b2" "DHI2_RAT" 6.44 "IC50" "Inhibition of rat renal 11beta-HSD2 in rat liver assessed as inhibition of cortisone production" "CHEMBL" "=" "Rattus norvegicus" "enoxolone" 3178 "Tyrosine-protein phosphatase non-receptor type 11" "Enzyme" "Q06124" "PTPN11" "PTN11_HUMAN" 5.02 "IC50" "Inhibition of recombinant SHP2" "CHEMBL" "=" "Tchem" "Homo sapiens" "enoxolone" 3178 "Protein-tyrosine phosphatase 1C" "Enzyme" "P29350" "PTPN6" "PTN6_HUMAN" 4.18 "IC50" "Inhibition of recombinant SHP1" "CHEMBL" "=" "Tchem" "Homo sapiens" "enoxolone" 3178 "High mobility group protein B1" "Nuclear other" "P09429" "HMGB1" "HMGB1_HUMAN" 4.06 "Kd" "Binding affinity to recombinant HMGB1 B box region (90 to 175 residues) (unknown origin) expressed Escherichia coli after 5 mins by fluorescence-based assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "enoxolone" 3178 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.61 "IC50" "Inhibition of human recombinant 5-LOX expressed in insect cells assessed as decrease in production of 5-HPETE and 5-HETE using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition measured after 20 mins in dark by ferric ion oxidation-xylenol orange method" "CHEMBL" "=" "Tclin" "Homo sapiens" "enoxolone" 3178 "Lactoylglutathione lyase" "Enzyme" "Q9CPU0" "Glo1" "LGUL_MOUSE" 6.54 "Ki" "Inhibition of recombinant mouse Glyoxalase-1 expressed in Escherichia coli BL21 (DE3) pLysS cells using GSH and MGO as substrate by Dixon plot" "CHEMBL" "=" "Mus musculus" "eseridine" 3186 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.82 "IC50" "Ex vivo inhibition of human erythrocyte Acetylcholinesterase." "CHEMBL" "=" "Tclin" "Homo sapiens" "eseridine" 3186 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 7.92 "IC50" "Ex vivo inhibition of human plasma Butyrylcholinesterase." "CHEMBL" "=" "Tclin" "Homo sapiens" "eseridine" 3186 "Acetylcholinesterase" "Enzyme" "P04058" "ache" "ACES_TORCA" 5.76 "IC50" "CHEMBL" "=" "Torpedo californica" "estriol" 3187 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.26 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estriol" 3187 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 4.748 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estriol" 3187 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.67 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=2821" "AGONIST" "Tclin" "Homo sapiens" "estriol" 3187 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.4 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "estriol" 3187 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "estriol" 3187 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 6.63 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "estriol" 3187 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.064 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "estriol" 3187 "Lanosterol 14-alpha demethylase" "Enzyme" "P9WPP9" "cyp51" "CP51_MYCTU" 4 "Kd" "Binding affinity to Mycobacterium tuberculosis His4-tagged recombinant CYP51 substrate binding site expressed in Escherichia coli HMS174(DE3) by UV-visible spectral titration method" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "estriol" 3187 "Olfactory receptor 51E2" "GPCR" "Q9H255" "OR51E2" "O51E2_HUMAN" 4.28 "EC50" "Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "estrone" 3188 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.55 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estrone" 3188 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.062 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "estrone" 3188 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.15 "EC50" "Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor alpha." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1405" "AGONIST" "Tclin" "Homo sapiens" "estrone" 3188 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.68 "EC50" "Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor beta." "CHEMBL" "=" "Tclin" "Homo sapiens" "estrone" 3188 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 5.6 "Ki" "Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD" "CHEMBL" "=" "Tclin" "Homo sapiens" "estrone" 3188 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "estrone" 3188 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" 4.29 "IC50" "Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "estrone" 3188 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.18 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "estrone" 3188 "Estradiol 17-beta-dehydrogenase 1" "Enzyme" "P14061" "HSD17B1" "DHB1_HUMAN" 8.52 "Ki" "Inhibition of 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+" "CHEMBL" "=" "Tchem" "Homo sapiens" "estrone" 3188 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.111 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "estrone" 3188 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 5.181 "IC50" "DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)" "DRUG MATRIX" "=" "Oryctolagus cuniculus" "estrone" 3188 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.678 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "ethacridine" 3194 "Telomerase reverse transcriptase" "Enzyme" "O14746" "TERT" "TERT_HUMAN" 5.09 "IC50" "Inhibitory activity against telomerase (Compound released from RNA/DNA heteroduplex derivatized resin [sequence (TTAGGG)3)" "CHEMBL" "=" "Tchem" "Homo sapiens" "ethacridine" 3194 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4.7 "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" "kainic acid" 3201 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.11 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor 1" "Ion channel" "P42261" "GRIA1" "GRIA1_HUMAN" 5.13 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 1 in HEK293 cells using [3H]-AMPA as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P39086" "GRIK1" "GRIK1_HUMAN" 6.75 "Ki" "Binding affinity against human ionotropic glutamate receptor kainate 1 in HK293 cells using [3H]kainate as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor 2" "Ion channel" "P42262" "GRIA2" "GRIA2_HUMAN" 4.91 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 2 in HK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 5" "Ion channel" "Q16478" "GRIK5" "GRIK5_HUMAN" 8.1 "Ki" "Ability to bind to Ionotropic glutamate receptor kainate (kainate 2) was evaluated." "CHEMBL" "=" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor 4" "Ion channel" "P48058" "GRIA4" "GRIA4_HUMAN" 5.77 "Ki" "Compound was tested for binding affinity against human Ionotropic glutamate receptor AMPA 4 in HEK293 cells using [3H]AMPA as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "Q13002" "GRIK2" "GRIK2_HUMAN" 7.49 "Ki" "Binding affinity against human ionotropic glutamate receptor ionotropic kainate 2 in HEK293 cells using [3H]kainate as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "Q13003" "GRIK3" "GRIK3_HUMAN" 8 "Ki" "Ability to bind to Ionotropic glutamate receptor ionotropic kainate 3 was evaluated" "CHEMBL" "=" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor 2" "Ion channel" "P19491" "Gria2" "GRIA2_RAT" 5.43 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR2(R) expressed in Sf9 cells" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor 3" "Ion channel" "P42263" "GRIA3" "GRIA3_HUMAN" 5.58 "Ki" "PDSP" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 4" "Ion channel" "Q16099" "GRIK4" "GRIK4_HUMAN" 8.64 "Ki" "PDSP" "Tclin" "Homo sapiens" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 2" "Ion channel" "P42260" "Grik2" "GRIK2_RAT" 8.43 "Ki" "Inhibition of [3H]kainate binding at rat forebrain ionotropic glutamate receptor kainate 2" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 1" "Ion channel" "P22756" "Grik1" "GRIK1_RAT" 7.15 "Ki" "Displacement of [3H]SYM2081 from rat recombinant iGluR5" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor 1" "Ion channel" "P19490" "Gria1" "GRIA1_RAT" 6.32 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR1 expressed in Sf9 cells" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor 3" "Ion channel" "P19492" "Gria3" "GRIA3_RAT" 5.7 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR3 expressed in Sf9 cells" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor 4" "Ion channel" "P19493" "Gria4" "GRIA4_RAT" 5.45 "Ki" "Displacement of (R,S)-[5-methyl-3H]AMPA from rat recombinant flop iGluR4 expressed in Sf9 cells" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 4" "Ion channel" "Q01812" "Grik4" "GRIK4_RAT" 8.33 "Ki" "Binding affinity to rat cloned KA1 receptor" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 5" "Ion channel" "Q63273" "Grik5" "GRIK5_RAT" 7.82 "Ki" "Binding affinity to rat cloned KA2 receptor" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate 3" "Ion channel" "P42264" "Grik3" "GRIK3_RAT" 8.42 "Ki" "Displacement of [3H]SYM2081 from rat recombinant iGluR7" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor ionotropic, AMPA" "Ion channel" "P19490|P19491|P19492|P19493" "Gria1|Gria2|Gria3|Gria4" "GRIA1_RAT|GRIA2_RAT|GRIA3_RAT|GRIA4_RAT" 7.53 "Ki" "Displacement of [3H]SYM2081 from kainate receptor in rat brain membrane" "CHEMBL" "=" "Rattus norvegicus" "kainic acid" 3201 "Glutamate receptor ionotropic, kainate" "Ion channel" "P22756|P42260|P42264|Q01812|Q63273" "Grik1|Grik2|Grik3|Grik4|Grik5" "GRIK1_RAT|GRIK2_RAT|GRIK3_RAT|GRIK4_RAT|GRIK5_RAT" 8.37 "IC50" "Compound was evaluated for the inhibition of [3H]-KA binding to Ionotropic glutamate receptor kainate from rat brain synaptic membrane." "CHEMBL" "=" "Rattus norvegicus" "nordefrin" 3203 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.11 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "etoxadrol" 3215 "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" 6.97 "Ki" "Displacement of [3H]TCP from tissue homogenate preparation of whole rat brain minus cerebellum" "CHEMBL" "=" "Rattus norvegicus" "evans blue" 3217 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 5.89 "IC50" "Inhibition of human PTPase 1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "evans blue" 3217 "Tyrosine-protein phosphatase 1" "Enzyme" "P25044" "PTP1" "PTP1_YEAST" 5.92 "IC50" "Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "evans blue" 3217 "Vesicular glutamate transporter 3" "Transporter" "Q7TSF2" "Slc17a8" "VGLU3_RAT" 7.4 "Ki" "Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported." "CHEMBL" "=" "Rattus norvegicus" "evans blue" 3217 "Ectonucleotide pyrophosphatase/phosphodiesterase family member 2" "Enzyme" "Q13822" "ENPP2" "ENPP2_HUMAN" 6.08 "Ki" "Competitive inhibition of human recombinant C-terminal FLAG-tagged autotaxin expressed in baculovirus-infected Sf9 cells assessed as FS-3 hydrolysis by Michaelis-Menten method" "CHEMBL" "=" "Tchem" "Homo sapiens" "evans blue" 3217 "Luciferin 4-monooxygenase" "Unclassified" "P08659" "LUCI_PHOPY" 5.77 "IC50" "Inhibition of Photinus pyralis luciferase" "CHEMBL" "=" "Photinus pyralis" "exisulind" 3219 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 5.217 "Ki" "DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "exisulind" 3219 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6.57 "IC50" "DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde)" "DRUG MATRIX" "=" "Rattus norvegicus" "exisulind" 3219 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 4.859 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "femoxetine" 3220 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.229 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.959 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.119 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.641 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.377 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.036 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.824 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.658 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.328 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.398 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.688 "Ki" "PDSP" "Tclin" "Homo sapiens" "femoxetine" 3220 "Sodium-dependent dopamine transporter" "Transporter" "Q61327" "Slc6a3" "SC6A3_MOUSE" 8.04 "Ki" "Tested in vitro for serotonin(5-HT) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "femoxetine" 3220 "Sodium-dependent noradrenaline transporter" "Transporter" "O55192" "Slc6a2" "SC6A2_MOUSE" 6.92 "Ki" "Tested in vitro for norepinephrine (NE) neuronal uptake inhibition" "CHEMBL" "=" "Mus musculus" "fendosal" 3224 "Plasminogen activator inhibitor 1" "Secreted" "P05121" "SERPINE1" "PAI1_HUMAN" 4.824 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/12152654" "INHIBITOR" "Tchem" "Homo sapiens" "fenoxazoline" 3225 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 8.7 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "fenticlor" 3227 "Uracil-DNA glycosylase" "Enzyme" "P04303" "UNG" "UNG_VACCW" 4.41 "IC50" "Inhibition of Vaccinia virus WR strain processivity factor D4 interaction with A20 protein assessed as inhibition of E9 DNA polymerase-mediated DIG-dUTP incorporation into DNA strand by rapid plate assay" "CHEMBL" "=" "Vaccinia virus (strain Western Reserve)" "fumaric acid" 3229 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 4.72 "IC50" "Inhibition of 2-oxoglutarate-dependent human recombinant HIF PHD2 preincubated for 1 hr" "CHEMBL" "=" "Tclin" "Homo sapiens" "flusalan" 3236 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.8 "IC50" "Ability to induce 50% of maximal effect in rabbit vas deferens expressing Opioid receptor kappa 1" "CHEMBL" "=" "Tclin" "Homo sapiens" "flusalan" 3236 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 8.07 "IC50" "Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1" "CHEMBL" "=" "Mus musculus" "flusalan" 3236 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 7.92 "IC50" "Ability to induce 50% of maximal effect in guinea pig ileum expressing Opioid receptor mu 1" "CHEMBL" "=" "Cavia porcellus" "fosfestrol" 3248 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" "Mechanism of Action; CHEMBL2093866; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200598" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "fospropofol" 3249 "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" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/019627s062lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/019627s062lbl.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "fumagillin" 3253 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 9.2 "IC50" "Inhibitory activity against Methionine aminopeptidase 2" "CHEMBL" "=" "Tchem" "Homo sapiens" "furtrethonium" 3256 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "furtrethonium" 3256 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 4.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "furtrethonium" 3256 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 4.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "furtrethonium" 3256 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.3 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "gabexate" 3257 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 6.37 "IC50" "Inhibition of human uPA using pyro-Glu-Gly-Arg-pNA as substrate assessed as para-nitroaniline release from substrate measured for 5 mins by spectrophotometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gabexate" 3257 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 5.81 "IC50" "Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gabexate" 3257 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.16 "IC50" "Inhibition of human plasma thrombin using pyroGlu-Pro-Arg-pNA-HCl as substrate measured for 5 mins by spectrophotometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gabexate" 3257 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 5.34 "IC50" "Inhibition of purified human factor 10a using Suc-Ile-Glu(gammaPip)-GlyArg-pNa-HCl as substrate measured for 5 mins by spectrophotometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gabexate" 3257 "Tissue-type plasminogen activator" "Enzyme" "P00750" "PLAT" "TPA_HUMAN" 4.81 "IC50" "Inhibition of recombinant human tPA using H-D-Ile-Pro-L-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gabexate" 3257 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" 5.87 "IC50" "Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA-2HCl as substrate measured for 5 mins by spectrophotometric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gabexate" 3257 "Membrane primary amine oxidase" "Enzyme" "O08590" "Aoc3" "AOC3_RAT" 4.57 "Ki" "Inhibitory activity against porcine kidney amine oxidase" "CHEMBL" "=" "Rattus norvegicus" "gabexate" 3257 "Solute carrier family 22 member 2" "Transporter" "O15244" "SLC22A2" "S22A2_HUMAN" 6.05 "IC50" "Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gabexate" 3257 "Multidrug and toxin extrusion protein 1" "Transporter" "Q96FL8" "SLC47A1" "S47A1_HUMAN" 6.3 "IC50" "Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gabexate" 3257 "Multidrug and toxin extrusion protein 2" "Transporter" "Q86VL8" "SLC47A2" "S47A2_HUMAN" 4.97 "IC50" "Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "gabexate" 3257 "Tryptase alpha/beta-1" "Enzyme" "Q15661" "TPSAB1" "TRYB1_HUMAN" 8.47 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "gabexate" 3257 "Serine protease hepsin" "Enzyme" "P05981" "HPN" "HEPS_HUMAN" 6.42 "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" "gentisic acid" 3260 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.39 "Ki" "Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gentisic acid" 3260 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.38 "Ki" "Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gentisic acid" 3260 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.18 "Ki" "Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gentisic acid" 3260 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.14 "Ki" "Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gentisic acid" 3260 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.12 "IC50" "Inhibition of human recombinant 5-lipoxygenase after 10 mins by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gentisic acid" 3260 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.17 "Ki" "Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gentisic acid" 3260 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.17 "Ki" "Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hexamidine" 3275 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 4.84 "Ki" "compound was tested for inhibitory activity against Urokinase-type plasminogen activator (microPa)" "CHEMBL" "=" "Tchem" "Homo sapiens" "hexamidine" 3275 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 6.65 "Ki" "compound was tested for inhibitory activity against Thrombin" "CHEMBL" "=" "Tclin" "Homo sapiens" "hexamidine" 3275 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 5.57 "Ki" "Inhibition of trypsin by amidase assay." "CHEMBL" "=" "Tclin" "Homo sapiens" "hexamidine" 3275 "Suppressor of tumorigenicity 14 protein" "Enzyme" "Q9Y5Y6" "ST14" "ST14_HUMAN" 6.03 "Ki" "compound was tested for inhibitory activity against Matriptase" "CHEMBL" "=" "Tchem" "Homo sapiens" "hexamidine" 3275 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 4.28 "IC50" "Inhibition of PRMT1 (unknown origin) assessed as reduction in methyl transfer from [3H]-SAM to biotinylated histone H4 peptide H4-20-Biotin at 10 uM pre-incubated for 3 mins before [3H]-SAM addition and measured after 15 mins by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.05 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.97 "Ki" "Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.97 "Ki" "Inhibition of human carbonic anhydrase 4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.49 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.11 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 4.85 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.9 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.09 "Ki" "Inhibition of human carbonic anhydrase 3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.38 "Ki" "Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydroquinone" 3282 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.13 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "hydroquinone" 3282 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 8.91 "Ki" "Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Electrophorus electricus" "hydroquinone" 3282 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 5.01 "IC50" "Inhibition of mushroom tyrosinase activity after 20 mins" "CHEMBL" "=" "Agaricus bisporus" "hydroquinone" 3282 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.97 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "hydroquinone" 3282 "Carbonic anhydrase" "Enzyme" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.23 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "Dicentrarchus labrax" "oxyquinoline" 3290 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 3.89 "IC50" "Inhibition of human recombinant MMP2 after 30 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "oxyquinoline" 3290 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 5.8 "IC50" "Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in presence of SAM by MTase glo methyltransferase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxyquinoline" 3290 "Methionine aminopeptidase 2" "Enzyme" "P50579" "METAP2" "MAP2_HUMAN" 5.69 "IC50" "Inhibition of human methionine aminopeptidase 2" "CHEMBL" "=" "Tchem" "Homo sapiens" "oxyquinoline" 3290 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 4.67 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "oxyquinoline" 3290 "Methionine aminopeptidase 1" "Enzyme" "P53582" "METAP1" "MAP11_HUMAN" 4.67 "IC50" "Inhibition of human MetAP1" "CHEMBL" "=" "Tchem" "Homo sapiens" "oxyquinoline" 3290 "Bacterial leucyl aminopeptidase" "Enzyme" "Q01693" "AMPX_VIBPR" 6.8 "Ki" "CHEMBL" "=" "Vibrio proteolyticus" "ibufenac" 3293 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 5.26 "IC50" "Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubated for 3 mins before 2-arachidonoylglycerol addition measured after 30 seconds" "CHEMBL" "=" "Mus musculus" "iloperidone" 3294 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.67 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 8.969 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "ANTAGONIST" "Tclin" "Homo sapiens" "iloperidone" 3294 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.79 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.19 "IC50" "Binding affinity against sigma receptor using [3H]-( +)-SKF10,047 radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.83 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.181 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.859 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL14376" "ANTAGONIST" "Tclin" "Homo sapiens" "iloperidone" 3294 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.227 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.37 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "iloperidone" 3294 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.66 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.44 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.79 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.15 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 6.496 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "iloperidone" 3294 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.91 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.31 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.48 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.08 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.05 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.824 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 7.79 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.53 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "iloperidone" 3294 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.6 "Ki" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "iloperidone" 3294 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 5.03 "Ki" "PDSP" "Tclin" "Homo sapiens" "iloperidone" 3294 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.96 "IC50" "Affinity for dopamine receptor D2 binding sites by its ability to displace [3H]spiperone from rat striatum." "CHEMBL" "=" "Rattus norvegicus" "iloperidone" 3294 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.8 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "iloperidone" 3294 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "iloperidone" 3294 "Alpha-2A adrenergic receptor" "GPCR" "P22909" "Adra2a" "ADA2A_RAT" 9.4 "IC50" "Binding affinity against Alpha-1 adrenergic receptor was determined using [3H]WB-4101 radioligand" "CHEMBL" "=" "Rattus norvegicus" "iloperidone" 3294 "5-hydroxytryptamine receptor 1A" "GPCR" "Q64264" "Htr1a" "5HT1A_MOUSE" 6.68 "IC50" "Binding affinity against 5-hydroxytryptamine 1A receptor was determined using [3H]-8-OH-DPAT radioligand" "CHEMBL" "=" "Mus musculus" "iloperidone" 3294 "D(1A) dopamine receptor" "GPCR" "Q61616" "Drd1" "DRD1_MOUSE" 6.12 "IC50" "Binding affinity against Dopamine receptor D1 was determined using [3H]SCH-23390 radioligand" "CHEMBL" "=" "Mus musculus" "iloperidone" 3294 "5-hydroxytryptamine receptor 2A" "GPCR" "Q75Z89" "HTR2A" "5HT2A_BOVIN" 8.05 "IC50" "Binding affinity against 5-hydroxytryptamine 2 receptor was determined using [ [3H]spiperone radioligand" "CHEMBL" "=" "Bos taurus" "iloperidone" 3294 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "iloperidone" 3294 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 8.05 "IC50" "Affinity for 5-hydroxytryptamine 2 receptor binding sites by its ability to displace [3H]spiperone from rat frontal cortex." "CHEMBL" "=" "Rattus norvegicus" "isoconazole" 3309 "Steroid 17-alpha-hydroxylase/17,20 lyase" "Enzyme" "P05093" "CYP17A1" "CP17A_HUMAN" 6.21 "Ki" "In vitro inhibition of human Cytochrome P450 17A1 activity" "CHEMBL" "=" "Tclin" "Homo sapiens" "isoconazole" 3309 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.64 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" "Ion channel" "Q9Y3Q4" "HCN4" "HCN4_HUMAN" 5.37 "EC50" "Blockade of human HCN4 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O88704" "Hcn1" "HCN1_MOUSE" 5.35 "EC50" "Blockade of mouse HCN1 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay" "CHEMBL" "=" "Mus musculus" "ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" "Ion channel" "O88703" "Hcn2" "HCN2_MOUSE" 5.34 "EC50" "Blockade of mouse HCN2 expressed in HEK293 cells at -120 f-current amplitude by patch-clamp electrophysiological assay" "CHEMBL" "=" "Mus musculus" "ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1" "Ion channel" "O60741" "HCN1" "HCN1_HUMAN" 5.7 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206143Orig1s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" "ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2" "Ion channel" "Q9UL51" "HCN2" "HCN2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206143Orig1s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" "ivabradine" 3312 "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3" "Ion channel" "Q9P1Z3" "HCN3" "HCN3_HUMAN" 5.7 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206143Orig1s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" "khellin" 3313 "Cytochrome P450 1A1" "Enzyme" "P04798" "CYP1A1" "CP1A1_HUMAN" 5.42 "Ki" "Inhibition of human recombinant CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin substrate preincubated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay relative to control" "CHEMBL" "=" "Tchem" "Homo sapiens" "lenalidomide" 3317 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 7.886 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "lenalidomide" 3317 "Cereblon isoform 4" "Unclassified" "A4TVL0" "A4TVL0_9PROT" 5.51 "Ki" "Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay" "CHEMBL" "=" "Magnetospirillum gryphiswaldense" "lenalidomide" 3317 "Cereblon isoform 4" "Unclassified" "A4TVL0" "A4TVL0_9PROT" 5.51 "Ki" "Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay" "CHEMBL" "=" "Magnetospirillum gryphiswaldense" "lenalidomide" 3317 "Protein cereblon" "Cytosolic other" "Q96SW2" "CRBN" "CRBN_HUMAN" 6.527 "EC50" "competitive titration of thalidomide with human DDB1-human CRBN (50 nM) and Cy5-thalidomide (20 nM)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25043012" "https://pubmed.ncbi.nlm.nih.gov/26131937" "MODULATOR" "Tclin" "Homo sapiens" "linoleic acid" 3323 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.89 "IC50" "Inhibition of COX1" "CHEMBL" "=" "Tclin" "Homo sapiens" "linoleic acid" 3323 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.32 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "Tclin" "Homo sapiens" "linoleic acid" 3323 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 8.32 "Kd" "Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "linoleic acid" 3323 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.21 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "linoleic acid" 3323 "Fatty acid-binding protein, adipocyte" "Cytosolic other" "P15090" "FABP4" "FABP4_HUMAN" 6 "IC50" "Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to linoleic acid" "CHEMBL" "=" "Tchem" "Homo sapiens" "linoleic acid" 3323 "Fatty acid-binding protein, heart" "Cytosolic other" "P05413" "FABP3" "FABPH_HUMAN" 9.7 "Kd" "Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "linoleic acid" 3323 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "linoleic acid" 3323 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.7 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "linoleic acid" 3323 "Potassium voltage-gated channel subfamily B member 1" "Ion channel" "Q14721" "KCNB1" "KCNB1_HUMAN" 5.6 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "linoleic acid" 3323 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 4.19 "IC50" "Displacement of [3H]DPCPX from rat adenosine A1 receptor by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "linoleic acid" 3323 "Seed linoleate 13S-lipoxygenase-1" "Enzyme" "P08170" "LOX1.1" "LOX1_SOYBN" 6 "IC50" "Allosteric inhibition of soybean LO1" "CHEMBL" "=" "Glycine max" "linoleic acid" 3323 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.39 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "Tchem" "Homo sapiens" "linoleic acid" 3323 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 4.03 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "Ovis aries" "linoleic acid" 3323 "Free fatty acid receptor 4" "GPCR" "Q5NUL3" "FFAR4" "FFAR4_HUMAN" 5.89 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "lodoxamide" 3325 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 8.793 "EC50" "GPR35a–beta-arrestin-2 interaction assays performed using a CHO–K1 cell line stably expressing human GPR35 and beta-arrestin-2" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24113750" "AGONIST" "Tchem" "Homo sapiens" "lubeluzole" 3328 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 6.59 "IC50" "In vitro inhibition of [14C]- guanidinium influx in Chinese hamster ovary (CHO) cells expressing rat brain sodium channel type IIA (CNaIIA-1)" "CHEMBL" "=" "Rattus norvegicus" "lubeluzole" 3328 "Calmodulin" "Cytosolic other" "P62157" "CALM" "CALM_BOVIN" 5.54 "Kd" "Binding affinity to bovine brain CaM by FTPFACE analysis" "CHEMBL" "=" "Bos taurus" "mestanolone" 3341 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01533" "AGONIST" "Tclin" "Homo sapiens" "mestanolone" 3341 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.81 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "mesterolone" 3342 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.6 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "mesterolone" 3342 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.74 "IC50" "Displacement of fluormone-AL Green from recombinant rat His-tagged/GST-fused androgen receptor LBD expressed in baculovirus expression system measured after 1.5 hrs by fluorescence polarization assay" "CHEMBL" "=" "Rattus norvegicus" "methionine" 3347 "S-ribosylhomocysteine lyase" "Unclassified" "O34667" "luxS" "LUXS_BACSU" 4.21 "Ki" "Inhibition of cobalt substituted Bacillus subtilis LuxS" "CHEMBL" "=" "Bacillus subtilis (strain 168)" "methyltestosterone" 3356 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.077 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "methyltestosterone" 3356 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.66 "EC50" "22Rv1 human prostate cells transfected with hAR and luciferase reporter plasmid driven by the androgen response element." "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1395" "AGONIST" "Tclin" "Homo sapiens" "methyltestosterone" 3356 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 8.43 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "methyltestosterone" 3356 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.8 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "methyltestosterone" 3356 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.481 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "mitoguazone" 3362 "S-adenosylmethionine decarboxylase proenzyme" "Enzyme" "P17708" "Amd1" "DCAM_RAT" 6 "IC50" "Inhibitory concentration of compound against S-Adenosyl-methionine decarboxylase (SAMDC) from rat liver" "CHEMBL" "=" "Rattus norvegicus" "mitoguazone" 3362 "Amiloride-sensitive amine oxidase [copper-containing]" "Enzyme" "P36633" "Aoc1" "AOC1_RAT" 5.82 "IC50" "In vitro inhibition of Diamine oxidase (DAO) from rat small intestine." "CHEMBL" "=" "Rattus norvegicus" "moxestrol" 3366 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" 8.6 "IC50" "Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "naphazoline" 3369 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.68 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "AGONIST" "Tclin" "Homo sapiens" "naphazoline" 3369 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.39 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "AGONIST" "Tclin" "Homo sapiens" "naphazoline" 3369 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.39 "Ki" "PDSP" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL761" "AGONIST" "Tclin" "Homo sapiens" "naphazoline" 3369 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 6.92 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "naphazoline" 3369 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 6.61 "Ki" "Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 cells" "CHEMBL" "=" "Rattus norvegicus" "naphazoline" 3369 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.24 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "naphazoline" 3369 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 7.92 "EC50" "Compound was evaluated for Adrenergic activity against Alpha-1 adrenergic receptor from rat aorta" "CHEMBL" "=" "Rattus norvegicus" "naphazoline" 3369 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1b|Adra2b|Adra2c|Adra2a|Adra1d|Adra1a" "ADA1B_RAT|ADA2B_RAT|ADA2C_RAT|ADA2A_RAT|ADA1D_RAT|ADA1A_RAT" 8.24 "Ki" "Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "neridronic acid" 3377 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 7.2 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "nifenalol" 3380 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 5.88 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "octopamine" 3396 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.62 "EC50" "Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "octopamine" 3396 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.8 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "octopamine" 3396 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 5.9 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "octopamine" 3396 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 5.8 "EC50" "IUPHAR" "=" "AGONIST" "Mus musculus" "octopamine" 3396 "TyR1" "GPCR" "H9TVJ1" "H9TVJ1_9NEOP" 6.01 "EC50" "Agonist activity at Chilo suppressalis (rice stem borer) tyramine receptor TyR1 expressed in HEK293 cells assessed as reduction in forskolin-induced cAMP accumulation incubated for 20 min" "CHEMBL" "=" "Chilo suppressalis" "oleandrin" 3399 "Neurogenic locus notch homolog protein 1" "Unclassified" "Q01705" "Notch1" "NOTC1_MOUSE" 6.92 "IC50" "Inhibition of recombinant mouse N-terminal FLAG-tagged Notch1 (1704 to 2531 residues) expressed in human LS174T cells assessed as reduction in doxycycline-induced NICD expression after 12 hrs by Bright-Glo luciferase reporter gene assay" "CHEMBL" "=" "Mus musculus" "oleic acid" 3400 "Fatty-acid amide hydrolase 1" "Enzyme" "O00519" "FAAH" "FAAH1_HUMAN" 5.22 "Ki" "Inhibition of FAAH" "CHEMBL" "=" "Tchem" "Homo sapiens" "oleic acid" 3400 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.49 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "Tclin" "Homo sapiens" "oleic acid" 3400 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 6.22 "IC50" "Inhibition of PPAR-alpha (unknown origin) by SPA assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "oleic acid" 3400 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.39 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "oleic acid" 3400 "Fatty acid-binding protein, adipocyte" "Cytosolic other" "P15090" "FABP4" "FABP4_HUMAN" 6.73 "Ki" "Displacement of 1,8-ANS from aFABP by fluorescence based-assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "oleic acid" 3400 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.51 "IC50" "Inhibition of DNA topoisomerase 1" "CHEMBL" "=" "Tclin" "Homo sapiens" "oleic acid" 3400 "Telomerase reverse transcriptase" "Enzyme" "O14746" "TERT" "TERT_HUMAN" 5.07 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "oleic acid" 3400 "Fatty acid-binding protein, epidermal" "Cytosolic other" "Q01469" "FABP5" "FABP5_HUMAN" 6.61 "Ki" "Displacement of 1,8-ANS from eFABP by fluorescence based-assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "oleic acid" 3400 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.28 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "oleic acid" 3400 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.7 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "oleic acid" 3400 "Fatty acid-binding protein, liver" "Unclassified" "P07148" "FABP1" "FABPL_HUMAN" 6.7 "Kd" "Binding affinity to L-FABP high binding affinity site by titration calorimetry method" "CHEMBL" "=" "Tchem" "Homo sapiens" "oleic acid" 3400 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 6.74 "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" "oleic acid" 3400 "Seed linoleate 13S-lipoxygenase-1" "Enzyme" "P08170" "LOX1.1" "LOX1_SOYBN" 4.66 "Ki" "Binding affinity to soybean LO1" "CHEMBL" "=" "Glycine max" "oleic acid" 3400 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.1 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "Tchem" "Homo sapiens" "oleic acid" 3400 "Free fatty acid receptor 4" "GPCR" "Q5NUL3" "FFAR4" "FFAR4_HUMAN" 4.7 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "ornithine" 3401 "G-protein coupled receptor family C group 6 member A" "GPCR" "Q5T6X5" "GPRC6A" "GPC6A_HUMAN" 4 "EC50" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "oxetacaine" 3407 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.64 "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" "oxiconazole" 3408 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.684 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.815 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7.046 "IC50" "DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 6.372 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.723 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.497 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.925 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.533 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.778 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.169 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.943 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.018 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.449 "Ki" "DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.218 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.676 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "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" "oxiconazole" 3408 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.445 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "oxiconazole" 3408 "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/CHEMBL1262" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "oxiconazole" 3408 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 5.728 "Ki" "DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.333 "IC50" "DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "oxiconazole" 3408 "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" "oxiconazole" 3408 "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" "oxiconazole" 3408 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.209 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "oxiconazole" 3408 "Indoleamine 2,3-dioxygenase 1" "Enzyme" "P14902" "IDO1" "I23O1_HUMAN" 4.55 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "oxiconazole" 3408 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.969 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "oxiconazole" 3408 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.25 "IC50" "CHEMBL" "=" "Rattus norvegicus" "oxybenzone" 3412 "Hormone-sensitive lipase" "Enzyme" "P15304" "Lipe" "LIPS_RAT" 5.49 "IC50" "Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay" "CHEMBL" "=" "Rattus norvegicus" "oxycinchophen" 3413 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 4.92 "IC50" "Inhibition of human recombinant DHOD expressed in Escherichia coli" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxycinchophen" 3413 "cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A" "Enzyme" "Q9Y233" "PDE10A" "PDE10_HUMAN" 4.82 "Kd" "Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "pentazocine" 3424 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.409 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pentazocine" 3424 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 8.76 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL560" "MODULATOR" "Tclin" "Homo sapiens" "pentazocine" 3424 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 8.658 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pentazocine" 3424 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.307 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "pentazocine" 3424 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 8.16 "Ki" "Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radioligand" "CHEMBL" "=" "Rattus norvegicus" "pentazocine" 3424 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.12 "Ki" "Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC as radioligand" "CHEMBL" "=" "Cavia porcellus" "pentazocine" 3424 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.92 "Ki" "Displacement of (+)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cerebral membrane after 90 mins by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "pentazocine" 3424 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 8.27 "Ki" "Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 120 mins by scintillation counting method" "CHEMBL" "=" "Cavia porcellus" "pentazocine" 3424 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 7.9 "IC50" "Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl" "CHEMBL" "=" "Rattus norvegicus" "phenacaine" 3434 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.77 "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" "picloxydine" 3467 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 4.66 "Ki" "Competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins" "CHEMBL" "=" "Electrophorus electricus" "picloxydine" 3467 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 6.21 "Ki" "Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 mins followed by substrate addition measured every 1 min for 30 mins" "CHEMBL" "=" "Equus caballus" "adipic acid" 3474 "Solute carrier family 22 member 6" "Transporter" "Q8VC69" "Slc22a6" "S22A6_MOUSE" 6.39 "Ki" "Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "podophyllotoxin" 3481 "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" "podophyllotoxin" 3481 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 7.85 "IC50" "Inhibition of human glucocorticoid receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "podophyllotoxin" 3481 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.398 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "podophyllotoxin" 3481 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" 5.301 "IC50" "DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "podophyllotoxin" 3481 "Regulatory protein E2" "Unclassified" "P04015" "E2" "VE2_HPV11" 4.7 "Kd" "Binding affinity to HPV11 recombinant E2 protein by surface plasmon resonance method" "CHEMBL" "=" "Human papillomavirus type 11" "podophyllotoxin" 3481 "Tubulin alpha-1A chain" "Structural" "P02550" "TUBA1A" "TBA1A_PIG" 6.34 "IC50" "Inhibition of tubulin polymerization. (ITP)" "CHEMBL" "=" "Sus scrofa" "podophyllotoxin" 3481 "Regulatory protein E2" "Unclassified" "P03118" "E2" "VE2_HPV1A" 5.98 "Kd" "Binding affinity to HPV1a recombinant E2 protein hinge domain by surface plasmon resonance assay" "CHEMBL" "=" "Human papillomavirus type 1a" "podophyllotoxin" 3481 "Tubulin" "Structural" "P04350|P07437|P68363|P68366|P68371|Q13509|Q13748|Q13885|Q3ZCM7|Q6PEY2|Q71U36|Q9BQE3|Q9BUF5|Q9BVA1|Q9H4B7" "TUBB4A|TUBB|TUBA1B|TUBA4A|TUBB4B|TUBB3|TUBA3C|TUBB2A|TUBB8|TUBA3E|TUBA1A|TUBA1C|TUBB6|TUBB2B|TUBB1" "TBB4A_HUMAN|TBB5_HUMAN|TBA1B_HUMAN|TBA4A_HUMAN|TBB4B_HUMAN|TBB3_HUMAN|TBA3C_HUMAN|TBB2A_HUMAN|TBB8_HUMAN|TBA3E_HUMAN|TBA1A_HUMAN|TBA1C_HUMAN|TBB6_HUMAN|TBB2B_HUMAN|TBB1_HUMAN" 6 "IC50" "In vitro inhibition of mammalian tubulin polymerization by 50%" "CHEMBL" "=" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "podophyllotoxin" 3481 "Tubulin" "Structural" "Q6B856|Q862F3|Q862L2" "TUBB2B" "TBB2B_BOVIN|Q862F3_BOVIN|Q862L2_BOVIN" 6.34 "IC50" "Inhibition of bovine brain tubulin polymerization (ITP)." "CHEMBL" "=" "Bos taurus" "podophyllotoxin" 3481 "Tubulin" "Structural" "P02550|P02554" "TUBA1A" "TBA1A_PIG|TBB_PIG" 5.66 "Ki" "Binding affinity against tubulin using [3H]colchicine as radioligand" "CHEMBL" "=" "Sus scrofa" "podophyllotoxin" 3481 "Human papillomavirus regulatory protein E2" "Unclassified" "P03120" "E2" "VE2_HPV16" 4.15 "Kd" "Binding affinity to HPV16 recombinant E2 protein by surface plasmon resonance method" "CHEMBL" "=" "Human papillomavirus type 16" "polyestradiol phosphate" 3482 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201477" "AGONIST" "Tclin" "Homo sapiens" "posaconazole" 3483 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "posaconazole" 3483 "Lanosterol 14-alpha demethylase" "Enzyme" "P10613" "ERG11" "CP51_CANAL" 9.398 "MIC" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1397" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "posaconazole" 3483 "14-alpha sterol demethylase Cyp51A" "Enzyme" "Q4WNT5" "Q4WNT5_ASPFU" 5.57 "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)" "posaconazole" 3483 "14-alpha sterol demethylase" "Enzyme" "Q96W81" "cyp51B" "Q96W81_ASPFM" 7.14 "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" "posaconazole" 3483 "Sterol 14-alpha demethylase" "Enzyme" "Q7Z1V1" "CYP51" "CP51_TRYCC" 7.32 "IC50" "Inhibition of recombinant Trypanosoma cruzi Tulahuen CYP51 expressed in Escherichia coli JM109 cell membranes assessed as inhibition of microbe growth by fluorescence based analysis" "CHEMBL" "=" "Trypanosoma cruzi (strain CL Brener)" "posaconazole" 3483 "7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase" "Enzyme" "Q9UNU6" "CYP8B1" "CP8B1_HUMAN" 5.42 "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" "practolol" 3486 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.8 "Ki" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=555" "ANTAGONIST" "Tclin" "Homo sapiens" "practolol" 3486 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 5.8 "Kd" "Ability to block Beta-2 adrenergic receptor in guinea pig trachea preparation" "CHEMBL" "=" "Cavia porcellus" "practolol" 3486 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 4.69 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "practolol" 3486 "Beta-1 adrenergic receptor" "GPCR" "P18090" "Adrb1" "ADRB1_RAT" 6.47 "Kd" "Antagonist activity at beta1 adrenergic receptor in isolated rat atria" "CHEMBL" "=" "Rattus norvegicus" "practolol" 3486 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 6.98 "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" "practolol" 3486 "Beta-2 adrenergic receptor" "GPCR" "P18762" "Adrb2" "ADRB2_MOUSE" 4.87 "Ki" "Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2)." "CHEMBL" "=" "Mus musculus" "pramocaine" 3487 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 7.292 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "pramocaine" 3487 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 6.199 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "pramocaine" 3487 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.67 "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" "propamidine" 3493 "Trypsin-1" "Enzyme" "P07477" "PRSS1" "TRY1_HUMAN" 5.48 "Ki" "Inhibition of trypsin by amidase assay." "CHEMBL" "=" "Tclin" "Homo sapiens" "propamidine" 3493 "Acrosin" "Enzyme" "P08001" "ACR" "ACRO_PIG" 5.46 "Ki" "Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis" "CHEMBL" "=" "Sus scrofa" "propoxycaine" 3496 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.62 "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" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1195" "BLOCKER" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "protoporphyrin" 3500 "Zinc finger protein mex-5" "Cytosolic other" "Q9XUB2" "mex-5" "MEX5_CAEEL" 5.05 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "protoporphyrin" 3500 "Cytoplasmic zinc-finger protein" "Unclassified" "G5EF15" "pos-1" "G5EF15_CAEEL" 5 "EC50" "Active" "CHEMBL" "=" "Caenorhabditis elegans" "prucalopride" 3502 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.629 "Ki" "PDSP" "Tchem" "Homo sapiens" "prucalopride" 3502 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 5.4 "Ki" "Binding affinity at 5HT3 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "prucalopride" 3502 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 7.58 "EC50" "Agonist activity at rat 5HT4e receptor expressed in HEK293 cells assessed as cAMP level after 30 mins by HTRF assay" "CHEMBL" "=" "Rattus norvegicus" "prucalopride" 3502 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 8.6 "Ki" "Binding affinity at 5HT4 receptor" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/001012/WC500053998.pdf" "AGONIST" "Tclin" "Homo sapiens" "homonicotinic acid" 3505 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 5.3 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "pyridoxal phosphate" 3506 "P2X purinoceptor 1" "Ion channel" "P51575" "P2RX1" "P2RX1_HUMAN" 5 "IC50" "Antagonist activity at P2X1 receptor (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.21 "Ki" "Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.76 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.27 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.29 "Ki" "Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.45 "Ki" "Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.11 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.79 "Ki" "Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.62 "Ki" "Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.54 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.38 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione" 3508 "FAD-linked sulfhydryl oxidase ALR" "Enzyme" "P55789" "GFER" "ALR_HUMAN" 6.36 "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" "pyrithione" 3508 "Protein-lysine 6-oxidase" "Enzyme" "P28300" "LOX" "LYOX_HUMAN" 4.48 "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" "pyrithione" 3508 "Lysyl oxidase homolog 3" "Enzyme" "P58215" "LOXL3" "LOXL3_HUMAN" 4.92 "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" "pyrithione" 3508 "Lysyl oxidase homolog 4" "Enzyme" "Q96JB6" "LOXL4" "LOXL4_HUMAN" 4.82 "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" "pyrithione" 3508 "Lysyl oxidase homolog 2" "Enzyme" "Q9Y4K0" "LOXL2" "LOXL2_HUMAN" 4.75 "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" "pyrovalerone" 3511 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.42 "Ki" "Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrovalerone" 3511 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.71 "Ki" "Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrovalerone" 3511 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 8.1 "Ki" "Displacement of [3H]WIN-35428 from human dopamine transporter expressed in mouse N2A cells by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 4.54 "IC50" "Inhibition of human recombinant COX2 expressed in insect Sf21 cells by EIA assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Urokinase-type plasminogen activator" "Enzyme" "P00749" "PLAU" "UROK_HUMAN" 4.92 "IC50" "Inhibition of urokinase amidolytic activity (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 5.15 "Kd" "Binding affinity to ABCB1 nucleotide binding domain 2" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 4.52 "Ki" "Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed in HEK293 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 5.11 "Ki" "Binding affinity to dopamine D4 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.6 "Ki" "Inhibition of human CA2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.62 "Ki" "Inhibition of MRP1 transfected in human HeLa cells assessed as inhibition of [3H]LTC4 transport by rapid filtration assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.16 "IC50" "Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.57 "Ki" "Inhibition of human CA1 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.46 "IC50" "Fluorescent High Throughput P450 Assay: 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). 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. Concentration-response curves performed in duplicate for known i" "CHEMBL" "=" "Tbio" "Homo sapiens" "quercetin" 3514 "Calmodulin" "Cytosolic other" "P0DP23|P0DP24|P0DP25" "CALM1|CALM2|CALM3" "CALM1_HUMAN|CALM2_HUMAN|CALM3_HUMAN" 4.89 "IC50" "Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrophotometric analysis" "CHEMBL" "=" "Tclin|Tclin|Tclin" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.1 "Ki" "Inhibition of human CA4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 5.4 "IC50" "Inhibitory activity against Amp C beta-Lactamase" "CHEMBL" "=" "Escherichia coli (strain K12)" "quercetin" 3514 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.42 "Ki" "Inhibition of human recombinant AChE by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 4.05 "IC50" "Inhibition of human MAOB" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 4.17 "Ki" "Inhibition of human plasma BChE by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 5.58 "IC50" "Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.55 "IC50" "Inhibition of human MAOA" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 7.83 "IC50" "Inhibition of cataracted human eye lens aldose reductase" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.15 "Ki" "Inhibition of human CA9 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 7.92 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.03 "Ki" "Inhibition of human CA12 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 6.1 "IC50" "Inhibition of 5LOX in human PBMC by EIA assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 7.41 "Kd" "Inhibition of human thrombin assessed as equilibrium dissociation constant at 50 to 1000 uM by BIAcore analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.05 "IC50" "Inhibition of EGFR" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Vasopressin V2 receptor" "GPCR" "P30518" "AVPR2" "V2R_HUMAN" 5.2 "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" "quercetin" 3514 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.17 "Ki" "Inhibition of human CA5A by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 4.92 "Ki" "Inhibition of human CA5B by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.32 "Ki" "Inhibition of human CA7 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 4.63 "IC50" "The inhibitory activity tested against human Protein-tyrosine phosphatase 1B enzyme" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.92 "IC50" "Inhibition of SRC (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.89 "IC50" "Ability to inhibit protein-tyrosine kinase activity of p56lck (isolated from bovine thymus) in vitro." "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.12 "IC50" "Inhibition of B-Raf V600E mutant (unknown origin) using fluorescein-MAP2K1 as substrate after 1 hr by electrophoretic assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.23 "IC50" "Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 4.11 "IC50" "Inhibition of wild type recombinant human RET using peptide as substrate by fluorimetric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.55 "IC50" "Inhibition of VEGFR2 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 4.49 "IC50" "Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Myeloperoxidase" "Enzyme" "P05164" "MPO" "PERM_HUMAN" 5.9 "IC50" "Inhibition of myeloperoxidase" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "72 kDa type IV collagenase" "Enzyme" "P08253" "MMP2" "MMP2_HUMAN" 5.18 "IC50" "Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Cyclin-dependent kinase 1" "Kinase" "P06493" "CDK1" "CDK1_HUMAN" 6.35 "IC50" "Inhibition of CDK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 4.4 "IC50" "Inhibition of CDK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 7.6 "Kd" "Binding affinity to non phosphorylated PIM1" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 6.52 "IC50" "Inhibition of IGF1R (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Lactoylglutathione lyase" "Enzyme" "Q04760" "GLO1" "LGUL_HUMAN" 5.49 "IC50" "Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Alpha-amylase 1" "Enzyme" "P04745" "AMY1A" "AMY1_HUMAN" 4.67 "IC50" "Inhibition of human salivary alpha-amylase" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Neutrophil elastase" "Enzyme" "P08246" "ELANE" "ELNE_HUMAN" 4.92 "Ki" "Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciprocal Lineweaver-Burk plot analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 5.92 "IC50" "Inhibition of FAK (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Arachidonate 15-lipoxygenase" "Enzyme" "P16050" "ALOX15" "LOX15_HUMAN" 5.66 "IC50" "Inhibition of 15-hLO1" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.09 "Ki" "Inhibition of human CA3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Stromelysin-1" "Enzyme" "P08254" "MMP3" "MMP3_HUMAN" 5.25 "IC50" "Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Serine/threonine-protein kinase PLK1" "Kinase" "P53350" "PLK1" "PLK1_HUMAN" 5.24 "IC50" "Inhibition of PLK1 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.21 "Ki" "Inhibition of human CA6 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Estradiol 17-beta-dehydrogenase 2" "Enzyme" "P37059" "HSD17B2" "DHB2_HUMAN" 5.81 "IC50" "Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 4.7 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Prolyl endopeptidase" "Enzyme" "P48147" "PREP" "PPCE_HUMAN" 4.89 "IC50" "Inhibition of human brain prolyl oligopeptidase expressed in Escherichia coli" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Arachidonate 12-lipoxygenase, 12S-type" "Enzyme" "P18054" "ALOX12" "LOX12_HUMAN" 6.36 "IC50" "Inhibition of 12-hLO" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.24 "IC50" "Inhibition of wild type MET (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 5.24 "IC50" "Inhibition of NEK2 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.27 "Ki" "Inhibition of human CA14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 5.52 "IC50" "Inhibition of CAMK2 using autocamtide-2 as substrate after 30 mins by PKLight assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Matrix metalloproteinase-9" "Enzyme" "P14780" "MMP9" "MMP9_HUMAN" 5.79 "IC50" "Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 5.24 "IC50" "Inhibition of PRK1 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Phospholipase A2" "Enzyme" "P04054" "PLA2G1B" "PA21B_HUMAN" 5.7 "IC50" "Inhibition of phospholipase A2" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.48 "IC50" "Inhibition of ALK (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 5.27 "IC50" "Inhibition of AKT1 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Macrophage metalloelastase" "Enzyme" "P39900" "MMP12" "MMP12_HUMAN" 4.99 "IC50" "Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Collagenase 3" "Enzyme" "P45452" "MMP13" "MMP13_HUMAN" 5.07 "IC50" "Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Chymotrypsinogen B" "Enzyme" "P17538" "CTRB1" "CTRB1_HUMAN" 4 "IC50" "Inhibitory activity against Chymotrypsinogen from Thermus flavus" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Beta-secretase 1" "Enzyme" "P56817" "BACE1" "BACE1_HUMAN" 4.85 "Ki" "Noncompetitive inhibition of human recombinant BACE1 after 60 mins by Dixon plot analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 5.7 "IC50" "Inhibition of Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P50578" "AKR1A1" "AK1A1_PIG" 4.42 "IC50" "Inhibition of pig ALR1" "CHEMBL" "=" "Sus scrofa" "quercetin" 3514 "Aldose reductase" "Enzyme" "P80276" "AKR1B1" "ALDR_PIG" 4.3 "IC50" "Inhibition of pig lens aldose reductase by spectrophotometry" "CHEMBL" "=" "Sus scrofa" "quercetin" 3514 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 4.47 "IC50" "Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Glycogen phosphorylase, liver form" "Enzyme" "P06737" "PYGL" "PYGL_HUMAN" 5.32 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Lysine--tRNA ligase" "Enzyme" "Q15046" "KARS" "SYK_HUMAN" 4.7 "IC50" "Inhibition of SYK" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Cationic trypsin" "Enzyme" "P00760" "TRY1_BOVIN" 5.15 "IC50" "Inhibitory concentration of the compounds against Bovine trypsin enzyme." "CHEMBL" "=" "Bos taurus" "quercetin" 3514 "Xanthine dehydrogenase/oxidase" "Enzyme" "P80457" "XDH" "XDH_BOVIN" 5.92 "Ki" "Inhibition of bovine xanthine oxidase" "CHEMBL" "=" "Bos taurus" "quercetin" 3514 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6 "IC50" "In vitro inhibitory activity against L-Hexonate Dehydrogenase from rat kidney" "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.37 "IC50" "Inhibition of 15LOX in rabbit reticulocytes by EIA assay" "CHEMBL" "=" "Oryctolagus cuniculus" "quercetin" 3514 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 5 "IC50" "Inhibition of CCL22-stimulated CCR4 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" "quercetin" 3514 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 6.22 "IC50" "Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay" "CHEMBL" "=" "Human immunodeficiency virus 1" "quercetin" 3514 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.04 "Ki" "Inhibition of mouse CA13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "quercetin" 3514 "Aldose reductase" "Enzyme" "P16116" "AKR1B1" "ALDR_BOVIN" 5.55 "IC50" "Inhibition of aldose reductase from calf lense by AR assay" "CHEMBL" "=" "Bos taurus" "quercetin" 3514 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 5.61 "Ki" "Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes." "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Alcohol dehydrogenase [NADP(+)]" "Enzyme" "P51635" "Akr1a1" "AK1A1_RAT" 5.63 "IC50" "In vitro inhibitory activity against aldehyde reductase 1 (ALR1) from rat kidney." "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 6.7 "IC50" "In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined" "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.16 "Ki" "Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement." "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 4.07 "IC50" "Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectrophotometric analysis" "CHEMBL" "=" "Enterobacter cloacae" "quercetin" 3514 "Amine oxidase [flavin-containing] A" "Enzyme" "P21398" "MAOA" "AOFA_BOVIN" 8 "IC50" "Inhibition of bovine MAO-A by fluorimetric method" "CHEMBL" "=" "Bos taurus" "quercetin" 3514 "Amine oxidase [flavin-containing] B" "Enzyme" "P56560" "MAOB" "AOFB_BOVIN" 4.7 "IC50" "Inhibition of bovine MAO-B by fluorimetric method" "CHEMBL" "=" "Bos taurus" "quercetin" 3514 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 4.6 "IC50" "Inhibition of human cyclin-dependent kinase 6 complex with a virus-encoded cyclin from herpesvirus saimiri (Vcyclin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P0AEK4" "fabI" "FABI_ECOLI" 4.7 "IC50" "Inhibition of Escherichia coli ENR" "CHEMBL" "=" "Escherichia coli (strain K12)" "quercetin" 3514 "Enoyl-acyl-carrier protein reductase" "Enzyme" "Q965D5" "fabI" "Q965D5_PLAFA" 7.66 "Ki" "Inhibition of Plasmodium falciparum ENR in presence of triclosan" "CHEMBL" "=" "Plasmodium falciparum" "quercetin" 3514 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4.51 "IC50" "Inhibition of mushroom tyrosinase" "CHEMBL" "=" "Agaricus bisporus" "quercetin" 3514 "Aldo-keto reductase family 1 member C21" "Enzyme" "Q91WR5" "Akr1c21" "AK1CL_MOUSE" 4.96 "Ki" "Inhibition of mouse recombinant AKR1C21" "CHEMBL" "=" "Mus musculus" "quercetin" 3514 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.02 "IC50" "Inhibition of AXL (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Neuraminidase" "Enzyme" "B4URF0" "B4URF0_9INFA" 5.66 "IC50" "Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase" "CHEMBL" "=" "Influenza A virus (A/WSN/1933(H1N1))" "quercetin" 3514 "C-X-C chemokine receptor type 1" "GPCR" "P25024" "CXCR1" "CXCR1_HUMAN" 5.35 "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" "quercetin" 3514 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 5.93 "Ki" "Inhibitory constant against Zea mays CK2alpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.29 "IC50" "Inhibition of ARK5 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.04 "IC50" "Inhibition of aurora-B (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 5.05 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Sialidase" "Enzyme" "P10481" "nanH" "NANH_CLOPF" 5.77 "IC50" "Inhibition of Clostridium perfringens neuraminidase" "CHEMBL" "=" "Clostridium perfringens" "quercetin" 3514 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 4.86 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "G-protein coupled receptor 35" "GPCR" "Q9HC97" "GPR35" "GPR35_HUMAN" 4.81 "IC50" "Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 5.7 "IC50" "Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC as substrate after 24 hrs by fluorescence based method" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 7.11 "IC50" "Inhibition of human CYP1B1 by EROD assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Malate dehydrogenase" "Enzyme" "P10584" "mdh" "MDH_THETH" 5.22 "IC50" "Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus" "CHEMBL" "=" "Thermus thermophilus" "quercetin" 3514 "5'-nucleotidase" "Enzyme" "P21588" "Nt5e" "5NTD_RAT" 7.34 "Ki" "Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method" "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "3-oxoacyl-acyl-carrier protein reductase" "Enzyme" "Q965D6" "fabG" "Q965D6_PLAFA" 5.27 "IC50" "Inhibition of FabG" "CHEMBL" "=" "Plasmodium falciparum" "quercetin" 3514 "Beta-hydroxyacyl-ACP dehydratase; Fatty acid synthesis protein" "Enzyme" "Q965D7" "fabZ" "Q965D7_PLAFA" 5.82 "IC50" "Inhibition of FabZ" "CHEMBL" "=" "Plasmodium falciparum" "quercetin" 3514 "Phosphatidylinositol 3-kinase regulatory subunit alpha" "Kinase" "P27986" "PIK3R1" "P85A_HUMAN" 5.42 "IC50" "Inhibition of PI3K" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "NADPH oxidase 4" "Enzyme" "Q9NPH5" "NOX4" "NOX4_HUMAN" 6.17 "IC50" "Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Replicase polyprotein 1ab" "Enzyme" "P0C6X7" "rep" "R1AB_CVHSA" 5.09 "IC50" "Inhibition of SARS coronavirus helicase assessed as duplex-DNA unwinding by FRET based assay" "CHEMBL" "=" "Human SARS coronavirus" "quercetin" 3514 "Lactoperoxidase" "Enzyme" "P80025" "LPO" "PERL_BOVIN" 5.21 "IC50" "Inhibition of bovine milk LPO assessed as reduction in NaOSCN production in presence of H2O2/NaSCN after 5 mins" "CHEMBL" "=" "Bos taurus" "quercetin" 3514 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 5.9 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "D-alanine--D-alanine ligase" "Enzyme" "Q1CTD3" "ddl" "DDL_HELPH" 5.37 "Ki" "Competitive inhibition of Helicobacter pylori Ddl using ATP as substrate" "CHEMBL" "=" "Helicobacter pylori (strain HPAG1)" "quercetin" 3514 "Serine/threonine-protein kinase Nek6" "Kinase" "Q9HC98" "NEK6" "NEK6_HUMAN" 5.37 "IC50" "Inhibition of NEK6 (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "quercetin" 3514 "Arginase" "Enzyme" "O96394" "O96394_LEIAM" 5.4 "IC50" "Inhibition of Leishmania amazonensis recombinant arginase expressed in Escherichia coli Rosetta (DE3) pLysS using L-arginine as substrate incubated for 10 mins prior to substrate addition measured after 10 mins by colorimetry" "CHEMBL" "=" "Leishmania amazonensis" "quercetin" 3514 "Cyclin-dependent kinase 1/cyclin B1" "Kinase" "P06493|P14635" "CDK1|CCNB1" "CDK1_HUMAN|CCNB1_HUMAN" 4.7 "IC50" "Inhibition of Cyclin-dependent kinase 1-cyclin B1" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem" "Homo sapiens" "quercetin" 3514 "Cyclin-dependent kinase 5/CDK5 activator 1" "Kinase" "Q00535|Q15078" "CDK5|CDK5R1" "CDK5_HUMAN|CD5R1_HUMAN" 4.64 "IC50" "Inhibition of Cyclin-dependent kinase 5-p25nck5a" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem" "Homo sapiens" "quercetin" 3514 "Cyclin-dependent kinase 1/cyclin B" "Kinase" "O95067|P06493|P14635|Q8WWL7" "CCNB2|CDK1|CCNB1|CCNB3" "CCNB2_HUMAN|CDK1_HUMAN|CCNB1_HUMAN|CCNB3_HUMAN" 4.12 "IC50" "Inhibition of cyclin-dependent kinase 1/cyclinB" "CHEMBL" "=" "Tbio|Tbio|Tchem|Tchem|Tbio|Tbio|Tchem|Tchem|Tbio|Tbio|Tchem|Tchem|Tbio|Tbio|Tchem|Tchem" "Homo sapiens" "quercetin" 3514 "Cyclin-dependent kinase 4/cyclin D1" "Kinase" "P11802|P24385" "CDK4|CCND1" "CDK4_HUMAN|CCND1_HUMAN" 4.21 "IC50" "Inhibitory activity against cyclin-dependent kinase 4-cyclin D1" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "quercetin" 3514 "Glycogen synthase kinase-3" "Kinase" "P49840|P49841" "GSK3A|GSK3B" "GSK3A_HUMAN|GSK3B_HUMAN" 5.68 "IC50" "Inhibition of glycogen synthase kinase 3" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "quercetin" 3514 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 5.19 "IC50" "Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in gadolinium-induced calcium entry after 30 mins by fluo-4 dye based fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Nitric oxide synthase, inducible" "Enzyme" "P29477" "Nos2" "NOS2_MOUSE" 4.79 "IC50" "Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse RAW264.7 cells after 24 hrs by Griess reaction analysis" "CHEMBL" "=" "Mus musculus" "quercetin" 3514 "Sorbitol dehydrogenase" "Enzyme" "Q00796" "SORD" "DHSO_HUMAN" 4.45 "IC50" "In vitro inhibitory activity against sorbitol dehydrogenase (SD) from sheep liver" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Chymotrypsin C" "Enzyme" "Q99895" "CTRC" "CTRC_HUMAN" 4 "IC50" "Inhibitory activity against chymotrypsinogen" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Cell division protein kinase 5" "Kinase" "Q03114" "Cdk5" "CDK5_RAT" 4.2 "EC50" "Inhibition of rat fetal brain CDK5 assessed as phosphorylated histone H1 levels by immuno-precipitation" "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Hypoxia-inducible factor 1-alpha inhibitor" "Enzyme" "Q9NWT6" "HIF1AN" "HIF1N_HUMAN" 4.99 "IC50" "Inhibition of human recombinant FIH1" "CHEMBL" "=" "Tbio" "Homo sapiens" "quercetin" 3514 "D-alanylalanine synthetase" "Enzyme" "P07862" "ddlB" "DDLB_ECOLI" 4.7 "IC50" "Competitive inhibition of Escherichia coli DdlB using ATP as substrate" "CHEMBL" "=" "Escherichia coli (strain K12)" "quercetin" 3514 "Lymphocyte differentiation antigen CD38" "Tumour-associated antigen" "P28907" "CD38" "CD38_HUMAN" 4.42 "IC50" "Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Phosphodiesterase 2A" "Enzyme" "Q01062" "Pde2a" "PDE2A_RAT" 4.09 "IC50" "Inhibition of rat brain particulate cGMP phosphodiesterase" "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Cytosol aminopeptidase" "Enzyme" "P28839" "LAP3" "AMPL_PIG" 4.46 "IC50" "Inhibition of pig kidney cytosolic Leucyl aminopeptidase" "CHEMBL" "=" "Sus scrofa" "quercetin" 3514 "Glutathione reductase" "Enzyme" "P41921" "GLR1" "GSHR_YEAST" 4.31 "IC50" "In vitro inhibitory activity against glutathione reductase (GR) from bakers yeast" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "quercetin" 3514 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 5.1 "IC50" "Inhibition of amyloid beta (1 to 42) aggregation (unknown origin)" "CHEMBL" "=" "Homo sapiens" "quercetin" 3514 "Cytochrome P450 1A1" "Enzyme" "P04798" "CYP1A1" "CP1A1_HUMAN" 5.06 "EC50" "Inhibition of human CYP1A1 transfected in HEK293 cells assessed as protection against CYP1A1 mediated B[a]P toxicity by measuring B[a]P EC50 at 20 uM by MTT assay (Rvb =1.2+/- 0.3 uM)" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Solute carrier family 2, facilitated glucose transporter member 2" "Transporter" "P11168" "SLC2A2" "GTR2_HUMAN" 4.92 "IC50" "Inhibition of human GLUT2 expressed in Xenopus laevis oocytes assessed as reduction in [14C]fructose uptake by scintillation spectrometric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "ELAV-like protein 3" "Unclassified" "Q14576" "ELAVL3" "ELAV3_HUMAN" 5.75 "IC50" "Inhibition of ELAV3 (unknown origin)-artificial ARE complex formation after 30 mins in the presence of biotin-labeled RNA probe by chemiluminescence nucleic acid detection method" "CHEMBL" "=" "Tbio" "Homo sapiens" "quercetin" 3514 "ELAV-like protein 1" "Unclassified" "Q15717" "ELAVL1" "ELAV1_HUMAN" 5.85 "IC50" "Inhibition of ELAV1 (unknown origin)-ARE TNFalpha complex formation after 20 mins by liquid scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 5.9 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "quercetin" 3514 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 4.07 "IC50" "Inhibition of Enterobacter cloacae beta-lactamase incubated for 10 mins followed by nitrocefin substrate challenge and measured for 5 mins by spectrophotometric analysis" "CHEMBL" "=" "Enterobacter cloacae" "quercetin" 3514 "Solute carrier family 2, facilitated glucose transporter member 4" "Transporter" "P19357" "Slc2a4" "GLUT4_RAT" 4.8 "Ki" "Competitive inhibition of GLUT4 in Wistar rat adipocytes assessed as reduction in insulin-stimulated 3-O-[3H]methyl-D-glucose uptake measured for 30 secs by Lineweaver-Burk plot analysis" "CHEMBL" "=" "Rattus norvegicus" "quercetin" 3514 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 5.7 "IC50" "Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC as substrate after 24 hrs by fluorescence based method" "CHEMBL" "=" "Tclin" "Homo sapiens" "quercetin" 3514 "Inositol polyphosphate multikinase" "Kinase" "Q8NFU5" "IPMK" "IPMK_HUMAN" 5.64 "IC50" "Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "quercetin" 3514 "Inositol hexakisphosphate kinase 2" "Kinase" "Q9UHH9" "IP6K2" "IP6K2_HUMAN" 6.16 "IC50" "Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "quercetin" 3514 "Short transient receptor potential channel 5" "Ion channel" "Q9UL62" "TRPC5" "TRPC5_HUMAN" 5.19 "IC50" "Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in gadolinium-induced calcium entry after 30 mins by fluo-4 dye based fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rapacuronium" 3520 "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 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8680742" "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" "Homo sapiens" "rasagiline" 3521 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.72 "IC50" "Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "rasagiline" 3521 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.15 "Ki" "Binding affinity towards monoamine oxidase B activity was measured using a benzylamine assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL887" "INHIBITOR" "Tclin" "Homo sapiens" "rasagiline" 3521 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 5.32 "IC50" "Inhibition of human serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "rasagiline" 3521 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.01 "Ki" "Binding affinity towards monoamine oxidase A activity was measured using a kynuramine assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rasagiline" 3521 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 8.36 "IC50" "In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from 0.0035-0.053" "CHEMBL" "=" "Rattus norvegicus" "rasagiline" 3521 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 6.39 "IC50" "In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 0.28-0.54" "CHEMBL" "=" "Rattus norvegicus" "resorcinol" 3524 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.11 "Ki" "Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "resorcinol" 3524 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 4.16 "Ki" "Inhibition of human carbonic anhydrase 9 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "resorcinol" 3524 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.12 "Ki" "Inhibition of human carbonic anhydrase 12 catalytic domain by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "resorcinol" 3524 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 5A by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "resorcinol" 3524 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.15 "Ki" "Inhibition of human carbonic anhydrase 5B by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "resorcinol" 3524 "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" "resorcinol" 3524 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 4.2 "Ki" "Inhibition of mouse carbonic anhydrase 13 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Mus musculus" "resorcinol" 3524 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 4.06 "Kd" "Binding affinity to COX1 in sheep seminal vesicle" "CHEMBL" "=" "Ovis aries" "resorcinol" 3524 "Carbonic anhydrase" "Enzyme" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.19 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "Dicentrarchus labrax" "revaprazan" 3525 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/14681344" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "rioprostil" 3529 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" "Mechanism of Action" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D05732" "AGONIST" "Tclin" "Homo sapiens" "roflumilast" 3531 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" 9.4 "IC50" "Inhibition of human recombinant PDE4B by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "roflumilast" 3531 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 9.46 "IC50" "Inhibition of human full length PDE4A4 expressed in baculovirus infected sf21 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "roflumilast" 3531 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 9.57 "IC50" "Inhibition of human PDE4D3 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "roflumilast" 3531 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 9.1 "IC50" "Inhibition of human phosphodiesterase 4" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL193240" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "roflumilast" 3531 "Phosphodiesterase" "Enzyme" "Q8WQX9" "PDEB1" "Q8WQX9_9TRYP" 5.5 "Ki" "Inhibition of full length Trypanosoma brucei PDEB1 expressed in Sf21 insect cells using cAMP as substrate by scintillation proximity assay" "CHEMBL" "=" "Trypanosoma brucei" "ruboxistaurin" 3533 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.38 "Kd" "Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 5.15 "Kd" "Average Binding Constant for PDGFRB; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.42 "Kd" "Average Binding Constant for KIT; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.29 "Kd" "Binding constant for EGFR(E746-A750del) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.89 "Kd" "Average Binding Constant for LCK; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.89 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 5.66 "Kd" "Average Binding Constant for RPS6KA3 (Kin.Dom. 1); NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 7.3 "Kd" "Competitive binding affinity to PIM1 in presence of ATP" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.54 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.89 "Kd" "Average Binding Constant for DAPK3; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.55 "Kd" "Average Binding Constant for HCK; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C beta type" "Kinase" "P05771" "PRKCB" "KPCB_HUMAN" 8.33 "IC50" "Inhibition of Protein kinase C beta 1" "CHEMBL" "=" "Homo sapiens" "ruboxistaurin" 3533 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 5.59 "Kd" "Average Binding Constant for DAPK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 8.44 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "cAMP-dependent protein kinase catalytic subunit beta" "Kinase" "P22694" "PRKACB" "KAPCB_HUMAN" 5.49 "Kd" "Binding constant for full-length PKAC-beta" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 6.44 "IC50" "Inhibition of Protein kinase C alpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 5.34 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C gamma type" "Kinase" "P05129" "PRKCG" "KPCG_HUMAN" 6.52 "IC50" "Inhibition of Protein kinase C gamma" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 5.11 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 6.05 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 5.64 "Kd" "Average Binding Constant for MARK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 6.55 "Kd" "Binding constant for RPS6KA2(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C eta type" "Kinase" "P24723" "PRKCH" "KPCL_HUMAN" 5.74 "Kd" "Binding constant for PRKCH kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.29 "Kd" "Average Binding Constant for FGFR1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.57 "Kd" "Average Binding Constant for PHkg1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.35 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.55 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 7.96 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 6.43 "Kd" "Average Binding Constant for STK18; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 5.52 "Kd" "Average Binding Constant for Aurora3; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.46 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 8.6 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.24 "Kd" "Average Binding Constant for TNIK; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.37 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase pim-2" "Kinase" "Q9P1W9" "PIM2" "PIM2_HUMAN" 6.89 "Kd" "Average Binding Constant for PIM2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 6.04 "Kd" "Binding constant for full-length CLK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 6.38 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 5.08 "Kd" "Average Binding Constant for MAP4K5; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 5.96 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 5.59 "Kd" "Binding constant for full-length GSK3B" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.59 "Kd" "Average Binding Constant for CAMK1D; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.59 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 6.66 "Kd" "Average Binding Constant for STK4; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 5.89 "Kd" "Binding constant for RPS6KA5(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.4 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.72 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.96 "Kd" "Average Binding Constant for CAMKK2; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 5.82 "Kd" "Average Binding Constant for CAMKK1; NA=Not Active at 10 uM" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 6.15 "Kd" "Binding constant for full-length PDPK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase 3" "Kinase" "Q9JI10" "Stk3" "STK3_MOUSE" 7.05 "Kd" "Average Binding Constant for STK3_m; NA=Not Active at 10 uM" "CHEMBL" "=" "Mus musculus" "ruboxistaurin" 3533 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.77 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 6.68 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.82 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "RAC-beta serine/threonine-protein kinase" "Kinase" "P31751" "AKT2" "AKT2_HUMAN" 5.06 "Kd" "Binding constant for AKT2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 6.02 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.64 "Kd" "Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.49 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 6.27 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 6.16 "Kd" "Binding constant for full-length PIP5K1A" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 6.08 "Kd" "Binding constant for full-length PIP5K2B" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 6.09 "Kd" "Binding constant for full-length RIOK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase tousled-like 1" "Kinase" "Q9UKI8" "TLK1" "TLK1_HUMAN" 5.68 "Kd" "Binding constant for TLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 5.44 "Kd" "Binding constant for full-length CSNK2A1" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 5.47 "Kd" "Binding constant for full-length CSNK2A2" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.27 "Kd" "Binding constant for full-length DYRK1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 5.23 "Kd" "Binding constant for LKB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 5.15 "Kd" "Binding constant for MKNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 6.19 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 5.92 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 5.96 "Kd" "Binding constant for SRPK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 5.59 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 6.55 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "RAC-gamma serine/threonine-protein kinase" "Kinase" "Q9Y243" "AKT3" "AKT3_HUMAN" 5.85 "Kd" "Binding constant for AKT3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 5.59 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 6.19 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.59 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.74 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 7.92 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "cAMP-dependent protein kinase catalytic subunit alpha" "Kinase" "P17612" "PRKACA" "KAPCA_HUMAN" 5.27 "Kd" "Binding constant for PKAC-alpha kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 5.08 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 6.03 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.41 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.85 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.85 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 6.01 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase 15" "Kinase" "Q8TD08" "MAPK15" "MK15_HUMAN" 7.06 "Kd" "Binding constant for ERK8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 6.05 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "cGMP-dependent protein kinase 2" "Kinase" "Q13237" "PRKG2" "KGP2_HUMAN" 5.51 "Kd" "Binding constant for PRKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.24 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.4 "Kd" "Binding constant for RPS6KA1(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 5.21 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 6.54 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.51 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.01 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 6.55 "Kd" "Binding constant for CDK4-cyclinD1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 5.43 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 6.6 "Kd" "Binding constant for DYRK1A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 6.1 "Kd" "Binding constant for GRK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 6.23 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 6.51 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 6.85 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 7.11 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 6.62 "Kd" "Binding constant for ICK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.15 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.77 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.8 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.74 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 7.01 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.32 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 6.64 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Cyclin-dependent kinase-like 5" "Kinase" "O76039" "CDKL5" "CDKL5_HUMAN" 5.39 "Kd" "Binding constant for CDKL5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C iota type" "Kinase" "P41743" "PRKCI" "KPCI_HUMAN" 5.85 "Kd" "Binding constant for PRKCI kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 5.8 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma" "Kinase" "O60331" "PIP5K1C" "PI51C_HUMAN" 6.29 "Kd" "Binding constant for PIP5K1C kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 5.85 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 5.41 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "ruboxistaurin" 3533 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 5.96 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 5.01 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ruboxistaurin" 3533 "Protein kinase C (PKC)" "Kinase" "P05696|P09215|P09216|P09217|P63319|P68403|Q64617|Q9WTQ0" "Prkca|Prkcd|Prkce|Prkcz|Prkcg|Prkcb|Prkch|Prkcq" "KPCA_RAT|KPCD_RAT|KPCE_RAT|KPCZ_RAT|KPCG_RAT|KPCB_RAT|KPCL_RAT|KPCT_RAT" 6.49 "IC50" "Inhibition of purified rat brain protein kinase C (RB-PKC)" "CHEMBL" "=" "Rattus norvegicus" "ruboxistaurin" 3533 "CaM kinase II" "Kinase" "Q13554|Q13555|Q13557|Q9UQM7" "CAMK2B|CAMK2G|CAMK2D|CAMK2A" "KCC2B_HUMAN|KCC2G_HUMAN|KCC2D_HUMAN|KCC2A_HUMAN" 5.21 "IC50" "Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem|Tchem" "Homo sapiens" "rufinamide" 3534 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.46 "Ki" "Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rufinamide" 3534 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A" "SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201754" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "rufinamide" 3534 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.46 "Ki" "Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "rutoside" 3535 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.03 "Ki" "Binding affinity to adrenergic alpha2A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "rutoside" 3535 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.454 "Ki" "PDSP" "Tclin" "Homo sapiens" "rutoside" 3535 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 5.02 "Ki" "Binding affinity to adrenergic alpha2c receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "rutoside" 3535 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 7.92 "IC50" "Inhibition of AChE (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "rutoside" 3535 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 4.28 "IC50" "Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "rutoside" 3535 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 4.61 "IC50" "Inhibition of sEH (unknown origin) assessed as substrate PHOME hydrolysis after 1 hr by fluorescence method" "CHEMBL" "=" "Tchem" "Homo sapiens" "rutoside" 3535 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 4.89 "IC50" "Inhibition of aldose reductase in rat lens homogenates by fluorophotometer" "CHEMBL" "=" "Rattus norvegicus" "rutoside" 3535 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4.16 "IC50" "Inhibition of mushroom tyrosinase using L-DOPA as substrate measured at 1 min interval by spectrophotometric method" "CHEMBL" "=" "Agaricus bisporus" "rutoside" 3535 "Serum albumin" "Secreted" "P02769" "ALB" "ALBU_BOVIN" 4.38 "IC50" "Inhibition of glycation of bovine serum albumin assessed as advanced glycated end product measured after 7 days by spectrofluorimeter in presence of glucose anhydrous" "CHEMBL" "=" "Bos taurus" "rutoside" 3535 "Neuraminidase" "Enzyme" "B4URF0" "B4URF0_9INFA" 4.47 "Ki" "Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase" "CHEMBL" "=" "Influenza A virus (A/WSN/1933(H1N1))" "rutoside" 3535 "Sialidase" "Enzyme" "P10481" "nanH" "NANH_CLOPF" 4.51 "IC50" "Inhibition of Clostridium perfringens neuraminidase" "CHEMBL" "=" "Clostridium perfringens" "rutoside" 3535 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 5.67 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "rutoside" 3535 "Neuromedin-U receptor 2" "GPCR" "Q9GZQ4" "NMUR2" "NMUR2_HUMAN" 5.92 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "rutoside" 3535 "Neuraminidase" "Enzyme" "P03469" "NRAM_I77AB" 4.02 "IC50" "CHEMBL" "=" "Influenza A virus (strain A/USSR/90/1977 H1N1)" "rutoside" 3535 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 5.67 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "sabcomeline" 3536 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.77 "IC50" "In vitro affinity against human Muscarinic acetylcholine receptor M1 using quinuclidynyl benzylate (QNB)" "CHEMBL" "=" "Tclin" "Homo sapiens" "sabcomeline" 3536 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.74 "IC50" "In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M2" "CHEMBL" "=" "Tclin" "Homo sapiens" "sabcomeline" 3536 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.22 "IC50" "In vitro affinity is evaluated, using quinuclidynyl benzylate (QNB) as radioligand in human cloned Muscarinic acetylcholine receptor M3" "CHEMBL" "=" "Tclin" "Homo sapiens" "sabcomeline" 3536 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 8.24 "EC50" "Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "sabcomeline" 3536 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "sabcomeline" 3536 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 7.85 "IC50" "In vitro affinity evaluated using [3H]- oxotremorine as radioligand in rat cerebral cortex for muscarinic acetylcholine receptor" "CHEMBL" "=" "Rattus norvegicus" "saralasin" 3542 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.77 "Ki" "Binding affinity to human AT1 receptor by radioligand displacement assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL938" "ANTAGONIST" "Tclin" "Homo sapiens" "saralasin" 3542 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 9.82 "Ki" "Displacement of radiolabeled saralasin from human AT2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "saralasin" 3542 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 8.62 "IC50" "Binding affinity for Angiotensin II receptor, type 1 measured by ability to displace [125I]- A II from its specific binding site in rat liver membrane" "CHEMBL" "=" "Rattus norvegicus" "saralasin" 3542 "Type-2 angiotensin II receptor" "GPCR" "P35351" "Agtr2" "AGTR2_RAT" 9 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "saralasin" 3542 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.77 "IC50" "In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver" "CHEMBL" "=" "Rattus norvegicus" "sitaxentan" 3548 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 9.37 "Ki" "Binding affinity against human Endothelin A receptor" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3950" "ANTAGONIST" "Tclin" "Homo sapiens" "sitaxentan" 3548 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 5.01 "IC50" "In vitro inhibition of endothelin binding to human Endothelin B receptor using [125I]-labeled ET-1 competition assay" "CHEMBL" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "sitaxentan" 3548 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 9.37 "Ki" "Binding affinity towards Endothelin A receptor" "CHEMBL" "=" "ANTAGONIST" "Rattus norvegicus" "stallimycin" 3553 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 5.57 "IC50" "Inhibit supercoil relaxation property of topoisomerase I." "CHEMBL" "=" "Tclin" "Homo sapiens" "stallimycin" 3553 "GTPase HRas" "Cytosolic other" "P01112" "HRAS" "RASH_HUMAN" 6.7 "IC50" "Tested for 50% inhibition of generation of Human Ha-ras polymerase chain reaction(PCR) products" "CHEMBL" "=" "Tchem" "Homo sapiens" "stallimycin" 3553 "Estrogen receptor" "Nuclear hormone receptor" "P03372|Q92731" "ESR1|ESR2" "ESR1_HUMAN|ESR2_HUMAN" 7.7 "IC50" "Tested for 50% inhibition of generation of Human estrogen receptor polymerase chain reaction(PCR) products" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sulbentine" 3557 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 4.55 "IC50" "In vitro inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "sulbentine" 3557 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 4.54 "IC50" "In vitro inhibition of [3H]- [p-Cl-Phe4]DPDPE binding to Opioid receptor delta 1 using rat brain membranes." "CHEMBL" "=" "Rattus norvegicus" "sulmazole" 3574 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 4.68 "IC50" "In vitro inhibition of PDE-V isolated from porcine pulmonary artery." "CHEMBL" "=" "Tclin" "Homo sapiens" "sulmazole" 3574 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" 4.3 "IC50" "Concentration of compound required for 50% inhibition of type III cAMP phosphodiesterase from dog ventricles, activity expressed as pIC50" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "oxedrine" 3577 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 4.2 "Ki" "Displacement of [3H]8-OH-DPAT from 5HT1A receptor by vacuum filtration" "CHEMBL" "=" "Tclin" "Homo sapiens" "oxedrine" 3577 "Neuromedin-U receptor 2" "GPCR" "Q9GZQ4" "NMUR2" "NMUR2_HUMAN" 5.18 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "talastine" 3579 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/13499132" "ANTAGONIST" "Tclin" "Homo sapiens" "tamibarotene" 3580 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 7.11 "IC50" "Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)" "CHEMBL" "=" "Tclin" "Homo sapiens" "tamibarotene" 3580 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 6.63 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "tamibarotene" 3580 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 6.23 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "terazosin" 3584 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.26 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "terazosin" 3584 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.75 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "terazosin" 3584 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.45 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "terazosin" 3584 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.95 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "ANTAGONIST" "Tclin" "Homo sapiens" "terazosin" 3584 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.93 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "terazosin" 3584 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.88 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "terazosin" 3584 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 9.2 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "ANTAGONIST" "Tclin" "Homo sapiens" "terazosin" 3584 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.08 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL611" "ANTAGONIST" "Tclin" "Homo sapiens" "terazosin" 3584 "Ribosyldihydronicotinamide dehydrogenase [quinone]" "Enzyme" "P16083" "NQO2" "NQO2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "terazosin" 3584 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.63 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "terazosin" 3584 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 8.72 "Ki" "Compound was evaluated for its ability to displace [125I]HEAT binding from rat Alpha-1B adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "terazosin" 3584 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 9.09 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1A" "CHEMBL" "=" "Rattus norvegicus" "terazosin" 3584 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.11 "Ki" "Binding affinity against rat Alpha-2B adrenergic receptor using [3H]rauwolscine as radioligand" "CHEMBL" "=" "Rattus norvegicus" "terazosin" 3584 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 9 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell" "CHEMBL" "=" "Rattus norvegicus" "terazosin" 3584 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 7.59 "Ki" "Binding affinity against Alpha-1A adrenergic receptor from bovine clone" "CHEMBL" "=" "Bos taurus" "terazosin" 3584 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.16 "Ki" "In vitro binding affinity using [3H]prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell" "CHEMBL" "=" "Mesocricetus auratus" "tetryzoline" 3591 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.52 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 3.0*10e-8" "CHEMBL" "=" "Rattus norvegicus" "tetryzoline" 3591 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.8 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 1.6*10e-6" "CHEMBL" "=" "Rattus norvegicus" "tetryzoline" 3591 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1b|Adra2b|Adra2c|Adra2a|Adra1d|Adra1a" "ADA1B_RAT|ADA2B_RAT|ADA2C_RAT|ADA2A_RAT|ADA1D_RAT|ADA1A_RAT" 7.96 "Ki" "Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "tetryzoline" 3591 "Adrenergic receptor alpha" "GPCR" "P08913|P18089|P18825|P25100|P35348|P35368" "ADRA2A|ADRA2B|ADRA2C|ADRA1D|ADRA1A|ADRA1B" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN|ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" "Mechanism of Action; CHEMBL2095203; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1266" "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" "Homo sapiens" "thiram" 3601 "Fatty-acid amide hydrolase 1" "Enzyme" "O00519" "FAAH" "FAAH1_HUMAN" 4.35 "IC50" "Inhibition of human recombinant FAAH-maltose binding protein" "CHEMBL" "=" "Tchem" "Homo sapiens" "thiram" 3601 "Gamma-butyrobetaine dioxygenase" "Enzyme" "O75936" "BBOX1" "BODG_HUMAN" 5.24 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "thiram" 3601 "Monoglyceride lipase" "Enzyme" "Q99685" "MGLL" "MGLL_HUMAN" 6.01 "IC50" "Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "thiram" 3601 "Bifunctional protein GlmU" "Enzyme" "P9WMN3" "glmU" "GLMU_MYCTU" 4.05 "IC50" "Active" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "thiram" 3601 "Protein-lysine 6-oxidase" "Enzyme" "P28300" "LOX" "LYOX_HUMAN" 5.98 "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" "thiram" 3601 "Lysyl oxidase homolog 3" "Enzyme" "P58215" "LOXL3" "LOXL3_HUMAN" 6.96 "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" "thiram" 3601 "Lysyl oxidase homolog 4" "Enzyme" "Q96JB6" "LOXL4" "LOXL4_HUMAN" 6.75 "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" "thiram" 3601 "Histone-lysine N-methyltransferase EHMT2" "Enzyme" "Q96KQ7" "EHMT2" "EHMT2_HUMAN" 6.26 "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" "thiram" 3601 "Histone-lysine N-methyltransferase EHMT1" "Enzyme" "Q9H9B1" "EHMT1" "EHMT1_HUMAN" 5.96 "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" "thiram" 3601 "Lysyl oxidase homolog 2" "Enzyme" "Q9Y4K0" "LOXL2" "LOXL2_HUMAN" 6.77 "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" "thyropropic acid" 3604 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 10.39 "IC50" "Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "thyropropic acid" 3604 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 10.72 "IC50" "Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor beta) was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "thyropropic acid" 3604 "Proliferating cell nuclear antigen" "Nuclear other" "P12004" "PCNA" "PCNA_HUMAN" 4.77 "IC50" "Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tioxolone" 3607 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.75 "IC50" "Inhibition of human recombinant carbonic anhydrase 2 assessed as activity of carbonic anhydrase 2 esterase activity against 4-nitrophenyl acetate" "CHEMBL" "=" "Tclin" "Homo sapiens" "tioxolone" 3607 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.02 "IC50" "Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "tioxolone" 3607 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.01 "IC50" "Inhibition of recombinant human MAO-A after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "tipranavir" 3609 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "tipranavir" 3609 "Cathepsin D" "Enzyme" "P07339" "CTSD" "CATD_HUMAN" 4.82 "Ki" "Compound was tested for inhibition human Cathepsin D" "CHEMBL" "=" "Tchem" "Homo sapiens" "tipranavir" 3609 "Pol polyprotein" "Enzyme" "Q72874" "pol" "Q72874_9HIV1" 7.52 "IC50" "Tested for inhibition of HIV protease" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL222559" "INHIBITOR" "Human immunodeficiency virus 1" "tipranavir" 3609 "CAAX prenyl protease 1 homolog" "Enzyme" "Q80W54" "Zmpste24" "FACE1_MOUSE" 5.92 "IC50" "Inhibition of mouse ZMPSTE24 expressed n delta ste24 delta rce1 yeast" "CHEMBL" "=" "Mus musculus" "tipranavir" 3609 "Cathepsin E" "Enzyme" "P14091" "CTSE" "CATE_HUMAN" 5.05 "Ki" "Compound was tested for inhibition human Cathepsin E" "CHEMBL" "=" "Tchem" "Homo sapiens" "tipranavir" 3609 "Pepsin A-5" "Enzyme" "P0DJD9" "PGA5" "PEPA5_HUMAN" 5.7 "Ki" "Inhibition of human pepsin" "CHEMBL" "=" "Tclin" "Homo sapiens" "tiratricol" 3611 "Thyroid hormone receptor alpha" "Nuclear hormone receptor" "P10827" "THRA" "THA_HUMAN" 9.85 "IC50" "Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone receptor alpha) was determined" "CHEMBL" "=" "Tclin" "Homo sapiens" "tiratricol" 3611 "Thyroid hormone receptor beta" "Nuclear hormone receptor" "P10828" "THRB" "THB_HUMAN" 10.39 "IC50" "Inhibition of thyroid hormone receptor beta" "CHEMBL" "=" "Tclin" "Homo sapiens" "tiratricol" 3611 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 4.46 "IC50" "Transcriptional activity at human androgen receptor BF3 site stably transfected in eGFP-expressing human LNCAP cells after 5 days by fluorometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "tiratricol" 3611 "Thyroid hormone receptor beta" "Transcription factor" "P18113" "Thrb" "THB_RAT" 9.82 "IC50" "In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine receptor" "CHEMBL" "=" "Rattus norvegicus" "tiratricol" 3611 "Proliferating cell nuclear antigen" "Nuclear other" "P12004" "PCNA" "PCNA_HUMAN" 4.6 "IC50" "Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tiratricol" 3611 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.16 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "tiratricol" 3611 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 5.16 "IC50" "Inhibition of HA-tagged human NTCP expressed in human U2OS cells assessed as reduction in [14C]taurocholate uptake preincubated for 10 mins followed by [14C] taurocholate addition and further incubation for 10 mins by scintillation counting method" "CHEMBL" "=" "Tchem" "Homo sapiens" "Vitamin E" 3613 "Glutathione S-transferase P" "Enzyme" "P09211" "GSTP1" "GSTP1_HUMAN" 6.3 "IC50" "Inhibition of human GSTP1-1" "CHEMBL" "=" "Tchem" "Homo sapiens" "Vitamin E" 3613 "Alpha-tocopherol transfer protein" "Transporter" "P49638" "TTPA" "TTPA_HUMAN" 5.62 "Kd" "Displacement of NBD-Toc from human recombinant alphaTTP" "CHEMBL" "=" "Tchem" "Homo sapiens" "toliprolol" 3616 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.42 "Kd" "Binding affinity to beta-1 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "toliprolol" 3616 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.92 "Kd" "Binding affinity to beta2 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "toliprolol" 3616 "Beta-2 adrenergic receptor" "GPCR" "Q28044" "ADRB2" "ADRB2_BOVIN" 7.36 "Kd" "Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)" "CHEMBL" "=" "Bos taurus" "toliprolol" 3616 "Beta-1 adrenergic receptor" "GPCR" "B0FL73" "ADRB1" "B0FL73_CAVPO" 8.75 "Kd" "Beta-1 adrenergic receptor activation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium" "CHEMBL" "=" "Cavia porcellus" "tolnaftate" 3617 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 5.894 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tolnaftate" 3617 "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" "tolnaftate" 3617 "Lanosterol 14-alpha demethylase" "Enzyme" "Q16850" "CYP51A1" "CP51A_HUMAN" 4.3 "IC50" "Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tramazoline" 3620 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.5 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "tramazoline" 3620 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.86 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "tramazoline" 3620 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.56 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "tramazoline" 3620 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.38 "Ki" "Displacement of [3H]clonidine from Alpha-2 adrenergic receptor of rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "tramazoline" 3620 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.96 "IC50" "50% inhibition of specific [3H]prazosin binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "Rattus norvegicus" "triclocarban" 3630 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 7.89 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "triclocarban" 3630 "Epoxide hydrolase; Epoxide hydrolase EphB" "Enzyme" "P95276" "P95276_MYCTO" 6.66 "IC50" "Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent assay relative to control" "CHEMBL" "=" "Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)" "triclocarban" 3630 "Epoxide hydrolase 1" "Enzyme" "P07099" "EPHX1" "HYEP_HUMAN" 6.92 "IC50" "CHEMBL" "=" "Homo sapiens" "triclocarban" 3630 "Epoxide hydrolase 1" "Enzyme" "Q9D379" "Ephx1" "HYEP_MOUSE" 6.44 "IC50" "CHEMBL" "=" "Mus musculus" "triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "P9WGR1" "inhA" "INHA_MYCTU" 6.7 "Ki" "Inhibition of Mycobacterium tuberculosis H37RV InhA" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "triclosan" 3631 "Carbonyl reductase [NADPH] 1" "Enzyme" "P16152" "CBR1" "CBR1_HUMAN" 7.22 "Ki" "Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI" "Enzyme" "Q6GI75" "fabI" "FABI_STAAR" 7.15 "IC50" "Inhibitory activity against Enoyl-ACP reductase FabI in Staphylococcus aureus" "CHEMBL" "=" "Staphylococcus aureus (strain MRSA252)" "triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P0AEK4" "fabI" "FABI_ECOLI" 6.37 "IC50" "Antibacterial activity against Escherichia coli FabI" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL849" "INHIBITOR" "Escherichia coli (strain K12)" "triclosan" 3631 "Enoyl-acyl-carrier protein reductase" "Enzyme" "Q965D5" "fabI" "Q965D5_PLAFA" 10.28 "Ki" "Inhibition of Plasmodium falciparum ENR in presence of ECG by dilution assay" "CHEMBL" "=" "Plasmodium falciparum" "triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH] FabI" "Enzyme" "P54616" "fabI" "FABI_BACSU" 6.3 "IC50" "Inhibition of Bacillus anthracis Enoyl ACP reductase" "CHEMBL" "=" "Bacillus subtilis (strain 168)" "triclosan" 3631 "Enoyl-acyl carrier reductase; Enoyl-acyl carrier reductase ENR" "Enzyme" "Q6UCJ9" "ENR" "Q6UCJ9_TOXGO" 7.82 "IC50" "Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-2-acyl-ACP to acyl-ACP" "CHEMBL" "=" "Toxoplasma gondii" "triclosan" 3631 "Enoyl-ACP reductase" "Enzyme" "Q9BJJ9" "FabI" "Q9BJJ9_PLAFA" 6.7 "IC50" "Inhibition of Plasmodium falciparum Enoyl-ACP reductase using crotonyl-CoA as substrate peincubated for 5 mins measured after 10 mins of substrate addition by UV-vis spectrophotometry" "CHEMBL" "=" "Plasmodium falciparum" "triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADPH]" "Enzyme" "Q9RMI3" "fabI" "Q9RMI3_STAAU" 7.23 "IC50" "Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins" "CHEMBL" "=" "Staphylococcus aureus" "triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NADH]" "Enzyme" "Q5NGQ3" "fabI" "Q5NGQ3_FRATT" 5.89 "IC50" "Inhibition of C-terminal His6-tagged wild type Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate by UV-vis spectrophotometric analysis in presence of non pre-equilibrated NAD+" "CHEMBL" "=" "Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)" "triclosan" 3631 "Enoyl-[acyl-carrier-protein] reductase [NULLDH]" "Enzyme" "M9TGV3" "inhA" "M9TGV3_MYCTX" 6.7 "Ki" "Uncompetitive inhibition of Mycobacterium tuberculosis InhA using trans-2-dodecenoyl-CoA as substrate in presence of NADH" "CHEMBL" "=" "Mycobacterium tuberculosis" "triclosan" 3631 "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" "uridine triphosphate" 3639 "P2Y purinoceptor 4" "GPCR" "P51582" "P2RY4" "P2RY4_HUMAN" 6.3 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "uridine triphosphate" 3639 "P2Y purinoceptor 6" "GPCR" "Q15077" "P2RY6" "P2RY6_HUMAN" 5.2 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "uridine triphosphate" 3639 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 8.1 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "uridine triphosphate" 3639 "P2Y purinoceptor 11" "GPCR" "Q96G91" "P2RY11" "P2Y11_HUMAN" 5.2 "EC50" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "uridine triphosphate" 3639 "P2X purinoceptor 3" "Ion channel" "P56373" "P2RX3" "P2RX3_HUMAN" 5.583 "Ki" "PDSP" "Tchem" "Homo sapiens" "uridine triphosphate" 3639 "P2Y purinoceptor 4" "GPCR" "O35811" "P2ry4" "P2RY4_RAT" 5.6 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "vildagliptin" 3642 "Prolyl endopeptidase FAP" "Enzyme" "Q12884" "FAP" "SEPR_HUMAN" 5.43 "IC50" "Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylcoumarin after 20 mins by fluorometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "vildagliptin" 3642 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 6.09 "Ki" "Inhibition of DPP8" "CHEMBL" "=" "Tchem" "Homo sapiens" "vildagliptin" 3642 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 7.17 "Ki" "Inhibition of DPP9" "CHEMBL" "=" "Tchem" "Homo sapiens" "vildagliptin" 3642 "Prolyl endopeptidase FAP" "Enzyme" "P97321" "Fap" "SEPR_MOUSE" 4.28 "IC50" "Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mins prior to substrate addition by fluorescence technique" "CHEMBL" "=" "Mus musculus" "vildagliptin" 3642 "Dipeptidyl peptidase 9" "Unclassified" "E1BI31" "DPP9" "E1BI31_BOVIN" 6.17 "IC50" "Inhibition of bovine DPP9" "CHEMBL" "=" "Bos taurus" "vildagliptin" 3642 "Dipeptidyl peptidase IV" "Unclassified" "O31048" "DPP IV" "O31048_PORGN" 7.77 "Ki" "Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate preincubated for 15 mins" "CHEMBL" "=" "Porphyromonas gingivalis" "vildagliptin" 3642 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 8.52 "Ki" "Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000771/WC500020327.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "vincamine" 3643 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 4.8 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vincamine" 3643 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.1 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vincamine" 3643 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.7 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vincamine" 3643 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.2 "Kd" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "vinflunine" 3644 "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" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19010832" "https://pubmed.ncbi.nlm.nih.gov/19010832" "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" "vorozole" 3651 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 8.86 "IC50" "Inhibition of human placental microsome CYP19" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/7726994" "INHIBITOR" "Tclin" "Homo sapiens" "xanomeline" 3652 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.9 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.9 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.4 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 7.38 "Ki" "Affinity towards human M1 receptor expressed in CHO cells using [3H]QNB as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 6.92 "Ki" "Displacement of [3H]-AFDX-384 from human muscarinic M2 receptor expressed in CHO-K1 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 7.89 "Ki" "Displacement of [3H]-4-DAMP from human muscarinic M3 receptor expressed in BHK-21 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 7.14 "Ki" "Displacement of [3H]-4-DAMP from human muscarinic M4 receptor expressed in BHK-21 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 7.1 "Ki" "Displacement of [3H]-4-DAMP from human muscarinic M5 receptor expressed in BHK-21 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.3 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 8.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.8 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 6.5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "xanomeline" 3652 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "xanomeline" 3652 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 7.8 "IC50" "In vitro Muscarinic acetylcholine receptor M2 binding was evaluated in rat brain membranes by using [3H]- Oxo-M" "CHEMBL" "=" "Rattus norvegicus" "xanomeline" 3652 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.7 "IC50" "Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes" "CHEMBL" "=" "Rattus norvegicus" "xanomeline" 3652 "Muscarinic acetylcholine receptor M1" "GPCR" "P12657" "Chrm1" "ACM1_MOUSE" 5.24 "EC50" "Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line" "CHEMBL" "=" "Mus musculus" "xanomeline" 3652 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 8.01 "IC50" "Binding affinity against muscarinic receptor in rat brain membranes using oxotremorine-M as ligand" "CHEMBL" "=" "Rattus norvegicus" "xylometazoline" 3658 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.82 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "xylometazoline" 3658 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.04 "Ki" "Binding affinity towards human Alpha-1 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "xylometazoline" 3658 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.89 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1B receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "xylometazoline" 3658 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 9.15 "Ki" "Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligand" "CHEMBL" "=" "Tclin" "Homo sapiens" "xylometazoline" 3658 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.89 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "xylometazoline" 3658 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 7.64 "IC50" "Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain membranes by 50% was reported; 2.3*10e-8" "CHEMBL" "=" "Rattus norvegicus" "xylometazoline" 3658 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 6.24 "IC50" "Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membranes by 50% was reported; 5.8*10e-7" "CHEMBL" "=" "Rattus norvegicus" "xylometazoline" 3658 "Adrenergic receptor alpha" "GPCR" "P15823|P19328|P22086|P22909|P23944|P43140" "Adra1b|Adra2b|Adra2c|Adra2a|Adra1d|Adra1a" "ADA1B_RAT|ADA2B_RAT|ADA2C_RAT|ADA2A_RAT|ADA1D_RAT|ADA1A_RAT" 8.32 "Ki" "Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "xylometazoline" 3658 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.98 "Ki" "PDSP" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20030735" "AGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.163 "Ki" "DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "yohimbine" 3659 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 9.38 "Ki" "Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.106 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 6.4 "Kd" "Inhibition of specific [3H]prazosin binding (0.2 nM) to rat brain membranes alpha-1 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "yohimbine" 3659 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 8.7 "Ki" "Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.604 "Ki" "PDSP" "Tclin" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.3 "Ki" "Displacement of [3H]RX821002 from human recombinant alpha2C adrenoceptor expressed in CHO cells" "CHEMBL" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=102" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.692 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "yohimbine" 3659 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.02 "IC50" "Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA" "CHEMBL" "=" "Tchem" "Homo sapiens" "yohimbine" 3659 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.8 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from human clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "yohimbine" 3659 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 8.96 "Ki" "Binding affinity against Alpha-1B adrenergic receptor from hamster clones." "CHEMBL" "=" "Tclin" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 5.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 1E" "GPCR" "P28566" "HTR1E" "5HT1E_HUMAN" 5.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "yohimbine" 3659 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 4.52 "IC50" "Inhibition of human recombinant DNA topoisomerase1" "CHEMBL" "=" "Tclin" "Homo sapiens" "yohimbine" 3659 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.182 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "yohimbine" 3659 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 5.91 "IC50" "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "Alpha-2B adrenergic receptor" "GPCR" "P19328" "Adra2b" "ADA2B_RAT" 8.7 "Ki" "Inhibition of [3H]- Yohimbine binding against rat kidney cortex Alpha-2B adrenergic receptor" "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 7.28 "Ki" "Binding affinity against Alpha-1D adrenergic receptor, from rat clones." "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 5.95 "IC50" "In vitro inhibition of specific binding of [3H]-YM 09151-2 to Dopamine receptor D2 site in rat striatal tissue." "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 6.9 "IC50" "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.79 "Ki" "Binding affinity for 5-HT 2A in rat stomach fundus" "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "5-hydroxytryptamine receptor 2B" "GPCR" "P30994" "Htr2b" "5HT2B_RAT" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "yohimbine" 3659 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "P22002" "Cacna1c" "CAC1C_RAT" 7.35 "Ki" "Inhibition of [3H]nitrendipine binding to membrane homogenates of rat cardiac muscle." "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 8.44 "Ki" "Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in bovine pineal" "CHEMBL" "=" "Bos taurus" "yohimbine" 3659 "Alpha-2A adrenergic receptor" "GPCR" "P18871" "ADRA2A" "ADA2A_PIG" 8.36 "Ki" "Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in porcine alpha2-clone" "CHEMBL" "=" "Sus scrofa" "yohimbine" 3659 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 5.61 "Ki" "Tested for binding affinity against dopamine receptor D3 expressed in Sf9 cells." "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "Alpha-2A adrenergic receptor" "GPCR" "Q28838" "ADRA2A" "ADA2A_BOVIN" 7.31 "Ki" "Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]clonidine as the radioligand" "CHEMBL" "=" "Bos taurus" "yohimbine" 3659 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 9.22 "Ki" "Compound was evaluated for inhibition of binding of [3H]-yohimbine to Alpha-2 adrenergic receptor in alpha-2 C4" "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 5.7 "Ki" "In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement." "CHEMBL" "=" "Rattus norvegicus" "yohimbine" 3659 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.48 "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" "yohimbine" 3659 "Alpha-2 adrenergic receptor" "GPCR" "P30545|Q01337|Q01338" "Adra2b|Adra2c|Adra2a" "ADA2B_MOUSE|ADA2C_MOUSE|ADA2A_MOUSE" 9.22 "Ki" "Compound was evaluated for inhibition of binding of [3H]yohimbine to Alpha-2 adrenergic receptor in NG-108 cell" "CHEMBL" "=" "Mus musculus" "yohimbine" 3659 "Dual specificity phosphatase Cdc25A" "Enzyme" "P30304" "CDC25A" "MPIP1_HUMAN" 4.65 "IC50" "Inhibition of His-tagged Cdc25A expressed in the Escherichia coli BL21(DE3) using p-nitrophenyl phosphate as substrate for 80 mins by spectrophotometry" "CHEMBL" "=" "Tchem" "Homo sapiens" "yohimbine" 3659 "5-hydroxytryptamine receptor 1B" "GPCR" "P28334" "Htr1b" "5HT1B_MOUSE" 8.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "yohimbine" 3659 "5-hydroxytryptamine receptor 5A" "GPCR" "P30966" "Htr5a" "5HT5A_MOUSE" 6 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "yohimbine" 3659 "5-hydroxytryptamine receptor 1F" "GPCR" "P30940" "Htr1f" "5HT1F_RAT" 6.2 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "azacyclonol" 3680 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.18 "Ki" "Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cell by Betaplate scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "azacyclonol" 3680 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.85 "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" "benzylsulfamide" 3686 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.67 "Ki" "Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "benzylsulfamide" 3686 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.93 "Ki" "Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "benzylsulfamide" 3686 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 8.66 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "benzylsulfamide" 3686 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 7.7 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "bropirimine" 3689 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 6 "IC50" "Inhibition of C-terminally FLAG-tagged human xanthine oxidase (amino acid 1 to 1333) expressed in baculovirus system after 15 mins by spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "chlorthenoxazine" 3707 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 5.07 "IC50" "The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition" "CHEMBL" "=" "Tclin" "Homo sapiens" "ciramadol" 3713 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2572952" "https://pubmed.ncbi.nlm.nih.gov/2572952" "MODULATOR" "Tclin" "Homo sapiens" "clobenztropine" 3715 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 7.52 "Ki" "Compound was evaluated for its ability to displace [3H]WIN-35428 binding in rat caudate-putamen" "CHEMBL" "=" "Rattus norvegicus" "diperodon" 3734 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.89 "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" "meprylcaine" 3770 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.12 "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" "myrtecaine" 3787 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.316 "Ki" "DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "parethoxycaine" 3805 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 4.62 "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" "tasosartan" 3839 "Angiotensin II receptor (AT-1) type-1" "GPCR" "P25095|P29089" "Agtr1|Agtr1b" "AGTRA_RAT|AGTRB_RAT" 8.92 "IC50" "Compound was evaluated for the in vitro inhibition of specific binding of [125I]-A II to Angiotensin II receptor, type 1 from rat adrenal membranes." "CHEMBL" "=" "Rattus norvegicus" "tasosartan" 3839 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 7.49 "IC50" "Compound was tested for inhibition against Angiotensin II receptor, type 1" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10487332" "ANTAGONIST" "Tclin" "Homo sapiens" "velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.79 "IC50" "Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by modified radiometric AChE assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 6 "IC50" "Inhibition of Acetylcholinesterase in mouse red blood cell" "CHEMBL" "=" "Mus musculus" "velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 6.44 "IC50" "Inhibition of Acetylcholinesterase in rat red blood cell" "CHEMBL" "=" "Rattus norvegicus" "velnacrine" 3848 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 7.22 "IC50" "Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified radiometric assay" "CHEMBL" "=" "Electrophorus electricus" "velnacrine" 3848 "Butyrylcholinesterase" "Enzyme" "Q9N1N9" "BCHE" "Q9N1N9_HORSE" 7.27 "IC50" "Inhibition of (BChE) Butyrylcholinesterase of horse serum" "CHEMBL" "=" "Equus caballus" "dexibuprofen" 3851 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.14 "IC50" "Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexibuprofen" 3851 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.01 "IC50" "Inhibition of COX1 in human HEL 92.1.7 cells assessed as thromboxane B2 production incubated for 30 mins before arachidonic acid addition measured after 15 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexibuprofen" 3851 "Aldo-keto reductase family 1 member C2" "Enzyme" "P52895" "AKR1C2" "AK1C2_HUMAN" 4.37 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexibuprofen" 3851 "Aldo-keto reductase family 1 member C3" "Enzyme" "P42330" "AKR1C3" "AK1C3_HUMAN" 4.49 "IC50" "Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-11-oxa-3a-aza-benzo[de]anthracen-10-one as substrate after 1 hr by fluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexibuprofen" 3851 "Prostaglandin G/H synthase 1" "Enzyme" "P05979" "PTGS1" "PGH1_SHEEP" 5.83 "IC50" "Inhibition of ovine COX1 by EIA" "CHEMBL" "=" "Ovis aries" "dexibuprofen" 3851 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.82 "IC50" "Inhibition of sheep COX2 by spectrophotometry" "CHEMBL" "=" "Ovis aries" "docosanoic acid" 3855 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "docosanoic acid" 3855 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.52 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "docosanoic acid" 3855 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "alitretinoin" 3862 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.52 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" "alitretinoin" 3862 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 6.5 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" "alitretinoin" 3862 "Retinoic acid receptor RXR-beta" "Nuclear hormone receptor" "P28702" "RXRB" "RXRB_HUMAN" 6.7 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" "alitretinoin" 3862 "Retinoic acid receptor RXR-gamma" "Nuclear hormone receptor" "P48443" "RXRG" "RXRG_HUMAN" 6.66 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" "alitretinoin" 3862 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 7.3 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" "alitretinoin" 3862 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 7.13 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL705" "AGONIST" "Tclin" "Homo sapiens" "alitretinoin" 3862 "Nuclear receptor ROR-gamma" "Nuclear hormone receptor" "P51449" "RORC" "RORG_HUMAN" 4.85 "EC50" "Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment" "CHEMBL" "=" "Tchem" "Homo sapiens" "alitretinoin" 3862 "Retinoic acid receptor RXR-beta" "Transcription factor" "P28704" "Rxrb" "RXRB_MOUSE" 7.92 "Kd" "Dissociation constant for binding to Retinoid X receptor beta" "CHEMBL" "=" "Mus musculus" "alitretinoin" 3862 "Retinoic acid receptor RXR-gamma" "Transcription factor" "P28705" "Rxrg" "RXRG_MOUSE" 8.4 "Kd" "Dissociation constant for binding to Retinoid X receptor gamma" "CHEMBL" "=" "Mus musculus" "alitretinoin" 3862 "Retinoic acid receptor alpha" "Transcription factor" "P11416" "Rara" "RARA_MOUSE" 8.15 "Kd" "Dissociation constant for binding to Retinoic acid receptor alpha" "CHEMBL" "=" "Mus musculus" "alitretinoin" 3862 "Retinoic acid receptor RXR-alpha" "Transcription factor" "P28700" "Rxra" "RXRA_MOUSE" 7.49 "Kd" "Dissociation constant for binding to Retinoid X receptor alpha" "CHEMBL" "=" "Mus musculus" "alitretinoin" 3862 "Retinoic acid receptor beta" "Transcription factor" "P22605" "Rarb" "RARB_MOUSE" 8.15 "Kd" "Dissociation constant for binding to Retinoic acid receptor beta" "CHEMBL" "=" "Mus musculus" "alitretinoin" 3862 "Retinoic acid receptor gamma" "Transcription factor" "P18911" "Rarg" "RARG_MOUSE" 7.77 "Kd" "Dissociation constant for binding to Retinoic acid receptor gamma" "CHEMBL" "=" "Mus musculus" "alitretinoin" 3862 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "Q05343" "Rxra" "RXRA_RAT" 6.96 "EC50" "Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation" "CHEMBL" "=" "Rattus norvegicus" "alitretinoin" 3862 "Nuclear receptor subfamily 4 group A member 1" "Nuclear other" "P22736" "NR4A1" "NR4A1_HUMAN" 6.09 "Kd" "Binding affinity to Nur77 Y453A mutant expressed in human BGC823 cells" "CHEMBL" "=" "Tbio" "Homo sapiens" "alitretinoin" 3862 "Oxysterols receptor LXR-beta" "Nuclear other" "P55055" "NR1H2" "NR1H2_HUMAN" 5.76 "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" "alitretinoin" 3862 "Oxysterols receptor LXR-alpha" "Nuclear other" "Q13133" "NR1H3" "NR1H3_HUMAN" 5.96 "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" "artemisinin" 3871 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 5.699 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "benzamycin" 3875 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 7.41 "IC50" "Inhibition of human ERG expressed in HEK cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "benzamycin" 3875 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4.01 "IC50" "Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "benzamycin" 3875 "Motilin receptor" "GPCR" "O43193" "MLNR" "MTLR_HUMAN" 7.36 "IC50" "Compound was tested for in vitro motilin receptor binding affinity" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzamycin" 3875 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 4.4 "IC50" "Inhibition of CYP1B1 (unknown origin) expressed in Escherichia coli DH5alpha coexpressing human NADPH-P450 reductase using 7-Ethoxyresorufin as substrate up to 6 mins in presence of NADP+ by spectrofluorometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzamycin" 3875 "Aldehyde oxidase" "Enzyme" "Q06278" "AOX1" "AOXA_HUMAN" 4.01 "IC50" "Inhibition of aldehyde oxidase in human liver cytosolic fraction using methyl-nicotinamide substrate incubated for 120 mins by HPLC analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "benidipine" 3880 "Voltage-dependent T-type calcium channel subunit alpha-1H" "Ion channel" "O95180" "CACNA1H" "CAC1H_HUMAN" 6.843 "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" "benidipine" 3880 "Voltage-gated L-type calcium channel" "Ion channel" "Q01668|Q13936" "CACNA1D|CACNA1C" "CAC1D_HUMAN|CAC1C_HUMAN" 5.31 "IC50" "Inhibition of human L-type calcium channel Cav1.2 in Xenopus oocyte, measured using 2-electrode voltage-clamp." "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17276408" "BLOCKER" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "benzydamine" 3881 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3" "GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN" 5.99 "EC50" "The cGMP produced by compound was expressed as a ratio between the percentage of the DEA/NO response for the compound" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "biriperone" 3883 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.96 "Ki" "Ability to compete with [3H]YM-09151-2 binding to the human dopamine receptor D3 transfected in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "biriperone" 3883 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.88 "Ki" "CHEMBL" "=" "Rattus norvegicus" "biriperone" 3883 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.62 "Ki" "CHEMBL" "=" "Rattus norvegicus" "biriperone" 3883 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 6.37 "Ki" "CHEMBL" "=" "Rattus norvegicus" "clobetasone butyrate" 3911 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "KEGG DRUG" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D01273" "AGONIST" "Tclin" "Homo sapiens" "clorotepine" 3912 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.17 "Ki" "Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "clorotepine" 3912 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 9.24 "Ki" "Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "clorotepine" 3912 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 8.665 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "clorotepine" 3912 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.372 "Ki" "PDSP" "=" "Tclin" "Homo sapiens" "clorotepine" 3912 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.72 "Ki" "Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "clorotepine" 3912 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 9.398 "Ki" "PDSP" "=" "Tchem" "Homo sapiens" "clorotepine" 3912 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 6.307 "Ki" "PDSP" "Tclin" "Homo sapiens" "clorotepine" 3912 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" 4.13 "IC50" "Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "clorotepine" 3912 "Alpha-1D adrenergic receptor" "GPCR" "P23944" "Adra1d" "ADA1D_RAT" 9.11 "Ki" "Displacement of [3H]prozosin from rat cloned alpha1d receptor" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.3 "Ki" "Half-maximal inhibition of [3H]spiperone binding to Dopamine receptor D2 in rat striatal homogenate" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 9.64 "Ki" "Half-maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2A receptor in rat cerebral cortex homogenate" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 8.64 "Ki" "Half-maximal inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striatal homogenate" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "Alpha-1A adrenergic receptor" "GPCR" "P18130" "ADRA1A" "ADA1A_BOVIN" 9.18 "Ki" "Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in BHK cells" "CHEMBL" "=" "Bos taurus" "clorotepine" 3912 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.62 "Ki" "Half-maximal inhibition of [3H]-7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogenate" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "Alpha-1B adrenergic receptor" "GPCR" "P18841" "ADRA1B" "ADA1B_MESAU" 9.25 "Ki" "Displacement of [3H]prozosin from hamster cloned alpha-1b receptor" "CHEMBL" "=" "Mesocricetus auratus" "clorotepine" 3912 "Dopamine receptor" "GPCR" "P18901|P19020|P25115|P30729|P61169" "Drd1|Drd3|Drd5|Drd4|Drd2" "DRD1_RAT|DRD3_RAT|DRD5_RAT|DRD4_RAT|DRD2_RAT" 8.52 "IC50" "Ability to displace [3H]haloperidol from rat striatal membranes, in order to measure its intrinsic affinity for the dopamine (DA) receptor" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 9.74 "IC50" "Ability to inhibit binding of [3H]PRAZ to alpha-1 adrenergic receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "Serotonin 2 (5-HT2) receptor" "GPCR" "P08909|P14842|P30994" "Htr2c|Htr2a|Htr2b" "5HT2C_RAT|5HT2A_RAT|5HT2B_RAT" 9.24 "IC50" "Ability to inhibit binding of [3H]KET to 5-hydroxytryptamine 2 receptor in rat cortex" "CHEMBL" "=" "Rattus norvegicus" "clorotepine" 3912 "Potassium channel subfamily K member 9" "Ion channel" "Q9NPC2" "KCNK9" "KCNK9_HUMAN" 4.13 "IC50" "Inhibition of human TASK3 expressed in HEK293 cells by Ti+ flux assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone phosphate" 3920 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.3 "IC50" "Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL384467" "AGONIST" "Tclin" "Homo sapiens" "dexamethasone phosphate" 3920 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 9.44 "Ki" "Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexamethasone phosphate" 3920 "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 phosphate" 3920 "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 phosphate" 3920 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.79 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "CHEMBL" "=" "Rattus norvegicus" "dexamethasone phosphate" 3920 "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 phosphate" 3920 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 5.52 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "CHEMBL" "=" "Bos taurus" "dexamethasone phosphate" 3920 "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" "androstanolone" 3927 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 6.27 "IC50" "Binding affinity to GR (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstanolone" 3927 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.44 "IC50" "Binding affinity to MR (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstanolone" 3927 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 9.7 "Ki" "Displacement of [3H]DHT from human androgen receptor expressed in MDA-MB-453 cells by whole cell receptor binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstanolone" 3927 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 5.14 "IC50" "Binding affinity to PR (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstanolone" 3927 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.66 "Ki" "Competitive inhibition of binding to human placental Cytochrome P450 19A1" "CHEMBL" "=" "Tclin" "Homo sapiens" "androstanolone" 3927 "Corticosteroid-binding globulin" "Secreted" "P08185" "SERPINA6" "CBG_HUMAN" 5.92 "Ki" "CHEMBL" "=" "Tbio" "Homo sapiens" "androstanolone" 3927 "Sex hormone-binding globulin" "Secreted" "P04278" "SHBG" "SHBG_HUMAN" 9.74 "Kd" "Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin" "CHEMBL" "=" "Tchem" "Homo sapiens" "androstanolone" 3927 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 9.57 "Ki" "Binding affinity to rat androgen receptor by competitive inhibition assay" "CHEMBL" "=" "Rattus norvegicus" "androstanolone" 3927 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 6.788 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "androstanolone" 3927 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 4.7 "IC50" "Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "androstanolone" 3927 "Androgen receptor" "Transcription factor" "P19091" "Ar" "ANDR_MOUSE" 9 "IC50" "Displacement of [3H] ]5alpha-DHT from mouse androgen receptor expressed in monkey COS7 cells after 2 hrs by scintillation counting analysis" "CHEMBL" "=" "Mus musculus" "androstanolone" 3927 "Progesterone receptor" "Transcription factor" "P06186" "PGR" "PRGR_RABIT" 6.36 "IC50" "Displacement of [3H]progesterone from rabbit PR by liquid scintillation counting" "CHEMBL" "=" "Oryctolagus cuniculus" "androstanolone" 3927 "Mineralocorticoid receptor" "Transcription factor" "P22199" "Nr3c2" "MCR_RAT" 5.68 "IC50" "Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "androstanolone" 3927 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 5.14 "IC50" "Binding affinity to PR (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dolasetron" 3931 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.226 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dolasetron" 3931 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 7.698 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1397053" "https://pubmed.ncbi.nlm.nih.gov/1397053" "ANTAGONIST" "Tclin" "Homo sapiens" "etoposide phosphate" 3944 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "Mechanism of Action; CHEMBL1806; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200645" "INHIBITOR" "Tclin" "Homo sapiens" "guanabenz" 3952 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.824 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "AGONIST" "Tclin" "Homo sapiens" "guanabenz" 3952 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.928 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.951 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.208 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.971 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.167 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "AGONIST" "Tclin" "Homo sapiens" "guanabenz" 3952 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.793 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL420" "AGONIST" "Tclin" "Homo sapiens" "guanabenz" 3952 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.801 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.748 "IC50" "DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 7.05 "EC50" "Agonist activity at human TAAR1 receptor expressed in HEK293T cells cotransfected with beta-2 receptor assessed as cAMP production by BRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 7.46 "Ki" "Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2AR" "CHEMBL" "=" "Tclin" "Homo sapiens" "guanabenz" 3952 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 5.31 "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" "guanabenz" 3952 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 6.122 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "guanabenz" 3952 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 6.41 "IC50" "CHEMBL" "=" "Rattus norvegicus" "guanabenz" 3952 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5.68 "IC50" "CHEMBL" "=" "Rattus norvegicus" "guanabenz" 3952 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 8.77 "IC50" "50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranes" "CHEMBL" "=" "Rattus norvegicus" "hydrocortisone butyrate" 3959 "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/CHEMBL1683" "AGONIST" "Tclin" "Homo sapiens" "ilaprazole" 3961 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11304936" "https://pubmed.ncbi.nlm.nih.gov/11304936" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ivermectin" 3972 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.646 "Ki" "DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.66 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7 "IC50" "WOMBAT-PK" "=" "Tchem" "Homo sapiens" "ivermectin" 3972 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.407 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.125 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.924 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.891 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.586 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.244 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.451 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.539 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "ivermectin" 3972 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.1 "EC50" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tchem" "Homo sapiens" "ivermectin" 3972 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 6.59 "IC50" "Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ivermectin" 3972 "Glycine Receptor" "Ion channel" "P23415|P23416|O75311|P48167" "GLRA1|GLRA2|GLRA3|GLRB" "GLRA1_HUMAN|GLRA2_HUMAN|GLRA3_HUMAN|GLRB_HUMAN" 6.4 "EC50" "IUPHAR" "=" "AGONIST" "Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin|Tchem|Tchem|Tclin|Tclin" "Homo sapiens" "ivermectin" 3972 "Glutamate-gated chloride channel" "Ion channel" "P91730" "GLUCB_HAECO" "Mechanism of Action; CHEMBL2363050; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "MODULATOR" "Haemonchus contortus" "ivermectin" 3972 "Glutamate-gated chloride channel" "Ion channel" "Q25634" "GluClX" "Q25634_ONCVO" "Mechanism of Action; CHEMBL2363051; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200633" "MODULATOR" "Onchocerca volvulus" "ivermectin" 3972 "Sarcoplasmic/endoplasmic reticulum calcium ATPase 2" "Enzyme" "P11507" "Atp2a2" "AT2A2_RAT" 5.17 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ivermectin" 3972 "Sodium/potassium-transporting ATPase subunit alpha-1" "Enzyme" "P06685" "Atp1a1" "AT1A1_RAT" 5.08 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ivermectin" 3972 "Sarcoplasmic/endoplasmic reticulum calcium ATPase 1" "Enzyme" "Q64578" "Atp2a1" "AT2A1_RAT" 4.77 "IC50" "CHEMBL" "=" "Rattus norvegicus" "ivermectin" 3972 "P2X purinoceptor 4" "Unclassified" "P51577" "P2rx4" "P2RX4_RAT" 6.6 "EC50" "IUPHAR" "~" "ALLOSTERIC MODULATOR" "Rattus norvegicus" "kinetin" 3976 "Endochitinase" "Enzyme" "P29029" "CTS1" "CHIT_YEAST" 5.49 "Ki" "Inhibition of Saccharomyces cerevisiae CTS1" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "kojic acid" 3977 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 5.13 "IC50" "Inhibition of Tyrosinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "kojic acid" 3977 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4.65 "Ki" "Inhibition of mashroom tyrosinase" "CHEMBL" "=" "Agaricus bisporus" "kojic acid" 3977 "D-amino-acid oxidase" "Enzyme" "P14920" "DAO" "OXDA_HUMAN" 5.7 "IC50" "Inhibition of human recombinant DAAO expressed in HEK293 cell lysate assessed as D-Serine conversion to H2O2 after 20 mins by spectrophotometric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "kojic acid" 3977 "D-amino-acid oxidase" "Unclassified" "P00371" "DAO" "OXDA_PIG" 4.68 "Ki" "Competitive inhibition of pig kidney DAAO using D-Alanine as substrate by Michaelis-Menten plot analysis" "CHEMBL" "=" "Sus scrofa" "kojic acid" 3977 "Tyrosinase" "Enzyme" "P11344" "Tyr" "TYRO_MOUSE" 4.21 "IC50" "Inhibition of catecholase activity of tyrosinase in mouse B16 cells assessed as dopachrome formation" "CHEMBL" "=" "Mus musculus" "kojic acid" 3977 "Polymerase acidic protein" "Enzyme" "P03433" "PA" "PA_I34A1" 4.91 "IC50" "Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FAM fluorophore/3'-TAMRA quencher)-labeled 17-mer ssDNA-oligomer substrate measured over 45 mins by FRET analysis" "CHEMBL" "=" "Tclin" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "kojic acid" 3977 "Tyrosinase" "Unclassified" "B2ZB02" "B2ZB02_BACME" 4.28 "IC50" "Inhibition of Bacillus megaterium tyrosinase diphenolase activity using L-DOPA as substrate by spectrophotometric method" "CHEMBL" "=" "Bacillus megaterium" "kojic acid" 3977 "Polymerase acidic protein" "Unclassified" "P03433" "PA" "PA_I34A1" 4.91 "IC50" "Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FAM fluorophore/3'-TAMRA quencher)-labeled 17-mer ssDNA-oligomer substrate measured over 45 mins by FRET analysis" "CHEMBL" "=" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "kojic acid" 3977 "Polyphenol oxidase 1" "Enzyme" "Q00024" "PPO1" "PPO1_AGABI" 4.82 "IC50" "Inhibition Assay: Reader: Synergy HT program: tyrosinase 280-490 kinetics: kinetics over 45 minutes, reading at t=10 minutes, Tests in transparent 96-well plates, Phosphate buffer (pH 6.8), Enzyme: mushroom tyrosinase (T-3824, Sigma), Substrate: L-tyrosine (T-3754, Sigma), Positive control: Kojic acid (KA) (60890, Fluka) (reference inhibitor). Reference Molecules for the Test: Kojic acid: 9 μM1A receptors against [3H]8-OH-DPAT (DPAT)" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1615374" "AGONIST" "Tclin" "Homo sapiens" "vilazodone" 4223 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.41 "Ki" "Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method" "CHEMBL" "=" "Tclin" "Homo sapiens" "vilazodone" 4223 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.15 "IC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "vilazodone" 4223 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.5 "IC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "vilazodone" 4223 "5-hydroxytryptamine receptor 4" "GPCR" "Q13639" "HTR4" "5HT4R_HUMAN" 6.6 "IC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "vilazodone" 4223 "5-hydroxytryptamine receptor 1B" "GPCR" "P28564" "Htr1b" "5HT1B_RAT" 5.3 "IC50" "Inhibition of rat hydroxytryptamine 1B receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 6.18 "IC50" "Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 9.52 "IC50" "Inhibition of 8-OH DPAT binding to rat hydroxytryptamine 1A receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 9.3 "IC50" "Inhibition of [3H]5-HT re-uptake in rat synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 5.82 "IC50" "Inhibition of rat hydroxytryptamine 2A receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 5.52 "IC50" "Inhibition of rat hydroxytryptamine 7 receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 4.67 "IC50" "Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate after 20 mins by by Ellman's method" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "5-hydroxytryptamine receptor 2C" "GPCR" "P08909" "Htr2c" "5HT2C_RAT" 5.7 "IC50" "Inhibition of rat hydroxytryptamine 2C receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "5-hydroxytryptamine receptor 4" "GPCR" "Q62758" "Htr4" "5HT4R_RAT" 6.6 "IC50" "Inhibition of rat hydroxytryptamine 4 receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 7.15 "IC50" "Inhibition of rat dopamine D3 receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 5.4 "IC50" "Inhibition of rat hydroxytryptamine 1D receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 5.47 "IC50" "Inhibition of rat dopamine D4 receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 5.52 "IC50" "Inhibition of rat hydroxytryptamine 6 receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "Serotonin 3 (5-HT3) receptor" "Ion channel" "P35563|Q9JJ16" "Htr3a|Htr3b" "5HT3A_RAT|5HT3B_RAT" 5.37 "IC50" "Inhibition against rat hydroxytryptamine 3 receptor" "CHEMBL" "=" "Rattus norvegicus" "vilazodone" 4223 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" 5.22 "IC50" "Inhibition of alpha-2-adrenergic receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vilazodone" 4223 "Adrenergic receptor alpha-1" "GPCR" "P25100|P35348|P35368" "ADRA1D|ADRA1A|ADRA1B" "ADA1D_HUMAN|ADA1A_HUMAN|ADA1B_HUMAN" 5.7 "IC50" "Inhibition of alpha-1-adrenergic receptor" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vilazodone" 4223 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 5.41 "Ki" "Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHO cell membranes incubated for 120 mins by scintillation counting method" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.51 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 9.24 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8.82 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.31 "Kd" "Binding constant for KIT(V559D) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.64 "Kd" "Binding constant for EGFR(G719C) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.57 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.57 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.51 "Kd" "Binding constant for FLT3(K663Q) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 8.24 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "INHIBITOR" "Tclin" "Homo sapiens" "axitinib" 4225 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.23 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "INHIBITOR" "Tclin" "Homo sapiens" "axitinib" 4225 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 6.77 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1289926" "INHIBITOR" "Tclin" "Homo sapiens" "axitinib" 4225 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.68 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 9.29 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.41 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.68 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.96 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.74 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.48 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.89 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.96 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 6.51 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.92 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.09 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.42 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.92 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 8.38 "Ki" "Inhibition of human PLK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 8.89 "Kd" "Binding constant for AURKC kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.43 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 5.41 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 7.15 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.96 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 6.74 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.74 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 7.14 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 6.26 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 5.25 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 5.57 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.28 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 5.85 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.22 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.82 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 5.85 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 6.47 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 5.57 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 5.59 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 5.92 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.38 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.57 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 5.66 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 5.89 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.8 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.44 "Kd" "Binding constant for TYK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 5.59 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.92 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 7.01 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.62 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 5.55 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 6 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 5.74 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Activin receptor type-2B" "Kinase" "Q13705" "ACVR2B" "AVR2B_HUMAN" 5.28 "Kd" "Binding constant for ACVR2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 5.44 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 5.28 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 6.48 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 5.92 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 7.96 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 5.51 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.46 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.49 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.52 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase MRCK beta" "Kinase" "Q9Y5S2" "CDC42BPB" "MRCKB_HUMAN" 5.32 "Kd" "Binding constant for MRCKB kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Myosin-IIIa" "Kinase" "Q8NEV4" "MYO3A" "MYO3A_HUMAN" 5.72 "Kd" "Binding constant for MYO3A kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.35 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 5.68 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Dual specificity testis-specific protein kinase 1" "Kinase" "Q15569" "TESK1" "TESK1_HUMAN" 5.37 "Kd" "Binding constant for TESK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.13 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 5.6 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.49 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "axitinib" 4225 "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" "axitinib" 4225 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.25 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 6.28 "Kd" "Binding constant for CDKL2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.44 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.64 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 5.82 "Kd" "Binding constant for HUNK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.51 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 5.55 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.64 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 5 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 6.17 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 6.57 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.85 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 5.54 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "axitinib" 4225 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 5.77 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.85 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 5.77 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "axitinib" 4225 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.04 "Kd" "Binding constant for LRRK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "ingenol mebutate" 4226 "Protein kinase C gamma type" "Kinase" "P05129" "PRKCG" "KPCG_HUMAN" 9.79 "Ki" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "ingenol mebutate" 4226 "Protein kinase C beta type" "Kinase" "P05771" "PRKCB" "KPCB_HUMAN" 6.836 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15126366" "Homo sapiens" "ingenol mebutate" 4226 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 6.197 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15126366" "Tchem" "Homo sapiens" "ingenol mebutate" 4226 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 8.959 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15126366" "Tchem" "Homo sapiens" "ingenol mebutate" 4226 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 7.523 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15126366" "Tchem" "Homo sapiens" "ingenol mebutate" 4226 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 8.328 "EC50" "Colo-205 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15126366" "https://pubmed.ncbi.nlm.nih.gov/15126366" "ACTIVATOR" "Tclin" "Homo sapiens" "vismodegib" 4227 "Sonic hedgehog protein" "Enzyme" "Q62226" "Shh" "SHH_MOUSE" 8.52 "IC50" "Inhibition of SHH in mouse Shh Light2 cells by GLI-responsive firefly luciferase reporter gene assay" "CHEMBL" "=" "Mus musculus" "vismodegib" 4227 "Sonic hedgehog protein" "Enzyme" "Q15465" "SHH" "SHH_HUMAN" 7.82 "IC50" "Inhibition of human SHH pathway in mouse S12 cells assessed as GLI-mediated transcriptional activity after 48 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "vismodegib" 4227 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 7.79 "Ki" "Displacement of [3H]cyclopamine from wild type Smo expressed in U2OS cells after 2 hrs by scintillation counting" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL473417" "INHIBITOR" "Tclin" "Homo sapiens" "vismodegib" 4227 "Smoothened homolog" "GPCR" "P56726" "Smo" "SMO_MOUSE" 8.3 "IC50" "Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay" "CHEMBL" "=" "Mus musculus" "ivacaftor" 4228 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 8.52 "EC50" "Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2010601" "POSITIVE MODULATOR" "Tclin" "Homo sapiens" "tafluprost" 4229 "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/CHEMBL1963683" "AGONIST" "Tclin" "Homo sapiens" "peginesatide" 4234 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" 10.43 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/202799s001lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "avobenzone" 4242 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" "Mechanism of Action; CHEMBL1973; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200522" "INHIBITOR" "Tclin" "Homo sapiens" "neomycin" 4247 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" 6.4 "IC50" "Inhibition of TRPV1-mediated membrane currents in human DRG neurons" "CHEMBL" "=" "Tclin" "Homo sapiens" "neomycin" 4247 "Lethal factor" "Enzyme" "P15917" "lef" "LEF_BACAN" 6.3 "Ki" "Inhibition of anthrax lethal factor metalloprotease" "CHEMBL" "=" "Bacillus anthracis" "neomycin" 4247 "Lecithin retinol acyltransferase" "Enzyme" "O95237" "LRAT" "LRAT_HUMAN" 4.83 "IC50" "Compound tested in vitro for inhibition of translation using highly active Escherichia coli S30 and a plasmid containing a gene expressing truncated lecithin retinol acyltransferase" "CHEMBL" "=" "Tbio" "Homo sapiens" "neomycin" 4247 "Menin" "Unclassified" "O00255" "MEN1" "MEN1_HUMAN" 4.81 "Kd" "Binding affinity to menin (unknown origin) by isothermal titration calorimetry analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "neomycin" 4247 "Extracellular calcium-sensing receptor" "GPCR" "P48442" "Casr" "CASR_RAT" 4 "Kd" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "pyrithione zinc" 4248 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.21 "Ki" "Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "O43526" "KCNQ2" "KCNQ2_HUMAN" 5.8 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.76 "Ki" "Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.27 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Potassium voltage-gated channel subfamily KQT member 1" "Ion channel" "P51787" "KCNQ1" "KCNQ1_HUMAN" 5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.29 "Ki" "Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.45 "Ki" "Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.11 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Potassium voltage-gated channel subfamily KQT member 5" "Ion channel" "Q9NR82" "KCNQ5" "KCNQ5_HUMAN" 5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.79 "Ki" "Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.62 "Ki" "Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.54 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Potassium voltage-gated channel subfamily KQT member 4" "Ion channel" "P56696" "KCNQ4" "KCNQ4_HUMAN" 5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "pyrithione zinc" 4248 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.38 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "bismuth subsalicylate" 4257 "Cyclooxygenase" "Enzyme" "P23219|P35354" "PTGS1|PTGS2" "PGH1_HUMAN|PGH2_HUMAN" "Mechanism of Action; CHEMBL2094253; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1120" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "thymol" 4258 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 5.22 "EC50" "Activation of human TRPA1 assessed as stimulation of intracellular Ca2+ levels" "CHEMBL" "=" "Tclin" "Homo sapiens" "thymol" 4258 "Transient receptor potential cation channel subfamily M member 8" "Ion channel" "Q8R455" "Trpm8" "TRPM8_RAT" 4.28 "EC50" "Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels" "CHEMBL" "=" "Rattus norvegicus" "thymol" 4258 "Heat sensitive channel TRPV3" "Unclassified" "Q4QYD9" "" "Q4QYD9_RAT" 4.54 "EC50" "Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentration by Fluo-4AM dye-based spectrofluorometry" "CHEMBL" "=" "Rattus norvegicus" "sulfur" 4260 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.4 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfur" 4260 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.22 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "carbamide" 4264 "Olfactory receptor 51E2" "GPCR" "Q9H255" "OR51E2" "O51E2_HUMAN" 7.64 "EC50" "Agonist activity at PSGR/OR51E2 (unknown origin) expressed in human Hana3A cells co-transfected with CRE-Luc by luciferase reporter gene assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "gentamicin" 4265 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 4.74 "IC50" "Inhibition of human DHFR after 2 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "gentamicin" 4265 "Dihydrofolate reductase" "Enzyme" "P00376" "DHFR" "DYR_BOVIN" 4.6 "IC50" "Inhibition of bovine DHFR after 2 mins" "CHEMBL" "=" "Bos taurus" "gentamicin" 4265 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "Q8BLA8" "Trpa1" "TRPA1_MOUSE" 5.2 "IC50" "IUPHAR" "=" "GATING INHIBITOR" "Mus musculus" "phenol" 4266 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.26 "Ki" "Inhibition of human CA2 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenol" 4266 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5 "Ki" "Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenol" 4266 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.02 "Ki" "Inhibition of human CA4 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenol" 4266 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.06 "Ki" "Inhibition of human CA9 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenol" 4266 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.04 "Ki" "Inhibition of human CA12 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenol" 4266 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.57 "Ki" "Inhibition of human CA3 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenol" 4266 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 4.94 "Ki" "Inhibition of human CA14 by stopped-flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "phenol" 4266 "Endolysin" "Enzyme" "P00720" "E" "ENLYS_BPT4" 4.04 "Kd" "Dissociation constant against T4 lysozyme mutant L99A/M102Q" "CHEMBL" "=" "Enterobacteria phage T4" "phenol" 4266 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 4.98 "Ki" "Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "phenol" 4266 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.76 "Ki" "Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "phenol" 4266 "Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase); Transmembrane carbonic anhydrase" "Enzyme" "P96878" "P96878_MYCTU" 4.1 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "phenol" 4266 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 4.59 "Ki" "Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "phenol" 4266 "Carbonic anhydrase" "Enzyme" "Q2PCB5" "ca" "Q2PCB5_DICLA" 4.86 "Ki" "Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "Dicentrarchus labrax" "phenol" 4266 "Beta-carbonic anhydrase 1" "Enzyme" "P9WPJ7" "mtcA1" "MTCA1_MYCTU" 4.19 "Ki" "Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "arbutin" 4267 "Tyrosinase" "Enzyme" "P14679" "TYR" "TYRO_HUMAN" 4.52 "IC50" "Inhibition of tyrosinase in Melan-a cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "arbutin" 4267 "Polyphenol oxidase 2" "Enzyme" "O42713" "PPO2" "PPO2_AGABI" 4 "IC50" "Inhibition of mushroom tyrosinase using L-tyrosine as a substrate after 30 mins by spectrophotometric method" "CHEMBL" "=" "Agaricus bisporus" "arbutin" 4267 "Tyrosinase" "Enzyme" "P11344" "Tyr" "TYRO_MOUSE" 4.52 "IC50" "Inhibition of tyrosinase in mouse Melan-a cells by ELISA" "CHEMBL" "=" "Mus musculus" "piperonyl butoxide" 4276 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 5.52 "IC50" "null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs." "CHEMBL" "=" "Tclin" "Homo sapiens" "piperonyl butoxide" 4276 "Cytochrome P450" "Enzyme" "E0V9R7|E0VAD1|E0VBK5|E0VCA5|E0VCW8|E0VCW9|E0VDM3|E0VDR0|E0VED4|E0VGV6|E0VHL8|E0VHZ1|E0VJJ0|E0VM29|E0VMV6|E0VMV7|E0VMW9|E0VQ45|E0VQ46|E0VQ47|E0VRD2|E0VSD4|E0VSD5|E0VUR0|E0VUR1|E0VV39|E0VV52|E0VV70|E0VV72|E0VXT9|E0VZW4|E0W115|E0W2B1|E0W389|E0W4F7" "E0V9R7_PEDHC|E0VAD1_PEDHC|E0VBK5_PEDHC|E0VCA5_PEDHC|E0VCW8_PEDHC|E0VCW9_PEDHC|E0VDM3_PEDHC|E0VDR0_PEDHC|E0VED4_PEDHC|E0VGV6_PEDHC|E0VHL8_PEDHC|E0VHZ1_PEDHC|E0VJJ0_PEDHC|E0VM29_PEDHC|E0VMV6_PEDHC|E0VMV7_PEDHC|E0VMW9_PEDHC|E0VQ45_PEDHC|E0VQ46_PEDHC|E0VQ47_PEDHC|E0VRD2_PEDHC|E0VSD4_PEDHC|E0VSD5_PEDHC|E0VUR0_PEDHC|E0VUR1_PEDHC|E0VV39_PEDHC|E0VV52_PEDHC|E0VV70_PEDHC|E0VV72_PEDHC|E0VXT9_PEDHC|E0VZW4_PEDHC|E0W115_PEDHC|E0W2B1_PEDHC|E0W389_PEDHC|E0W4F7_PEDHC" "Mechanism of Action; CHEMBL2364702; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201131" "INHIBITOR" "Pediculus humanus subsp. corporis" "tapentadol" 4283 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.018 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201777" "AGONIST" "Tclin" "Homo sapiens" "tapentadol" 4283 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.319 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201777" "INHIBITOR" "Tclin" "Homo sapiens" "tapentadol" 4283 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.66 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "tapentadol" 4283 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.66 "IC50" "Inhibition of human OCT1 expressed in HEK293 cells assessed as reduction in ASP+ substrate uptake by microplate reader based analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "Florbetapir F-18" 4285 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 8.54 "Ki" "CHEMBL" "=" "Homo sapiens" "doconexent" 4289 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.48 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "Tclin" "Homo sapiens" "doconexent" 4289 "Retinoic acid receptor RXR-alpha" "Nuclear hormone receptor" "P19793" "RXRA" "RXRA_HUMAN" 5.2 "Ki" "Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "doconexent" 4289 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 6 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "doconexent" 4289 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 5.01 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "Ovis aries" "doconexent" 4289 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.82 "IC50" "Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "Bos taurus" "doconexent" 4289 "Oxoeicosanoid receptor 1" "GPCR" "Q8TDS5" "OXER1" "OXER1_HUMAN" 5.7 "IC50" "Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibition of 5-oxo-ETE-induced GTPgammaS binding after 60 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "doconexent" 4289 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "Q6RI86" "Trpa1" "TRPA1_RAT" 4.4 "EC50" "Patch clamp" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" "doconexent" 4289 "Retinoic acid receptor RXR-alpha" "Nuclear other" "P19793" "RXRA" "RXRA_HUMAN" 5.2 "Ki" "Displacement of CU-6PMN from human RXRalpha LBD incubated for 2 hrs by fluorescence based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "potassium iodide" 4296 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.1 "Ki" "Inhibition of human carbonic anhydrase 4 by Lineweaver-Burk curves" "CHEMBL" "=" "Tclin" "Homo sapiens" "apixaban" 4298 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 5.51 "Ki" "Inhibition of human thrombin" "CHEMBL" "=" "Tclin" "Homo sapiens" "apixaban" 4298 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 10.1 "Ki" "Inhibition of human factor 10a" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL231779" "INHIBITOR" "Tclin" "Homo sapiens" "apixaban" 4298 "Coagulation factor X" "Enzyme" "O19045" "F10" "FA10_RABIT" 9.77 "Ki" "Binding affinity to rabbit F10a" "CHEMBL" "=" "Oryctolagus cuniculus" "cobicistat" 4299 "Cytochrome P450 3A" "Enzyme" "P08684|P20815|P24462|Q9HB55" "CYP3A4|CYP3A5|CYP3A7|CYP3A43" "CP3A4_HUMAN|CP3A5_HUMAN|CP3A7_HUMAN|CP343_HUMAN" 6.027 "Ki" "Inactivation of Human Hepatic Microsomal CYP3A-Dependent Midazolam 1'-Hydroxylase Activity" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24900196" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/203094s005lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "elvitegravir" 4300 "Gag-Pol polyprotein" "Polyprotein" "P03367" "gag-pol" "POL_HV1BR" 8 "IC50" "WOMBAT-PK" "=" "Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI)" "elvitegravir" 4300 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 8.14 "IC50" "Inhibition of recombinant HIV1 integrase strand transfer activity" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL204656" "INHIBITOR" "Human immunodeficiency virus 1" "elvitegravir" 4300 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 4.04 "IC50" "Inhibition of HIV1 RNase H function of recombinant reverse transcriptase using an 18-nt 3'-fluorescein-labeled RNA annealed to complementary 18-nt 5'-dabsyl-labeled DNA as substrate after 10 mins by fluorescence spectrometer analysis" "CHEMBL" "=" "Human immunodeficiency virus 1" "elvitegravir" 4300 "Integrase" "Enzyme" "Q76353" "Q76353_9HIV1" 8.75 "IC50" "Inhibition of HIV1 integrase" "CHEMBL" "=" "Human immunodeficiency virus 1" "Flutemetamol (18F)" 4301 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 9.15 "Ki" "Binding affinity to human amyloid beta plaque" "CHEMBL" "=" "Homo sapiens" "glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.69 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201027" "ANTAGONIST" "Tclin" "Homo sapiens" "glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.25 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7459" "ANTAGONIST" "Tclin" "Homo sapiens" "glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.64 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201027" "ANTAGONIST" "Tclin" "Homo sapiens" "glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.06 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7459" "ANTAGONIST" "Tclin" "Homo sapiens" "glycopyrronium bromide" 4302 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.91 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Public_assessment_report/human/002430/WC500133771.pdf" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7459" "ANTAGONIST" "Tclin" "Homo sapiens" "eslicarbazepine acetate" 4303 "Sodium channel alpha subunit" "Ion channel" "P35498|P35499|Q01118|Q14524|Q15858|Q99250|Q9NY46|Q9UI33|Q9UQD0|Q9Y5Y9" "SCN1A|SCN4A|SCN7A|SCN5A|SCN9A|SCN2A|SCN3A|SCN11A|SCN8A|SCN10A" "SCN1A_HUMAN|SCN4A_HUMAN|SCN7A_HUMAN|SCN5A_HUMAN|SCN9A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN|SCNBA_HUMAN|SCN8A_HUMAN|SCNAA_HUMAN" "Mechanism of Action; CHEMBL2331043; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL87992" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "dapagliflozin" 4304 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 9.3 "IC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=4594" "INHIBITOR" "Tclin" "Homo sapiens" "dapagliflozin" 4304 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 8.49 "IC50" "Inhibition of human SGLT2 expressed in african green monkey COS7 cells assessed as inhibition of [14C]-methyl-alpha-D-glucopyranoside uptake after 2 hrs by scintillation counting in presence of 25 % human plasma" "CHEMBL" "=" "Tclin" "Homo sapiens" "dapagliflozin" 4304 "Sodium/glucose cotransporter 2" "Transporter" "P53792" "Slc5a2" "SC5A2_RAT" 8.52 "EC50" "Inhibition of rat SGLT2 expressed in CHO cells assessed as inhibition of [14C]AMG accumulation" "CHEMBL" "=" "Rattus norvegicus" "dapagliflozin" 4304 "Sodium/myo-inositol cotransporter 2" "Transporter" "Q8WWX8" "SLC5A11" "SC5AB_HUMAN" 6.42 "IC50" "Inhibition of SGLT6 expressed in CHO cells assessed as inhibition of [14C]-alpha-methyl-D-glucopyranoside transport after 60 mins by scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "dapagliflozin" 4304 "Low affinity sodium-glucose cotransporter" "Transporter" "Q9NY91" "SLC5A4" "SC5A4_HUMAN" 8.87 "IC50" "Inhibition of human SGLT2 expressed in CHO cells using methyl-alpha-D-glucopyranoside by liquid scintillation counting" "CHEMBL" "=" "Tchem" "Homo sapiens" "avanafil" 4305 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 8.284 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1963681" "INHIBITOR" "Tclin" "Homo sapiens" "avanafil" 4305 "Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'" "Enzyme" "P51160" "PDE6C" "PDE6C_HUMAN" 6.201 "IC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "avanafil" 4305 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O77746" "PDE5A" "PDE5A_CANFA" 8.28 "IC50" "CHEMBL" "=" "Canis familiaris" "lasofoxifene" 4308 "Estrogen receptor" "Transcription factor" "P06211|Q62986" "Esr1|Esr2" "ESR1_RAT|ESR2_RAT" 7.95 "IC50" "Inhibition of estradiol binding to estrogen receptor" "CHEMBL" "=" "Rattus norvegicus" "lasofoxifene" 4308 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.89 "IC50" "Binding affinity for human estrogen receptor alpha" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12825935" "AGONIST" "Tclin" "Homo sapiens" "lasofoxifene" 4308 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.74 "IC50" "Binding affinity for human estrogen receptor beta" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12825935" "AGONIST" "Tclin" "Homo sapiens" "lacosamide" 4310 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 6.74 "IC50" "Binding affinity to human inactivated voltage-gated Na channel 1.7 expressed in HEK293 cells by patch-clamp technique" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL58323" "BLOCKER" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.48 "Ki" "Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.44 "Ki" "Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 6.28 "Ki" "Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 6.45 "Ki" "Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.43 "Ki" "Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.34 "Ki" "Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 6.47 "Ki" "Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.35 "Ki" "Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 6.43 "Ki" "Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 6.39 "Ki" "Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 6.33 "Ki" "Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Sodium channel protein type 2 subunit alpha" "Ion channel" "P04775" "Scn2a" "SCN2A_RAT" 4.52 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "lacosamide" 4310 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.92 "Ki" "Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lacosamide" 4310 "Carbonic anhydrase 15" "Enzyme" "Q99N23" "Ca15" "CAH15_MOUSE" 6.34 "Ki" "Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Mus musculus" "lacosamide" 4310 "Sodium channel protein type 3 subunit alpha" "Ion channel" "P08104" "Scn3a" "SCN3A_RAT" 6.38 "IC50" "Binding affinity to rat inactivated voltage-gated Na channel 1.3 expressed in human HEK293 cells by patch-clamp technique" "CHEMBL" "=" "Rattus norvegicus" "lacosamide" 4310 "Dihydropyrimidinase-related protein 2" "Enzyme" "Q16555" "DPYSL2" "DPYL2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "lacosamide" 4310 "Sodium channel protein type X alpha subunit" "Ion channel" "Q62968" "Scn10a" "SCNAA_RAT" 4.8 "IC50" "Binding affinity to voltage-gated Na channel 1.8 in Sprague-Dawley rat L4/L5 DRG neurons by patch-clamp technique" "CHEMBL" "=" "Rattus norvegicus" "aceclidine" 4314 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "aceclidine" 4314 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.7 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "aceclidine" 4314 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.1 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "aceclidine" 4314 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 4.8 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "aceclidine" 4314 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.1 "EC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "aceclidine" 4314 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 6.92 "IC50" "Binding affinity for muscarinic acetylcholine receptor M1 using [3H]oxotremorine-M (Oxo-M) radioligand in rat hippocampus membranes" "CHEMBL" "=" "Rattus norvegicus" "aceclidine" 4314 "Muscarinic acetylcholine receptor" "GPCR" "P08482|P08483|P08485|P08911|P10980" "Chrm1|Chrm3|Chrm4|Chrm5|Chrm2" "ACM1_RAT|ACM3_RAT|ACM4_RAT|ACM5_RAT|ACM2_RAT" 5.08 "Ki" "Binding affinity against muscarinic acetylcholine receptor from rat brain crude membrane, using [3H]-NMS (N-Methylscopolamine) as the radioligand." "CHEMBL" "=" "Rattus norvegicus" "euflavine" 4317 "Hypoxia-inducible factor 1-alpha" "Transcription factor" "Q16665" "HIF1A" "HIF1A_HUMAN" 6 "IC50" "Inhibition of HIF-1 dimerization in HEK293 cells after 24 hrs by renilla luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "euflavine" 4317 "ORF 73" "Unclassified" "O40947" "O40947_HHV8" 6.38 "AC50" "Active" "CHEMBL" "=" "Human herpesvirus 8" "euflavine" 4317 "Hypoxia-inducible factor 1-alpha" "Transcription factor" "Q16665" "HIF1A" "HIF1A_HUMAN" 6 "IC50" "Inhibition of HIF-1 dimerization in HEK293 cells after 24 hrs by renilla luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.64 "Kd" "Binding constant for ABL1(F317L)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "afatinib" 4318 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 10 "Kd" "Binding constant for EGFR(G719C) kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "INHIBITOR" "Tclin" "Homo sapiens" "afatinib" 4318 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.55 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "afatinib" 4318 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.24 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "afatinib" 4318 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.85 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "afatinib" 4318 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.3 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "INHIBITOR" "Tclin" "Homo sapiens" "afatinib" 4318 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 6.33 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.66 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "afatinib" 4318 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 8.2 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1173655" "INHIBITOR" "Tclin" "Homo sapiens" "afatinib" 4318 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.7 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.66 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "afatinib" 4318 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 5.89 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.37 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.64 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.47 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 5.89 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.89 "Kd" "Binding constant for p38-alpha kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.85 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 7.1 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.57 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 5.43 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.8 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.68 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 5.28 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.51 "Kd" "Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.51 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.55 "Kd" "Binding constant for DYRK1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 5.74 "Kd" "Binding constant for MKNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.66 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.54 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "afatinib" 4318 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 6.01 "Kd" "Binding constant for DYRK1A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Dual specificity tyrosine-phosphorylation-regulated kinase 2" "Kinase" "Q92630" "DYRK2" "DYRK2_HUMAN" 5.74 "Kd" "Binding constant for DYRK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.51 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.44 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.62 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 5.35 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "afatinib" 4318 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 5.32 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "afatinib" 4318 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 5.89 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "azilsartan medoxomil" 4322 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 8.13 "IC50" "" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103795" "ANTAGONIST" "Tclin" "Homo sapiens" "azilsartan medoxomil" 4322 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 6.38 "IC50" "CHEMBL" "=" "Bos taurus" "laropiprant" 4326 "Prostaglandin E2 receptor EP1 subtype" "GPCR" "P34995" "PTGER1" "PE2R1_HUMAN" 5.94 "Ki" "Binding affinity to human EP1 receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "laropiprant" 4326 "Prostaglandin D2 receptor 2" "GPCR" "Q9Y5Y4" "PTGDR2" "PD2R2_HUMAN" 6.13 "Ki" "Activity at CRTH2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "laropiprant" 4326 "Prostaglandin E2 receptor EP3 subtype" "GPCR" "P43115" "PTGER3" "PE2R3_HUMAN" 6.05 "Ki" "Binding affinity to human EP3 receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "laropiprant" 4326 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 5.18 "Ki" "Binding affinity to human IP receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "laropiprant" 4326 "Thromboxane A2 receptor" "GPCR" "P21731" "TBXA2R" "TA2R_HUMAN" 8.53 "Ki" "Binding affinity to human TP receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "laropiprant" 4326 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 6.87 "Ki" "Binding affinity to human EP2 receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "laropiprant" 4326 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 5 "Ki" "Binding affinity to human FP receptor expressed in HEK293 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "laropiprant" 4326 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 10.52 "Kd" "Binding affinity to human DP receptor expressed in HEK293 cells" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17300164" "ANTAGONIST" "Tclin" "Homo sapiens" "pasireotide" 4329 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" "pasireotide" 4329 "Somatostatin receptor type 3" "GPCR" "P32745" "SSTR3" "SSR3_HUMAN" 8.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" "pasireotide" 4329 "Somatostatin receptor type 5" "GPCR" "P35346" "SSTR5" "SSR5_HUMAN" 9.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" "pasireotide" 4329 "Somatostatin receptor type 1" "GPCR" "P30872" "SSTR1" "SSR1_HUMAN" 8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL3039583" "AGONIST" "Tclin" "Homo sapiens" "pasireotide" 4329 "Somatostatin receptor type 2" "GPCR" "P30680" "Sstr2" "SSR2_RAT" 9.07 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "bazedoxifene" 4334 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 9.22 "IC50" "Inhibition of binding to recombinant human ERalpha by scintillation proximity assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46740" "MODULATOR" "Tclin" "Homo sapiens" "bazedoxifene" 4334 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 8.42 "IC50" "Inhibition of binding to recombinant human ERbeta by scintillation proximity assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL46740" "MODULATOR" "Tclin" "Homo sapiens" "amifampridine" 4336 "Voltage-gated potassium channel" "Ion channel" "O43525|O43526|O95259|P16389|P17658|P22001|P22459|P22460|P48547|P51787|P56696|Q03721|Q09470|Q12809|Q14003|Q14721|Q16322|Q6PIU1|Q8NCM2|Q8TAE7|Q8TDN1|Q8TDN2|Q92953|Q96KK3|Q96L42|Q96PR1|Q96RP8|Q9BQ31|Q9H252|Q9H3M0|Q9NR82|Q9NS40|Q9NSA2|Q9NZV8|Q9UIX4|Q9UJ96|Q9UK17|Q9ULD8|Q9ULS6|Q9UQ05" "KCNQ3|KCNQ2|KCNH1|KCNA2|KCNA6|KCNA3|KCNA4|KCNA5|KCNC1|KCNQ1|KCNQ4|KCNC4|KCNA1|KCNH2|KCNC3|KCNB1|KCNA10|KCNV1|KCNH5|KCNG3|KCNG4|KCNV2|KCNB2|KCNS1|KCNH8|KCNC2|KCNA7|KCNS3|KCNH6|KCNF1|KCNQ5|KCNH7|KCND1|KCND2|KCNG1|KCNG2|KCND3|KCNH3|KCNS2|KCNH4" "KCNQ3_HUMAN|KCNQ2_HUMAN|KCNH1_HUMAN|KCNA2_HUMAN|KCNA6_HUMAN|KCNA3_HUMAN|KCNA4_HUMAN|KCNA5_HUMAN|KCNC1_HUMAN|KCNQ1_HUMAN|KCNQ4_HUMAN|KCNC4_HUMAN|KCNA1_HUMAN|KCNH2_HUMAN|KCNC3_HUMAN|KCNB1_HUMAN|KCA10_HUMAN|KCNV1_HUMAN|KCNH5_HUMAN|KCNG3_HUMAN|KCNG4_HUMAN|KCNV2_HUMAN|KCNB2_HUMAN|KCNS1_HUMAN|KCNH8_HUMAN|KCNC2_HUMAN|KCNA7_HUMAN|KCNS3_HUMAN|KCNH6_HUMAN|KCNF1_HUMAN|KCNQ5_HUMAN|KCNH7_HUMAN|KCND1_HUMAN|KCND2_HUMAN|KCNG1_HUMAN|KCNG2_HUMAN|KCND3_HUMAN|KCNH3_HUMAN|KCNS2_HUMAN|KCNH4_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22805230" "BLOCKER" "Tclin|Tbio|Tchem|NA" "Homo sapiens" "ambrisentan" 4337 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 6.98 "Ki" "WOMBAT-PK" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "ambrisentan" 4337 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 9.65 "Ki" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022081s033lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "alogliptin" 4340 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9 "IC50" "Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376359" "INHIBITOR" "Tclin" "Homo sapiens" "zucapsaicin" 4342 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" 7.71 "EC50" "increases in intracellular (HEK-293 cells) Ca2+ using Fluo-3 dye" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/14599363" "https://pubmed.ncbi.nlm.nih.gov/25171227" "OPENER" "Tclin" "Homo sapiens" "zinc chloride" 4344 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.158 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "zinc chloride" 4344 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.936 "IC50" "DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "zinc chloride" 4344 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.66 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "zinc chloride" 4344 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.726 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "zinc chloride" 4344 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.363 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "zinc chloride" 4344 "Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform" "Enzyme" "Q08209" "PPP3CA" "PP2BA_HUMAN" 5.958 "IC50" "DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "zinc chloride" 4344 "G-protein coupled receptor 39" "GPCR" "O43194" "GPR39" "GPR39_HUMAN" 8.44 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "zinc chloride" 4344 "G protein-coupled receptor 39-1b" "GPCR" "A6QR73" "Gpr39" "A6QR73_RAT" 5.39 "EC50" "CHEMBL" "=" "Rattus norvegicus" "zinc chloride" 4344 "Ubiquitin-conjugating enzyme E2 T" "Unclassified" "Q9NPD8" "UBE2T" "UBE2T_HUMAN" 4.8 "Kd" "Binding affinity to N-terminally 6xHis-Smt3 tagged human Ube2T C86K/K91R/K95R mutant expressed in Escherichia coli by ITC method" "CHEMBL" "=" "Tbio" "Homo sapiens" "benzathine benzylpenicillin" 4347 "Beta-lactamase TEM" "Enzyme" "P62593" "bla; blaT-3; blaT-4;" "BLAT_ECOLX" 4.7 "Ki" "Inhibition constant (Ki) for TEM-1 beta-lactamase" "CHEMBL" "=" "Escherichia coli" "benzathine benzylpenicillin" 4347 "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/CHEMBL3989515" "INHIBITOR" "Escherichia coli (strain K12)" "aurothioglucose" 4349 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 10.5 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "aurothioglucose" 4349 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" 8.398 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "aurothioglucose" 4349 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 9.85 "Kd" "Binding affinity to human 5-HT3B receptor H73A mutant after 24 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "aurothioglucose" 4349 "5-hydroxytryptamine receptor 3B" "Ion channel" "O95264" "HTR3B" "5HT3B_HUMAN" 9.85 "Kd" "Binding affinity to human 5-HT3B receptor H73A mutant after 24 hrs by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "aurothioglucose" 4349 "Sulfide:quinone oxidoreductase, mitochondrial" "Unclassified" "Q9Y6N5" "SQRDL" "SQRD_HUMAN" 6.03 "IC50" "Inhibition of SQOR (unknown origin) using sodium sulfide, sodium sulfite and coenzyme Q1 by UV absorbance method" "CHEMBL" "=" "Tbio" "Homo sapiens" "bilastine" 4353 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.194 "Ki" "inhibition of [3H]-pyrilamine binding to human recombinant histamine H1-receptors" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/16274260" "https://pubmed.ncbi.nlm.nih.gov/16274260" "ANTAGONIST" "Tclin" "Homo sapiens" "anidulafungin" 4357 "Beta-1,3-glucan synthase catalytic subunit 1" "Enzyme" "O13428" "GSC1" "O13428_CANAX" 7.75 "IC50" "In vitro inhibitory activity against Beta glucan synthase" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL264241" "INHIBITOR" "Candida albicans" "arginine glutamate" 4358 "Nitric oxide synthase, inducible" "Enzyme" "P35228" "NOS2" "NOS2_HUMAN" 5.15 "Kd" "Binding affinity to truncated iNOS construct (1-490) by spectral assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.92 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 5.2 "Kd" "Binding constant for MST1R kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 6.7 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 10.54 "Kd" "Binding constant for ABL1(F317L)-phosphorylated kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" "bosutinib" 4359 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.14 "Kd" "Binding constant for KIT(D816V) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.74 "Kd" "Binding constant for EGFR(E746-A750del) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 9 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 9.23 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 8.4 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 7.96 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 7.74 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6 "Kd" "Binding constant for FLT3(D835H) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.42 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.42 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.29 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.6 "Kd" "Binding constant for ERBB2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 5.92 "Kd" "Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 5.89 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.31 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 6.06 "Kd" "Binding constant for ROCK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.24 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 8.47 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase PLK1" "Kinase" "P53350" "PLK1" "PLK1_HUMAN" 5.74 "Kd" "Binding constant for PLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.59 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.51 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 5.8 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.96 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 6.44 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 6.54 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 7.49 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.41 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 8.05 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 5.44 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 5.64 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.66 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 8.38 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL288441" "INHIBITOR" "Tclin" "Homo sapiens" "bosutinib" 4359 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 6.7 "Kd" "Binding constant for BMX kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 5.8 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 5.49 "Kd" "Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 5.41 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 6.47 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.35 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 8.15 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 6.44 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 5.62 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 8.82 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-A receptor 5" "Kinase" "P54756" "EPHA5" "EPHA5_HUMAN" 7.57 "Kd" "Binding constant for EPHA5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 7.74 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 5.54 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 6.04 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 5.96 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 7.51 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.96 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 8.2 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.16 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 6.24 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 8.24 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.46 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 8.85 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 6.22 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 5.77 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual specificity protein kinase CLK3" "Kinase" "P49761" "CLK3" "CLK3_HUMAN" 6.52 "Kd" "Binding constant for CLK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 9.3 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 6.96 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.89 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.43 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 7.48 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.26 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.62 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 6.72 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 7.54 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 8.33 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.49 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 6.11 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 6.92 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 8.04 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.34 "Kd" "Binding constant for TSSK1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Cyclin-dependent kinase 15" "Kinase" "Q96Q40" "CDK15" "CDK15_HUMAN" 5.8 "Kd" "Binding constant for PFTAIRE2 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 7" "Kinase" "O14733" "MAP2K7" "MP2K7_HUMAN" 5.28 "Kd" "Binding constant for MKK7 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.72 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 8 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 5.77 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.8 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 8.32 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 5.49 "Kd" "Binding constant for TEC kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 7.28 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.92 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 7.21 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 8.08 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.92 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 6.18 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.49 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 5.27 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 6.43 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.57 "Kd" "Binding constant for RSK4(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.66 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.35 "Kd" "Binding constant for TYK2(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 5.52 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 5.24 "Kd" "Binding constant for PAK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 5.85 "Kd" "Binding constant for PFTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 5.48 "Kd" "Binding constant for PIP5K1A kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 6.29 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 6.05 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 7.1 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 6.41 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.66 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Casein kinase I isoform alpha-like" "Kinase" "Q8N752" "CSNK1A1L" "KC1AL_HUMAN" 5.59 "Kd" "Binding constant for CSNK1A1L kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "bosutinib" 4359 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 6.62 "Kd" "Binding constant for CSNK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.54 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase tousled-like 1" "Kinase" "Q9UKI8" "TLK1" "TLK1_HUMAN" 6.24 "Kd" "Binding constant for TLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase tousled-like 2" "Kinase" "Q86UE8" "TLK2" "TLK2_HUMAN" 5.68 "Kd" "Binding constant for TLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 5.47 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 7.14 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 7.28 "Kd" "Binding constant for IKK-epsilon kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.59 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 7.43 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase NLK" "Kinase" "Q9UBE8" "NLK" "NLK_HUMAN" 5.66 "Kd" "Binding constant for NLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 6.57 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 5.8 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 7.54 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 7.43 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 6.77 "Kd" "Binding constant for TNNI3K kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 5.68 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 6.85 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 7.04 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.52 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.82 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.23 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase" "Kinase" "Q99640" "PKMYT1" "PMYT1_HUMAN" 6.46 "Kd" "Binding constant for PKMYT1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 8.29 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 8.48 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 6.24 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 8.09 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5.59 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.89 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 6.96 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.57 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 5.57 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 6.42 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 5.62 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Myosin-IIIa" "Kinase" "Q8NEV4" "MYO3A" "MYO3A_HUMAN" 5.21 "Kd" "Binding constant for MYO3A kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.64 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 5.64 "Kd" "Binding constant for PAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 5.72 "Kd" "Binding constant for PAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 7.52 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 7 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.64 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-B receptor 3" "Kinase" "P54753" "EPHB3" "EPHB3_HUMAN" 6.68 "Kd" "Binding constant for EPHB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 5.64 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 5.34 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.48 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "bosutinib" 4359 "Casein kinase I isoform alpha" "Kinase" "P48729" "CSNK1A1" "KC1A_HUMAN" 6.55 "Kd" "Binding constant for CSNK1A1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 8.51 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 8.49 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.6 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase Blk" "Kinase" "P16277" "Blk" "BLK_MOUSE" 8.14 "IC50" "Inhibition of mouse BLK" "CHEMBL" "=" "Mus musculus" "bosutinib" 4359 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 6.44 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 6.92 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.52 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 5.31 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 5.77 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 5.72 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 5.49 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.89 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 5.3 "Kd" "Binding constant for HUNK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.22 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.32 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 7.52 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 7.27 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 6.46 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase NIM1" "Kinase" "Q8IY84" "NIM1K" "NIM1_HUMAN" 5.82 "Kd" "Binding constant for NIM1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 5.41 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 5.43 "Kd" "Binding constant for STK39 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 7 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.89 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 6.47 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 5.92 "Kd" "Binding constant for ULK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 6.35 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 6.34 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.8 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 6.28 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase PLK2" "Kinase" "Q9NYY3" "PLK2" "PLK2_HUMAN" 6.02 "Kd" "Binding constant for PLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 8.7 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Megakaryocyte-associated tyrosine-protein kinase" "Kinase" "P42679" "MATK" "MATK_HUMAN" 5.24 "Kd" "Binding constant for CTK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 9.11 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 1" "Kinase" "Q13233" "MAP3K1" "M3K1_HUMAN" 5.36 "Kd" "Binding constant for MAP3K1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 7.19 "Kd" "Binding constant for QSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Wee1-like protein kinase 2" "Kinase" "P0C1S8" "WEE2" "WEE2_HUMAN" 7.03 "Kd" "Binding constant for WEE2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase 32A" "Kinase" "Q8WU08" "STK32A" "ST32A_HUMAN" 5.74 "Kd" "Binding constant for YANK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "bosutinib" 4359 "Peripheral plasma membrane protein CASK" "Kinase" "O14936" "CASK" "CSKP_HUMAN" 6.08 "Kd" "Binding constant for CASK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase VRK2" "Kinase" "Q86Y07" "VRK2" "VRK2_HUMAN" 6.15 "Kd" "Binding constant for VRK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 6.17 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Eukaryotic translation initiation factor 2-alpha kinase 1" "Kinase" "Q9BQI3" "EIF2AK1" "E2AK1_HUMAN" 6.2 "Kd" "Binding constant for EIF2AK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 5.72 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 8.09 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase Nek11" "Kinase" "Q8NG66" "NEK11" "NEK11_HUMAN" 6.19 "Kd" "Binding constant for NEK11 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.3 "Kd" "Binding constant for LRRK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "bosutinib" 4359 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 6.42 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "bosutinib" 4359 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 5.26 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "bosutinib" 4359 "NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor)" "Kinase" "P06748|Q9UM73" "NPM1|ALK" "NPM_HUMAN|ALK_HUMAN" 6.82 "IC50" "Inhibition of NPM/ALK L256T mutant kinase activity in BaF3 cells by radioenzymatic assay" "CHEMBL" "=" "Tbio|Tclin|Tbio|Tclin" "Homo sapiens" "bosutinib" 4359 "Tyrosine-protein kinase ABL" "Kinase" "P00519|P42684" "ABL1|ABL2" "ABL1_HUMAN|ABL2_HUMAN" 8.96 "IC50" "Inhibition of Abl kinase" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "bosutinib" 4359 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 7.7 "IC50" "Inhibition of Bcr-Abl fusion protein" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cetrimide" 4360 "Dynamin-1" "Structural" "Q05193" "DNM1" "DYN1_HUMAN" 5.24 "IC50" "Concentration required against dynamin-1 GTPase activity of sheep brain." "CHEMBL" "=" "Tbio" "Homo sapiens" "chenodiol" 4361 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "chenodiol" 4361 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 5.47 "EC50" "Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL240597" "AGONIST" "Tclin" "Homo sapiens" "chenodiol" 4361 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 5.4 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "chiniofon" 4362 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 5.15 "IC50" "Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]-SAM as substrate" "CHEMBL" "=" "Rattus norvegicus" "vernakalant" 4365 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 4.73 "IC50" "Inhibition of human H1 Na+ channel expressed in HEK cells by patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "vernakalant" 4365 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.16 "IC50" "Inhibition of human ERG expressed in HEK cells by patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "vernakalant" 4365 "Potassium voltage-gated channel subfamily D member 2" "Ion channel" "Q9NZV8" "KCND2" "KCND2_HUMAN" 4.3 "IC50" "Inhibition of human KV4.2 expressed in HEK cells by patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "vernakalant" 4365 "Potassium voltage-gated channel subfamily A member 5" "Ion channel" "P22460" "KCNA5" "KCNA5_HUMAN" 4.875 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17872968" "https://pubmed.ncbi.nlm.nih.gov/17872968" "BLOCKER" "Tclin" "Homo sapiens" "voclosporin" 4366 "Peptidyl-prolyl cis-trans isomerase A" "Enzyme" "P62937" "PPIA" "PPIA_HUMAN" 7.82 "Kd" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "voclosporin" 4366 "Peptidyl-prolyl cis-trans isomerase A" "Enzyme" "P62937" "PPIA" "PPIA_HUMAN" 7.82 "Kd" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "sodium benzoate" 4373 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.52 "Ki" "Binding affinity against human cytosolic Carbonic anhydrase II" "CHEMBL" "=" "Tclin" "Homo sapiens" "sodium benzoate" 4373 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.13 "Ki" "Binding affinity against human cytosolic Carbonic anhydrase IV" "CHEMBL" "=" "Tclin" "Homo sapiens" "sodium benzoate" 4373 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.61 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "lorcaserin" 4374 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.58 "Ki" "Displacement of [3H]citalopram from SERT" "CHEMBL" "=" "Tclin" "Homo sapiens" "lorcaserin" 4374 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.036 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "Tclin" "Homo sapiens" "lorcaserin" 4374 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 6.833 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "Tclin" "Homo sapiens" "lorcaserin" 4374 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.886 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208524s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "dequalinium" 4376 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 4.96 "IC50" "Inhibition of human recombinant PKCalpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "Q9UGI6" "KCNN3" "KCNN3_HUMAN" 5.89 "IC50" "Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 3" "Ion channel" "P70605" "Kcnn3" "KCNN3_RAT" 6.85 "Ki" "Displacement of [I125]apamine from Wistar rat recombinant SK3 channel expressed in HEK293 cells" "CHEMBL" "=" "Rattus norvegicus" "dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 1" "Ion channel" "Q92952" "KCNN1" "KCNN1_HUMAN" 6.4 "IC50" "IUPHAR" "=" "BLOCKER" "Tchem" "Homo sapiens" "dequalinium" 4376 "Small conductance calcium-activated potassium channel protein 2" "Ion channel" "P70604" "Kcnn2" "KCNN2_RAT" 6.8 "IC50" "IUPHAR" "=" "BLOCKER" "Rattus norvegicus" "dequalinium" 4376 "cGMP-gated cation channel alpha-1" "Ion channel" "P29973" "CNGA1" "CNGA1_HUMAN" 6.7 "IC50" "IUPHAR" "=" "BLOCKER" "Homo sapiens" "dequalinium" 4376 "Cyclic nucleotide-gated olfactory channel" "Ion channel" "Q16280" "CNGA2" "CNGA2_HUMAN" 5.6 "IC50" "IUPHAR" "=" "BLOCKER" "Homo sapiens" "degarelix" 4379 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8.77 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL415606" "ANTAGONIST" "Tclin" "Homo sapiens" "desvenlafaxine" 4380 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.325 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1118" "INHIBITOR" "Tclin" "Homo sapiens" "desvenlafaxine" 4380 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.275 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1118" "INHIBITOR" "Tclin" "Homo sapiens" "desvenlafaxine" 4380 "Alpha-1A adrenergic receptor" "GPCR" "P43140" "Adra1a" "ADA1A_RAT" 7.22 "IC50" "Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain" "CHEMBL" "=" "Rattus norvegicus" "dapoxetine" 4381 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.95 "IC50" "Inhibition of the reuptake of [3H]5-HT" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7901" "INHIBITOR" "Tclin" "Homo sapiens" "mirabegron" 4382 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.65 "EC50" "cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17293563" "https://pubmed.ncbi.nlm.nih.gov/17293563" "AGONIST" "Tclin" "Homo sapiens" "choline theophyllinate" 4390 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin" "Homo sapiens" "choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin" "Homo sapiens" "choline theophyllinate" 4390 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.57 "Ki" "Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin" "Homo sapiens" "choline theophyllinate" 4390 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.85 "Ki" "Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells" "CHEMBL" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "choline theophyllinate" 4390 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.09 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "Tchem" "Homo sapiens" "choline theophyllinate" 4390 "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" "choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.15 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "Rattus norvegicus" "choline theophyllinate" 4390 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.17 "Ki" "Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement." "CHEMBL" "=" "Rattus norvegicus" "choline theophyllinate" 4390 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 4.11 "Ki" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "Bos taurus" "choline theophyllinate" 4390 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.07 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "Rattus norvegicus" "choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 5.42 "Ki" "Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM" "CHEMBL" "=" "Bos taurus" "choline theophyllinate" 4390 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 5.01 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "Cavia porcellus" "choline theophyllinate" 4390 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2b|Adora2a" "AA2BR_RAT|AA2AR_RAT" 5.88 "Ki" "Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand" "CHEMBL" "=" "Rattus norvegicus" "choline theophyllinate" 4390 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" "Mechanism of Action; CHEMBL2094125; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "choline theophyllinate" 4390 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.25 "Ki" "Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "choline theophyllinate" 4390 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 4.82 "Ki" "Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells" "CHEMBL" "=" "Rattus norvegicus" "choline theophyllinate" 4390 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora3|Adora2b|Adora2a" "AA1R_RAT|AA3R_RAT|AA2BR_RAT|AA2AR_RAT" 4.7 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "Rattus norvegicus" "choline theophyllinate" 4390 "Adenosine A2 receptor" "GPCR" "P29274|P29275" "ADORA2A|ADORA2B" "AA2AR_HUMAN|AA2BR_HUMAN" 4.85 "Ki" "Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200434" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "choline theophyllinate" 4390 "Heart phosphodiesterase" "Enzyme" "E1BN64|P14100|Q01061" "PDE3B|PDE1A|PDE1B" "E1BN64_BOVIN|PDE1A_BOVIN|PDE1B_BOVIN" 4.04 "IC50" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "Bos taurus" "choline theophyllinate" 4390 "Adenosine A2a receptor" "GPCR" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.89 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "Cavia porcellus" "cisplatin" 4392 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.026 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "cisplatin" 4392 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 5.95 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisplatin" 4392 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.37 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cisplatin" 4392 "Canalicular multispecific organic anion transporter 1" "Transporter" "Q92887" "ABCC2" "MRP2_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "cisplatin" 4392 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.62 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "cisplatin" 4392 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "cisplatin" 4392 "Multidrug resistance-associated protein 5" "Transporter" "O15440" "ABCC5" "MRP5_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "cisplatin" 4392 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.582 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisplatin" 4392 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.639 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisplatin" 4392 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.321 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "cisplatin" 4392 "C-X-C chemokine receptor type 2" "GPCR" "P25025" "CXCR2" "CXCR2_HUMAN" 5.024 "Ki" "DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "cisplatin" 4392 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 5.029 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "cisplatin" 4392 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 5.154 "Ki" "DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "cisplatin" 4392 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.335 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "cisplatin" 4392 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.219 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "clofenotane" 4396 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 4.74 "IC50" "Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)" "CHEMBL" "=" "Rattus norvegicus" "clopenthixol" 4397 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.77 "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" "eltrombopag" 4399 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.16 "IC50" "Inhibition of human ERG channel tail current" "CHEMBL" "=" "Tclin" "Homo sapiens" "eltrombopag" 4399 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" 7.42 "EC50" "IUPHAR" "=" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6961" "AGONIST" "Tclin" "Homo sapiens" "casopitant" 4401 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 5.53 "Ki" "Binding affinity to sigma 1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "casopitant" 4401 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.9 "Ki" "Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate by liquid scintillation counting" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19536319" "ANTAGONIST" "Tclin" "Homo sapiens" "ceftobiprole medocaril" 4402 "MecA" "Enzyme" "Q7DHH4" "mecA" "Q7DHH4_STAAU" 5.49 "IC50" "CHEMBL" "=" "Staphylococcus aureus" "plerixafor" 4410 "C-X-C chemokine receptor type 4" "GPCR" "P61073" "CXCR4" "CXCR4_HUMAN" 6.05 "Ki" "Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL18442" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "plerixafor" 4410 "C-C chemokine receptor type 2" "GPCR" "P41597" "CCR2" "CCR2_HUMAN" 10.4 "IC50" "Displacement of [125I]SDF1alpha from CCR2/CXCR4 expressed in CHOK1 cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "plerixafor" 4410 "Stromal cell-derived factor 1" "Cytokine" "P48061" "CXCL12" "SDF1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "plerixafor" 4410 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" 6.19 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "plerixafor" 4410 "C-X-C chemokine receptor type 4" "GPCR" "O08565" "Cxcr4" "CXCR4_RAT" 6.97 "IC50" "Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells" "CHEMBL" "=" "Rattus norvegicus" "plerixafor" 4410 "Atypical chemokine receptor 3" "GPCR" "P25106" "ACKR3" "ACKR3_HUMAN" 6.85 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "dexchlorpheniramine" 4411 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.118 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q99720" "SIGMAR1" "SGMR1_HUMAN" 6.157 "Ki" "DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.886 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.308 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.977 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 5.915 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 5.677 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 9.14 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201353" "ANTAGONIST" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 5.085 "Ki" "DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 6.478 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 5.604 "Ki" "DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 6.262 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 6.559 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 6.126 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.131 "Ki" "DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 4.781 "Ki" "DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "dexchlorpheniramine" 4411 "Alpha-1B adrenergic receptor" "GPCR" "P15823" "Adra1b" "ADA1B_RAT" 5.065 "Ki" "DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin)" "DRUG MATRIX" "=" "Rattus norvegicus" "dexchlorpheniramine" 4411 "Membrane-associated progesterone receptor component 1" "Membrane receptor" "P70580" "Pgrmc1" "PGRC1_RAT" 4.931 "Ki" "DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)" "DRUG MATRIX" "=" "Rattus norvegicus" "diamorphine" 4412 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.96 "Ki" "Dopamine receptor D2 affinity was tested in vitro against corpus striatum from rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "diamorphine" 4412 "D(1A) dopamine receptor" "GPCR" "P18901" "Drd1" "DRD1_RAT" 6.62 "Ki" "Dopamine receptor D1 affinity was tested in vitro against corpus striatum from rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "diamorphine" 4412 "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" "dibutylphthalate" 4414 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.6 "EC50" "Calcium imaging" "IUPHAR" "=" "ACTIVATOR" "Tclin" "Homo sapiens" "dihydroergocryptine" 4420 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.48 "Ki" "Biased for β-arrestin signalling." "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "dihydroergocryptine" 4420 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.5 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "dihydroergocryptine" 4420 "5-hydroxytryptamine receptor 7" "GPCR" "P32304" "Htr7" "5HT7R_MOUSE" 7 "Ki" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "colistin" 4425 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.824 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "colistin" 4425 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.018 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "colistin" 4425 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 5.652 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "colistin" 4425 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 6.092 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "colistin" 4425 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 6.604 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "colistin" 4425 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 6.775 "Ki" "DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "bufylline" 4426 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin" "Homo sapiens" "bufylline" 4426 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 9.22 "Ki" "Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin" "Homo sapiens" "bufylline" 4426 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.57 "Ki" "Displacement of [3H]DPCPX from human recombinant adenosine A2B receptor expressed in HEK293 cell membrane" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin" "Homo sapiens" "bufylline" 4426 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.85 "Ki" "Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells" "CHEMBL" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "bufylline" 4426 "Alkaline phosphatase, tissue-nonspecific isozyme" "Enzyme" "P05186" "ALPL" "PPBT_HUMAN" 4.09 "Ki" "Inhibition of TNSALP" "CHEMBL" "=" "Tchem" "Homo sapiens" "bufylline" 4426 "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" "bufylline" 4426 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.15 "Ki" "Inhibition of [3H]-CHA binding to rat brain membrane Adenosine A1 receptor" "CHEMBL" "=" "Rattus norvegicus" "bufylline" 4426 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 5.17 "Ki" "Binding affinity at rat Adenosine A2A receptor by [3H]-CGS- 21680 displacement." "CHEMBL" "=" "Rattus norvegicus" "bufylline" 4426 "Uncharacterized protein" "Enzyme" "E1BN64" "PDE3B" "E1BN64_BOVIN" 4.11 "Ki" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "Bos taurus" "bufylline" 4426 "Adenosine receptor A3" "GPCR" "P28647" "Adora3" "AA3R_RAT" 4.07 "Ki" "Binding affinity to rat adenosine A3 receptor" "CHEMBL" "=" "Rattus norvegicus" "bufylline" 4426 "Adenosine receptor A1" "GPCR" "P28190" "ADORA1" "AA1R_BOVIN" 5.42 "Ki" "Binding affinity towards adenosine A1 receptor of bovine brain membrane using [3H]-CHA at 20 uM" "CHEMBL" "=" "Bos taurus" "bufylline" 4426 "Adenosine receptor A1" "GPCR" "P47745" "ADORA1" "AA1R_CAVPO" 5.01 "Ki" "Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX." "CHEMBL" "=" "Cavia porcellus" "bufylline" 4426 "Adenosine A2 receptor" "GPCR" "P29276|P30543" "Adora2b|Adora2a" "AA2BR_RAT|AA2AR_RAT" 5.88 "Ki" "Binding of Adenosine A2 receptor in whole rat brain membrane using [3H]CHA as a Radioligand" "CHEMBL" "=" "Rattus norvegicus" "bufylline" 4426 "Phosphodiesterase 3" "Enzyme" "Q13370|Q14432" "PDE3B|PDE3A" "PDE3B_HUMAN|PDE3A_HUMAN" "Mechanism of Action; CHEMBL2094125; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "bufylline" 4426 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 4.25 "Ki" "Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "bufylline" 4426 "Adenosine A2b receptor" "GPCR" "P29276" "Adora2b" "AA2BR_RAT" 4.82 "Ki" "Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells" "CHEMBL" "=" "Rattus norvegicus" "bufylline" 4426 "Adenosine receptor" "GPCR" "P25099|P28647|P29276|P30543" "Adora1|Adora3|Adora2b|Adora2a" "AA1R_RAT|AA3R_RAT|AA2BR_RAT|AA2AR_RAT" 4.7 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to rat testes" "CHEMBL" "=" "Rattus norvegicus" "bufylline" 4426 "Adenosine A2 receptor" "GPCR" "P29274|P29275" "ADORA2A|ADORA2B" "AA2AR_HUMAN|AA2BR_HUMAN" 4.85 "Ki" "Inhibition of the stimulation by 5'-(N-ethylcarbamoyl) adenosine of adenyl cyclase via adenosine A2 receptor in human platelet membranes." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104089" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "bufylline" 4426 "Heart phosphodiesterase" "Enzyme" "E1BN64|P14100|Q01061" "PDE3B|PDE1A|PDE1B" "E1BN64_BOVIN|PDE1A_BOVIN|PDE1B_BOVIN" 4.04 "IC50" "Inhibition of bovine heart phosphodiesterase" "CHEMBL" "=" "Bos taurus" "bufylline" 4426 "Adenosine A2a receptor" "GPCR" "P46616" "ADORA2A" "AA2AR_CAVPO" 4.89 "Ki" "Antagonist binding of N6-cyclohexyl-[3H]-adenosine to guinea pig brain" "CHEMBL" "=" "Cavia porcellus" "calcitonin human" 4427 "Calcitonin receptor" "GPCR" "P30988" "CALCR" "CALCR_HUMAN" 7.81 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/10385705" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL4594248" "AGONIST" "Tclin" "Homo sapiens" "calcitonin human" 4427 "Amylin receptor AMY1" "GPCR" "P30988|O60894" "CALCR|RAMP1" "CALCR_HUMAN|RAMP1_HUMAN" 7.53 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10385705" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "calcitonin human" 4427 "Amylin receptor AMY2" "GPCR" "P30988|O60895" "CALCR|RAMP2" "CALCR_HUMAN|RAMP2_HUMAN" 8.082 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10385705" "AGONIST" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "calcitonin human" 4427 "Amylin receptor AMY3" "GPCR" "P30988|O60896" "CALCR|RAMP3" "CALCR_HUMAN|RAMP3_HUMAN" 7.706 "IC50" "IC50 values for peptides in competition for 125I-labeled salmon CT binding to COS-7 cells cotransfected with 100 ng of hCTR and 100 ng of RAMP." "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10385705" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "prednisolone sodium phosphate" 4451 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/021959s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2010/021959s004lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "clobetasol propionate" 4452 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.179 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1159650" "AGONIST" "Tclin" "Homo sapiens" "clobetasol propionate" 4452 "Annexin A1" "Cytosolic other" "P04083" "ANXA1" "ANXA1_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "clobetasol propionate" 4452 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.07 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "clobetasol propionate" 4452 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.599 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "clobetasol propionate" 4452 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 7.68 "IC50" "Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate pretreated with doxycycline for 24 hrs followed by incubation with compound for 24 hrs by LC-MS/MS analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "clobetasol propionate" 4452 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 8.818 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "clobetasol propionate" 4452 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.5 "IC50" "CHEMBL" "=" "Rattus norvegicus" "clobetasol propionate" 4452 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 4.46 "IC50" "CHEMBL" "=" "Rattus norvegicus" "clobetasol propionate" 4452 "Cytochrome P450 3A5" "Enzyme" "P20815" "CYP3A5" "CP3A5_HUMAN" 7.68 "IC50" "Inhibition of CYP3A5 in doxycycline-induced CYP3A5 overexpressing wild type human AsPC1 cells assessed as decrease in 1-hydroxymidazolam formation using midazolam as substrate pretreated with doxycycline for 24 hrs followed by incubation with compound for 24 hrs by LC-MS/MS analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "testosterone cypionate" 4454 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201101" "AGONIST" "Tclin" "Homo sapiens" "hydrocortisone succinate" 4456 "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/CHEMBL977" "AGONIST" "Tclin" "Homo sapiens" "hydrocortisone succinate" 4456 "Glucocorticoid receptor" "Transcription factor" "P06537" "Nr3c1" "GCR_MOUSE" 6.72 "Kd" "Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrs" "CHEMBL" "=" "Mus musculus" "sulfisoxazole acetyl" 4458 "Dihydropteroate synthase" "Enzyme" "P0AC13" "folP" "DHPS_ECOLI" "Mechanism of Action; CHEMBL2364668; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200910" "INHIBITOR" "Escherichia coli (strain K12)" "sulfisoxazole acetyl" 4458 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 6.11 "IC50" "Inhibitory concentration against Endothelin A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfisoxazole acetyl" 4458 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 4.62 "IC50" "Binding affinity against human Endothelin B receptor in transfected COS 7 cell membrane preparation" "CHEMBL" "=" "Tclin" "Homo sapiens" "sulfisoxazole acetyl" 4458 "Endothelin-1 receptor" "GPCR" "P26684" "Ednra" "EDNRA_RAT" 6.11 "IC50" "Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells." "CHEMBL" "=" "Rattus norvegicus" "eosin" 4466 "Protein arginine N-methyltransferase 1" "Enzyme" "Q99873" "PRMT1" "ANM1_HUMAN" 6 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "eosin" 4466 "RmtA" "Enzyme" "Q5VLE3" "rmtA" "Q5VLE3_EMEND" 4.74 "IC50" "Inhibition of Aspergillus nidulans RmtA" "CHEMBL" "=" "Emericella nidulans" "esketamine" 4468 "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" 6.161 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23183107" "ANTAGONIST" "Rattus norvegicus" "fosaprepitant" 4470 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 8.92 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1199324" "ANTAGONIST" "Tclin" "Homo sapiens" "trisodium citrate dihydrate" 4474 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7 "Ki" "Binding affinity against human cytosolic Carbonic anhydrase IV" "CHEMBL" "=" "Tclin" "Homo sapiens" "trisodium citrate dihydrate" 4474 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.41 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "sodium citrate" 4477 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 7 "Ki" "Binding affinity against human cytosolic Carbonic anhydrase IV" "CHEMBL" "=" "Tclin" "Homo sapiens" "sodium citrate" 4477 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.41 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "potassium phosphate, monobasic" 4480 "Intestinal alkaline phosphatase" "Enzyme" "P19111" "ALPI" "PPBI_BOVIN" 5.62 "IC50" "Inhibition of calf intestinal alkaline phosphatase using p-nitrophenyl phosphate as substrate preincubated for 10 mins before substrate addition after 30 mins" "CHEMBL" "=" "Bos taurus" "corbadrine" 4482 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 5.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "corbadrine" 4482 "Adrenergic receptor alpha-2" "GPCR" "P19328|P22086|P22909" "Adra2b|Adra2c|Adra2a" "ADA2B_RAT|ADA2C_RAT|ADA2A_RAT" 6.69 "Ki" "Alpha-2 adrenergic receptor binding affinity was tested against membrane preparations of rat brain." "CHEMBL" "=" "Rattus norvegicus" "corbadrine" 4482 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.44 "Ki" "Compound was evaluated for inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat forebrain homogenate." "CHEMBL" "=" "Rattus norvegicus" "corbadrine" 4482 "Adrenergic receptor alpha-2" "GPCR" "P08913|P18089|P18825" "ADRA2A|ADRA2B|ADRA2C" "ADA2A_HUMAN|ADA2B_HUMAN|ADA2C_HUMAN" "Mechanism of Action; CHEMBL2095158; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL677" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "carfilzomib" 4483 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.04 "IC50" "Inhibition of human ERG in HEK293 cells assessed as effect on QT interval" "CHEMBL" "=" "Tclin" "Homo sapiens" "carfilzomib" 4483 "Cathepsin B" "Enzyme" "P07858" "CTSB" "CATB_HUMAN" 4.96 "IC50" "Inhibition of recombinant cathepsin B (unknown origin) using Z-Leu-Arg-AMC as substrate by spectrofluorometer analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "carfilzomib" 4483 "Proteasome subunit beta type-8" "Enzyme" "P28062" "PSMB8" "PSB8_HUMAN" 7.85 "IC50" "Inhibition of chymotrypsin-like activity of LMP7 immunoproteasome by proteasome active site ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "carfilzomib" 4483 "Proteasome subunit beta type-1" "Enzyme" "P20618" "PSMB1" "PSB1_HUMAN" 5.84 "IC50" "Inhibition of human caspase-like activity of 20S constitutive proteasome preincubated for 15 mins followed by substrate addition by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "carfilzomib" 4483 "Proteasome subunit beta type-2" "Enzyme" "P49721" "PSMB2" "PSB2_HUMAN" 6.69 "IC50" "Inhibition of 20S proteasome beta2 subunit in human Jurkat cell lysate using Suc-RLR-AMC as substrate pretreated for 30 mins followed by substrate addition and measured after 60 mins by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "carfilzomib" 4483 "Glutathione S-transferase omega-1" "Unclassified" "P78417" "GSTO1" "GSTO1_HUMAN" 6.82 "IC50" "Inhibition of GSTO1-1 (unknown origin) pre-incubated for 1 hr before GSH addition by CDNB-GSH conjugation assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "carfilzomib" 4483 "Proteasome subunit beta type-1" "Enzyme" "P20618" "PSMB1" "PSB1_HUMAN" 5.84 "IC50" "Inhibition of human caspase-like activity of 20S constitutive proteasome preincubated for 15 mins followed by substrate addition by fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "carfilzomib" 4483 "Proteasome subunit beta type-9" "Enzyme" "P28065" "PSMB9" "PSB9_HUMAN" 5.62 "IC50" "Inhibition of 20S proteasome beta 1i (unknown origin) after 1 hr by fluorescence based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "carfilzomib" 4483 "Proteasome subunit beta type-10" "Enzyme" "P40306" "PSMB10" "PSB10_HUMAN" 6.21 "IC50" "Inhibition of 20S proteasome beta 2i (unknown origin) after 1 hr by fluorescence based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "carfilzomib" 4483 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.04 "IC50" "Inhibition of human ERG in HEK293 cells assessed as effect on QT interval" "CHEMBL" "=" "Tclin" "Homo sapiens" "carfilzomib" 4483 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 8.222 "IC50" "fluorogenic peptide substrate hydrolysis" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17616698" "https://pubmed.ncbi.nlm.nih.gov/17616698" "INHIBITOR" "Tclin" "Homo sapiens" "aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 10.1 "Ki" "Binding affinity to muscarinic M1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 10.1 "Ki" "Binding affinity to muscarinic M2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10.15 "Ki" "Binding affinity to muscarinic M3 receptor" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1194325" "ANTAGONIST" "Tclin" "Homo sapiens" "aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.7 "IC50" "Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "aclidinium bromide" 4484 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.8 "IC50" "Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "diflorasone diacetate" 4485 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.536 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200545" "AGONIST" "Tclin" "Homo sapiens" "diflorasone diacetate" 4485 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 7.824 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "alclometasone dipropionate" 4493 "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/CHEMBL1200989" "AGONIST" "Tclin" "Homo sapiens" "haloperidol decanoate" 4496 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.34 "Ki" "Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200986" "INVERSE AGONIST" "Tclin" "Homo sapiens" "haloperidol decanoate" 4496 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.46 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "haloperidol decanoate" 4496 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.24 "Ki" "CHEMBL" "=" "Tchem" "Homo sapiens" "haloperidol decanoate" 4496 "D(1A) dopamine receptor" "GPCR" "P50130" "DRD1" "DRD1_PIG" 6.85 "Ki" "CHEMBL" "=" "Sus scrofa" "estradiol acetate" 4497 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action; CHEMBL206; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200430" "AGONIST" "Tclin" "Homo sapiens" "paliperidone palmitate" 4498 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.89 "IC50" "Inhibition of human ERG channel" "CHEMBL" "=" "Tclin" "Homo sapiens" "paliperidone palmitate" 4498 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "paliperidone palmitate" 4498 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/022264s013s014lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "armodafinil" 4501 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.921 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "armodafinil" 4501 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 4.41 "Ki" "Displacement of [3H]N-methylspiperone from human D3R expressed in HEK293 cell membranes incubated for 1 hr by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "armodafinil" 4501 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.497 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201192" "INHIBITOR" "Tclin" "Homo sapiens" "armodafinil" 4501 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "armodafinil" 4501 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "armodafinil" 4501 "Cytochrome P450 2C19" "Enzyme" "P33261" "CYP2C19" "CP2CJ_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "armodafinil" 4501 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 5.49 "Ki" "Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes" "CHEMBL" "=" "Rattus norvegicus" "hydrocortisone valerate" 4504 "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/CHEMBL1200562" "AGONIST" "Tclin" "Homo sapiens" "choline fenofibrate" 4505 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.46 "Ki" "Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201745" "AGONIST" "Tclin" "Homo sapiens" "choline fenofibrate" 4505 "Fatty acid-binding protein, intestinal" "Cytosolic other" "P12104" "FABP2" "FABPI_HUMAN" 6 "Ki" "Displacement of 1-anilinonaphthalene-8-sulphonic acid from I-FABP" "CHEMBL" "=" "Tchem" "Homo sapiens" "choline fenofibrate" 4505 "Fatty acid-binding protein, liver" "Unclassified" "P02692" "Fabp1" "FABPL_RAT" 7.03 "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" "choline fenofibrate" 4505 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 4.96 "IC50" "Inhibition of URAT1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "halcinonide" 4507 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 9.135 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200845" "AGONIST" "Tclin" "Homo sapiens" "halcinonide" 4507 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.229 "Ki" "DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone)" "DRUG MATRIX" "=" "Rattus norvegicus" "halcinonide" 4507 "Progesterone receptor" "Transcription factor" "Q690N0" "PGR" "Q690N0_BOVIN" 9.917 "Ki" "DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020)" "DRUG MATRIX" "=" "Bos taurus" "racepinefrine" 4508 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 5 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "racepinefrine" 4508 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "racepinefrine" 4508 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 5.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "lithium citrate" 4512 "Glycogen synthase kinase-3" "Kinase" "P49840|P49841" "GSK3A|GSK3B" "GSK3A_HUMAN|GSK3B_HUMAN" "Mechanism of Action; CHEMBL2095188; PROTEIN FAMILY" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201170" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "lithium citrate" 4512 "Inositol-1(or 4)-monophosphatase 1" "Enzyme" "P29218" "IMPA1" "IMPA1_HUMAN" "Mechanism of Action; CHEMBL1786; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201170" "INHIBITOR" "Tclin" "Homo sapiens" "teriparatide" 4514 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "Q03431" "PTH1R" "PTH1R_HUMAN" 7.4 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL525610" "AGONIST" "Tclin" "Homo sapiens" "teriparatide" 4514 "Parathyroid hormone 2 receptor" "GPCR" "P49190" "PTH2R" "PTH2R_HUMAN" 7.8 "IC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "teriparatide" 4514 "Parathyroid hormone 2 receptor" "GPCR" "P70555" "Pth2r" "PTH2R_RAT" 6.3 "IC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "teriparatide" 4514 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "P25961" "Pth1r" "PTH1R_RAT" 8.7 "IC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "tetracosactide" 4516 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 9.19 "EC50" "Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "tetracosactide" 4516 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" 8.268 "Ki" "125I-ACTH binding in OS3 cells expressing hMC2R wild type" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/17877367" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103784" "AGONIST" "Tclin" "Homo sapiens" "quinine" 4523 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "quinine" 4523 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 4.92 "Ki" "High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model" "CHEMBL" "=" "Tchem" "Homo sapiens" "quinine" 4523 "Hemoglobin subunit alpha" "Secreted" "P69905" "HBA1" "HBA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "quinine" 4523 "Potassium voltage-gated channel subfamily B member 2" "Ion channel" "Q92953" "KCNB2" "KCNB2_HUMAN" 4.9 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "quinine" 4523 "Solute carrier family 22 member 1" "Transporter" "O15245" "SLC22A1" "S22A1_HUMAN" 4.29 "IC50" "Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy" "CHEMBL" "=" "Tchem" "Homo sapiens" "quinine" 4523 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P35498|Q99250|Q9NY46" "SCN1A|SCN2A|SCN3A" "SCN1A_HUMAN|SCN2A_HUMAN|SCN3A_HUMAN" 5.36 "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" "quinine" 4523 "Equilibrative nucleoside transporter 4" "Transporter" "Q7RTT9" "SLC29A4" "S29A4_HUMAN" 4.57 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "fenbendazole" 4536 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.496 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "fenbendazole" 4536 "Beta-lactamase 1" "Enzyme" "P10424" "penPC" "BLA1_BACCE" 5.222 "IC50" "DRUGMATRIX: beta-Lactamase enzyme inhibition (substrate: Nitrocefin)" "DRUG MATRIX" "=" "Bacillus cereus" "fluticasone furoate" 4554 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 10.12 "IC50" "Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-stimulated IL-6 cytokine synthesis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1676" "AGONIST" "Tclin" "Homo sapiens" "fluticasone furoate" 4554 "Mineralocorticoid receptor" "Nuclear hormone receptor" "P08235" "NR3C2" "MCR_HUMAN" 6.83 "IC50" "Displacement of [3H]-aldosterone from N terminal maltose binding protein tagged human mineralocorticoid receptor LBD (726 to 984 residues) expressed in baculovirus infected high five cells after 8 hrs by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "fluticasone furoate" 4554 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 7.68 "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" "fluticasone furoate" 4554 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 5.73 "IC50" "Displacement of fluormone labelled AL green from rat recombinant His/GST-tagged androgen receptor LBD after 4 to 6 hrs by fluorescence polarization assay" "CHEMBL" "=" "Rattus norvegicus" "fluticasone furoate" 4554 "Glucocorticoid receptor" "Transcription factor" "P06536" "Nr3c1" "GCR_RAT" 8.3 "IC50" "CHEMBL" "=" "Rattus norvegicus" "fluticasone furoate" 4554 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" 7.68 "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" "gepirone" 4562 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.24 "Ki" "Binding affinity to D2 receptor by radioligand binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "gepirone" 4562 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.89 "Ki" "Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "gepirone" 4562 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 5.44 "Ki" "Binding affinity to 5-HT2A (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "gepirone" 4562 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.5 "Ki" "In vitro ability to displace [3H]8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus" "CHEMBL" "=" "Rattus norvegicus" "gepirone" 4562 "Serotonin 1 (5-HT1) receptor" "GPCR" "P19327|P28564|P28565|P30940" "Htr1a|Htr1b|Htr1d|Htr1f" "5HT1A_RAT|5HT1B_RAT|5HT1D_RAT|5HT1F_RAT" 6.17 "IC50" "Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT" "CHEMBL" "=" "Rattus norvegicus" "gepirone" 4562 "Adrenergic receptor alpha-1" "GPCR" "P15823|P23944|P43140" "Adra1b|Adra1d|Adra1a" "ADA1B_RAT|ADA1D_RAT|ADA1A_RAT" 5.62 "Ki" "Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells" "CHEMBL" "=" "Rattus norvegicus" "sodium oxybate" 4566 "GABA-B receptor" "GPCR" "O75899|Q9UBS5" "GABBR2|GABBR1" "GABR2_HUMAN|GABR1_HUMAN" "Mechanism of Action; CHEMBL2111463; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1342" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sodium oxybate" 4566 "Gamma-hydroxybutyrate receptor" "Unclassified" "Q6RY99" "Tspan17" "Q6RY99_RAT" 5.18 "IC50" "Binding affinity towards [3H]GHB binding site" "CHEMBL" "=" "Rattus norvegicus" "hydrochloric acid" 4568 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 4.05 "Ki" "Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV" "CHEMBL" "=" "Tclin" "Homo sapiens" "hydrocortisone probutate" 4569 "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/CHEMBL1200953" "AGONIST" "Tclin" "Homo sapiens" "iclaprim" 4573 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 6.11 "Ki" "Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "iclaprim" 4573 "Dihydrofolate reductase" "Enzyme" "P16184" "DYR_PNECA" 5.62 "IC50" "Inhibition of Pneumocystis carinii dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP)" "CHEMBL" "=" "Pneumocystis carinii" "iclaprim" 4573 "Dihydrofolate reductase" "Enzyme" "B0BL08" "dfrA17" "B0BL08_ECOLX" 8.15 "IC50" "Inhibition of Escherichia coli dihydrofolate reductase (DHFR) enzyme by trimethoprim (TMP)" "CHEMBL" "=" "Escherichia coli" "iclaprim" 4573 "Dihydrofolate reductase" "Enzyme" "P0A017" "folA" "DYR_STAAU" 10.1 "Ki" "Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH" "CHEMBL" "=" "Staphylococcus aureus" "levomethadone" 4586 "Opioid receptor" "GPCR" "P33533|P33535|P34975|Q9R0C9" "Oprd1|Oprm1|Oprk1|Sigmar1" "OPRD_RAT|OPRM_RAT|OPRK_RAT|SGMR1_RAT" 8.7 "Ki" "Inhibition of [3H]- naloxone binding to Opioid receptors in rat brain membrane in the absence of Na" "CHEMBL" "=" "Rattus norvegicus" "linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 2" "Ion channel" "O43526" "KCNQ2" "KCNQ2_HUMAN" 5.3 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 5" "Ion channel" "Q9NR82" "KCNQ5" "KCNQ5_HUMAN" 4.8 "Kd" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 4" "Ion channel" "P56696" "KCNQ4" "KCNQ4_HUMAN" 4.9 "IC50" "IUPHAR" "=" "BLOCKER" "Tclin" "Homo sapiens" "linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 3" "Ion channel" "O88944" "Kcnq3" "KCNQ3_RAT" 5.4 "IC50" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "linopirdine" 4588 "Potassium voltage-gated channel subfamily KQT member 1" "Ion channel" "P97414" "Kcnq1" "KCNQ1_MOUSE" 4.4 "IC50" "IUPHAR" "=" "INHIBITOR" "Mus musculus" "diosmetin" 4601 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" 5.52 "IC50" "Inhibition of MRP1" "CHEMBL" "=" "Tchem" "Homo sapiens" "diosmetin" 4601 "Cytochrome P450 1B1" "Enzyme" "Q16678" "CYP1B1" "CP1B1_HUMAN" 7.54 "IC50" "Inhibition of human CYP1B1 by EROD assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "diosmetin" 4601 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.55 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "diosmetin" 4601 "Lysine-specific histone demethylase 1A" "Enzyme" "O60341" "KDM1A" "KDM1A_HUMAN" 4.55 "IC50" "Inhibition of LSD1 (unknown origin) by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "diosmetin" 4601 "Inositol polyphosphate multikinase" "Kinase" "Q8NFU5" "IPMK" "IPMK_HUMAN" 5.14 "IC50" "Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "diosmetin" 4601 "Inositol hexakisphosphate kinase 2" "Kinase" "Q9UHH9" "IP6K2" "IP6K2_HUMAN" 6.05 "IC50" "Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "tonzonium" 4605 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 4.27 "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" "tonzonium" 4605 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q63470" "Dyrk1a" "DYR1A_RAT" 5.03 "AC50" "active" "CHEMBL" "=" "Rattus norvegicus" "clocortolone pivalate" 4606 "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/CHEMBL1200975" "AGONIST" "Tclin" "Homo sapiens" "trypan blue" 4608 "Tyrosine-protein phosphatase non-receptor type 1" "Enzyme" "P18031" "PTPN1" "PTN1_HUMAN" 5.41 "IC50" "Inhibition of human PTPase 1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "trypan blue" 4608 "Tyrosine-protein phosphatase 1" "Enzyme" "P25044" "PTP1" "PTP1_YEAST" 5.13 "IC50" "Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "testosterone enantate" 4609 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" "Mechanism of Action; CHEMBL1871; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200335" "AGONIST" "Tclin" "Homo sapiens" "stearic acid" 4611 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 5.96 "IC50" "Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "stearic acid" 4611 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.52 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "stearic acid" 4611 "Fatty acid-binding protein, adipocyte" "Cytosolic other" "P15090" "FABP4" "FABP4_HUMAN" 4.1 "Kd" "Binding affinity against Adipocyte lipid binding protein" "CHEMBL" "=" "Tchem" "Homo sapiens" "stearic acid" 4611 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.22 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "stearic acid" 4611 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 5.44 "Ki" "Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1 min intervals for 30 mins by Cornish-Bowden plot analysis" "CHEMBL" "=" "Electrophorus electricus" "N-Acetylglucosamine" 4615 "Killer cell lectin-like receptor subfamily B member 1A" "Unclassified" "P27471" "Klrb1a" "KLRBA_RAT" 5.7 "IC50" "Binding affinity to fluorescein-labeled rat NKR-P1A after 2 hrs by fluorescence assay" "CHEMBL" "=" "Rattus norvegicus" "methylnaltrexone" 4616 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 7.55 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1186579" "ANTAGONIST" "Tclin" "Homo sapiens" "methylnaltrexone" 4616 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.1 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "methylnaltrexone" 4616 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 6.65 "Ki" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "methylnaltrexone" 4616 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 6.05 "Ki" "Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "methylnaltrexone" 4616 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.7 "Ki" "Displacement of [3H]DPN from guinea pig kappa opioid receptor expressed in CHOK1 cell membranes" "CHEMBL" "=" "Cavia porcellus" "linolenic acid" 4618 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 5.4 "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" "linolenic acid" 4618 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 4.35 "IC50" "Inhibition of aromatase in human placental microsomes by radiometric method" "CHEMBL" "=" "Tclin" "Homo sapiens" "linolenic acid" 4618 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 8.1 "Kd" "Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "linolenic acid" 4618 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.7 "Kd" "Binding affinity to PPARgamma" "CHEMBL" "=" "Tclin" "Homo sapiens" "linolenic acid" 4618 "Fatty acid-binding protein, heart" "Cytosolic other" "P05413" "FABP3" "FABPH_HUMAN" 8.56 "Kd" "Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "linolenic acid" 4618 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.8 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "linolenic acid" 4618 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 5.52 "EC50" "Agonist activity at human FFA1 receptor expressed in human 1321N1 cells measured for 50 intervals of 0.4 secs by calcium mobilization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "linolenic acid" 4618 "Tissue factor" "Membrane receptor" "P13726" "F3" "TF_HUMAN" 4.52 "IC50" "Inhibition of amidolytic activity of human tissue factor/human factor 7a" "CHEMBL" "=" "Tchem" "Homo sapiens" "linolenic acid" 4618 "Prostaglandin G/H synthase 2" "Enzyme" "P79208" "PTGS2" "PGH2_SHEEP" 4.92 "IC50" "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "Ovis aries" "linolenic acid" 4618 "Prostaglandin G/H synthase 1" "Enzyme" "O62664" "PTGS1" "PGH1_BOVIN" 4.03 "IC50" "Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid" "CHEMBL" "=" "Bos taurus" "levomenol" 4619 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.51 "IC50" "Antagonist activity at human alpha7 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced currents at -70 mV holding potential by electrophysiology" "CHEMBL" "=" "Tchem" "Homo sapiens" "levomenol" 4619 "Signal transducer and activator of transcription 3" "Transcription factor" "P40763" "STAT3" "STAT3_HUMAN" 4.14 "IC50" "Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after 6 hrs" "CHEMBL" "=" "Tchem" "Homo sapiens" "levomenol" 4619 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.51 "IC50" "Antagonist activity at human alpha7 nACHR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced currents at -70 mV holding potential by electrophysiology" "CHEMBL" "=" "Tchem" "Homo sapiens" "levomefolic acid" 4621 "Thymidylate synthase" "Enzyme" "P04818" "TYMS" "TYSY_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "linaclotide" 4622 "Heat-stable enterotoxin receptor" "Enzyme" "P23897" "Gucy2c" "GUC2C_RAT" 8.38 "Ki" "Competitive-inhibition of [125I]-STa binding to rat intestinal mucosa" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "linaclotide" 4622 "Heat-stable enterotoxin receptor" "Enzyme" "P25092" "GUCY2C" "GUC2C_HUMAN" 8.907 "Ki" "competitive radioligand binding assay with [125I]-STa" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20863829" "https://pubmed.ncbi.nlm.nih.gov/20863829" "AGONIST" "Tclin" "Homo sapiens" "spinosad" 4623 "Nicotinic acetylcholine receptor" "Ion channel" "E0VB18|E0VB20|E0VDF4|E0VDF5|E0VDF7|E0VP62" "E0VB18_PEDHC|E0VB20_PEDHC|E0VDF4_PEDHC|E0VDF5_PEDHC|E0VDF7_PEDHC|E0VP62_PEDHC" "Mechanism of Action; CHEMBL2364023; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2040681" "AGONIST" "Pediculus humanus subsp. corporis" "phenylacetic acid" 4624 "Aldose reductase" "Enzyme" "P15121" "AKR1B1" "ALDR_HUMAN" 4.02 "IC50" "Inhibition of aldose reductase" "CHEMBL" "=" "Tclin" "Homo sapiens" "sincalide" 4627 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 9.55 "Ki" "Displacement of radiolabeled CCK-8s from human CCK1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "sincalide" 4627 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 9.55 "Ki" "Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B receptor in guinea pig brain" "CHEMBL" "=" "Tclin" "Homo sapiens" "sincalide" 4627 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 10.05 "Ki" "Binding affinity for Cholecystokinin type A receptor using [125I]BH-CCK-8 in rat pancreatic tissue" "CHEMBL" "=" "Rattus norvegicus" "sincalide" 4627 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 9.39 "Ki" "Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "sincalide" 4627 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 9.52 "IC50" "Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex" "CHEMBL" "=" "Mus musculus" "sincalide" 4627 "Cholecystokinin receptor type A" "GPCR" "Q63931" "CCKAR" "CCKAR_CAVPO" 9.55 "Ki" "Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes" "CHEMBL" "=" "Cavia porcellus" "sincalide" 4627 "Cholecystokinin receptor" "GPCR" "O08786|P56481" "Cckar|Cckbr" "CCKAR_MOUSE|GASR_MOUSE" 9.52 "Ki" "Potency in displacing [3H]propionyl-Cholecystokinin from mouse brain membranes." "CHEMBL" "=" "Mus musculus" "enzalutamide" 4628 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.31 "EC50" "Displacement of [3H]R1881 from AR in human MDA-MB-453 cells" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1082407" "ANTAGONIST" "Tclin" "Homo sapiens" "enzalutamide" 4628 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 6.53 "IC50" "Displacement of fluormone-DHT green from His/GST-tagged rat AR ligand binding domain after 4 to 8 hrs by fluorescence polarization assay" "CHEMBL" "=" "Rattus norvegicus" "sodium pyrophosphate" 4630 "Farnesyl pyrophosphate synthase" "Enzyme" "P14324" "FDPS" "FPPS_HUMAN" 4.53 "Ki" "Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "nitroprusside" 4631 "Atrial natriuretic peptide receptor 1" "Enzyme" "P16066" "NPR1" "ANPRA_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "nitroprusside" 4631 "Soluble guanylate cyclase" "Enzyme" "O75343|P33402|Q02108|Q02153" "GUCY1B2|GUCY1A2|GUCY1A3|GUCY1B3" "GCYB2_HUMAN|GCYA2_HUMAN|GCYA3_HUMAN|GCYB1_HUMAN" "Mechanism of Action; CHEMBL2111348; PROTEIN COMPLEX GROUP" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2097081" "ACTIVATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "trabectedin" 4633 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.68 "IC50" "Inhibition of Src" "CHEMBL" "=" "Tclin" "Homo sapiens" "trabectedin" 4633 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O54915" "Nr1i2" "NR1I2_MOUSE" 8.52 "IC50" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "teriflunomide" 4634 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q02127" "DHODH" "PYRD_HUMAN" 7.52 "Ki" "Inhibition of human recombinant DHODH" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL973" "INHIBITOR" "Tclin" "Homo sapiens" "teriflunomide" 4634 "Dihydrofolate reductase" "Enzyme" "P00374" "DHFR" "DYR_HUMAN" 6.41 "IC50" "Inhibition of recombinant human N-terminal truncated GST-tagged DHFR (31 to 395 residues) expressed in Escherichia coli BL21(DE3) pyrD using DHO as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by DCIP oxidation based CoQ10 enzyme coupled assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "teriflunomide" 4634 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "Q63707" "Dhodh" "PYRD_RAT" 8.05 "IC50" "Inhibitory activity against rat dihydroorotate dehydrogenase" "CHEMBL" "=" "Rattus norvegicus" "teriflunomide" 4634 "Dihydroorotate dehydrogenase (quinone), mitochondrial" "Enzyme" "O35435" "Dhodh" "PYRD_MOUSE" 7.16 "IC50" "Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse" "CHEMBL" "=" "Mus musculus" "teriflunomide" 4634 "Dihydroorotate dehydrogenase" "Enzyme" "Q54A96" "dhod" "Q54A96_PLAFA" 4.66 "Ki" "Inhibition of ubiquinone binding site of Plasmodium falciparum dihydroorotate dehydrogenase" "CHEMBL" "=" "Plasmodium falciparum" "Choline C-11" 4635 "High affinity choline transporter 1" "Transporter" "Q8BGY9" "Slc5a7" "SC5A7_MOUSE" 6.17 "Ki" "Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome" "CHEMBL" "=" "Mus musculus" "rose bengal" 4637 "Beta-lactamase" "Enzyme" "P00811" "ampC" "AMPC_ECOLI" 6.33 "IC50" "Inhibitory activity against beta-lactamase in the presence of 5 mM KPi concentration of buffer" "CHEMBL" "=" "Escherichia coli (strain K12)" "rose bengal" 4637 "Vesicular acetylcholine transporter" "Transporter" "Q62666" "Slc18a3" "VACHT_RAT" 5.01 "IC50" "Inhibition of VACHT in rat synaptic vesicles assessed as [3H]HT uptake pretreated for 30 mins measured after 10 mins by scintillation spectrophotometer analysis" "CHEMBL" "=" "Rattus norvegicus" "rose bengal" 4637 "Chymotrypsin C" "Enzyme" "Q99895" "CTRC" "CTRC_HUMAN" 4.3 "IC50" "Inhibitory activity against chymotrypsinogen" "CHEMBL" "=" "Tchem" "Homo sapiens" "rose bengal" 4637 "Beta-galactosidase" "Enzyme" "P16278" "GLB1" "BGAL_HUMAN" 4.1 "IC50" "Inhibition of Beta-galactosidase" "CHEMBL" "=" "Tchem" "Homo sapiens" "rose bengal" 4637 "Protein translocase subunit SecA 1" "Unclassified" "O06446" "secA1" "SECA1_STAA8" 6.3 "IC50" "Inhibition of Staphylococcus aureus ATCC 35556 SecA1 liposomal ion channel activity in Xenopus laevis oocytes incubated for 3 hrs measured by recording ion current for 1 min" "CHEMBL" "=" "Staphylococcus aureus" "rose bengal" 4637 "Protein translocase subunit SecA 2" "Unclassified" "Q2FUW6" "secA2" "SECA2_STAA8" 5.7 "IC50" "Inhibition of Staphylococcus aureus ATCC 35556 SecA2 expressed in Escherichia coli BL21-gammaDE3 assessed as reduction in intrinsic ATPase activity incubated for 3 hrs measured by malachite green colorimetric method" "CHEMBL" "=" "Staphylococcus aureus" "levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q8HZ64" "TAAR1" "TAAR1_MACMU" 5.6 "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" "levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q923Y9" "Taar1" "TAAR1_RAT" 6.63 "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" "levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q923Y8" "Taar1" "TAAR1_MOUSE" 6.07 "EC50" "Activation of mouse wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay" "CHEMBL" "=" "Mus musculus" "levmetamfetamine" 4641 "Trace amine-associated receptor 1" "GPCR" "Q96RJ0" "TAAR1" "TAAR1_HUMAN" 5.48 "EC50" "Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22037049" "AGONIST" "Tclin" "Homo sapiens" "dodecanoic acid" 4642 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dodecanoic acid" 4642 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 4.52 "IC50" "Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "dodecanoic acid" 4642 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 4.52 "IC50" "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dodecanoic acid" 4642 "Free fatty acid receptor 1" "GPCR" "O14842" "FFAR1" "FFAR1_HUMAN" 6.12 "EC50" "Agonist activity at FFA1 receptor (unknown origin) expressed in human 132N1 cells measured for 90 secs by Fura-2 AM dye based calcium mobilization assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dodecanoic acid" 4642 "G-protein coupled receptor 84" "GPCR" "Q9NQS5" "GPR84" "GPR84_HUMAN" 5.05 "EC50" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "fluorometholone acetate" 4647 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.347 "Ki" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201064" "AGONIST" "Tclin" "Homo sapiens" "eugenol" 4648 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 4.96 "IC50" "Inhibition of COX1" "CHEMBL" "=" "Tclin" "Homo sapiens" "eugenol" 4648 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.58 "IC50" "Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method" "CHEMBL" "=" "Tclin" "Homo sapiens" "eugenol" 4648 "Arachidonate 5-lipoxygenase" "Enzyme" "P09917" "ALOX5" "LOX5_HUMAN" 4.58 "IC50" "Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Glycine receptor subunit alpha-1" "Ion channel" "P23415" "GLRA1" "GLRA1_HUMAN" 5.74 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.82 "IC50" "Inhibition of PDGFR beta (561 to 1106 residues) (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.21 "IC50" "Inhibition of wild type KIT (unknown origin) using biotinylated poly-Glu-Tyr as substrate preincubated for 30 mins followed by substrate addition in presence of ATP by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 8.82 "IC50" "Inhibition of RAF1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 7.55 "IC50" "Inhibition of wild-type B-Raf" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946170" "INHIBITOR" "Tclin" "Homo sapiens" "regorafenib" 4654 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.09 "IC50" "Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using Her2 peptide as substrate measured after 4 hrs in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 8.82 "IC50" "Inhibition of VEGFR1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.9 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1946170" "INHIBITOR" "Tclin" "Homo sapiens" "regorafenib" 4654 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 8.82 "IC50" "Inhibition of GST-tagged TIE2 (unknown origin) using biotin-Ahx-EPKDDAYPLYSDFG peptide as substrate by HTRF method" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 8.82 "IC50" "Inhibition of FGFR1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Bifunctional epoxide hydrolase 2" "Enzyme" "P34913" "EPHX2" "HYES_HUMAN" 9.3 "IC50" "Inhibition of human recombinant soluble epoxide hydrolase assessed as cyano(6-methoxy-naphthalen-2-yl)methyl trans-[(3-phenyloxyran-2-yl)methyl] carbonate conversion to 6-methoxy-2-naphthaldehyde preincubated for 5 mins prior to substrate addition by fluorescence assay" "CHEMBL" "=" "INHIBITOR" "Tchem" "Homo sapiens" "regorafenib" 4654 "Vascular endothelial growth factor receptor 2" "Kinase" "P35918" "Kdr" "VGFR2_MOUSE" 8.82 "IC50" "Inhibition of mouse VEGFR-2 (785 to 1376 residues)" "CHEMBL" "=" "Mus musculus" "regorafenib" 4654 "Vascular endothelial growth factor receptor 3" "Kinase" "P35917" "Flt4" "VGFR3_MOUSE" 8.82 "IC50" "Inhibition of mouse VEGFR-3 (818 to 1363 residues)" "CHEMBL" "=" "Mus musculus" "regorafenib" 4654 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 8.82 "IC50" "Inhibition of RAF1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.82 "IC50" "Inhibition of PDGFR beta (561 to 1106 residues) (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 8.82 "IC50" "Inhibition of FGFR1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 8.82 "IC50" "Inhibition of VEGFR1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Vascular endothelial growth factor receptor 3" "Kinase" "P35917" "Flt4" "VGFR3_MOUSE" 8.82 "IC50" "Inhibition of mouse VEGFR-3 (818 to 1363 residues)" "CHEMBL" "=" "Mus musculus" "regorafenib" 4654 "Vascular endothelial growth factor receptor 2" "Kinase" "P35918" "Kdr" "VGFR2_MOUSE" 8.82 "IC50" "Inhibition of mouse VEGFR-2 (785 to 1376 residues)" "CHEMBL" "=" "Mus musculus" "regorafenib" 4654 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.09 "IC50" "Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using Her2 peptide as substrate measured after 4 hrs in presence of ATP by Kinase-Glo Plus reagent-based luminescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "regorafenib" 4654 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 8.82 "IC50" "Inhibition of GST-tagged TIE2 (unknown origin) using biotin-Ahx-EPKDDAYPLYSDFG peptide as substrate by HTRF method" "CHEMBL" "=" "Tclin" "Homo sapiens" "tedisamil" 4655 "Potassium voltage-gated channel subfamily A member 7" "Ion channel" "Q17ST2" "Kcna7" "KCNA7_MOUSE" 4.7 "IC50" "IUPHAR" "=" "BLOCKER" "Mus musculus" "metamizole" 4659 "Transient receptor potential cation channel subfamily A member 1" "Ion channel" "O75762" "TRPA1" "TRPA1_HUMAN" 4.041 "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" "methylatropine" 4660 "Muscarinic acetylcholine receptor M2" "GPCR" "P10980" "Chrm2" "ACM2_RAT" 8.57 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M2 in rat heart was determined using [3H]pirenzepine" "CHEMBL" "=" "Rattus norvegicus" "methylatropine" 4660 "Muscarinic acetylcholine receptor M1" "GPCR" "P08482" "Chrm1" "ACM1_RAT" 8.6 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M1 in rat cerebral cortex was determined using [3H]pirenzepine" "CHEMBL" "=" "Rattus norvegicus" "methylatropine" 4660 "Muscarinic acetylcholine receptor M3" "GPCR" "P08483" "Chrm3" "ACM3_RAT" 8.59 "Kd" "In vitro receptor binding against Muscarinic acetylcholine receptor M3 in rat submandibular gland was determined using [3H]pirenzepine" "CHEMBL" "=" "Rattus norvegicus" "methylatropine" 4660 "Muscarinic acetylcholine receptor DM1" "GPCR" "P16395" "mAChR-A" "ACM1_DROME" 8.62 "Ki" "CHEMBL" "=" "Drosophila melanogaster" "benzoin" 4663 "Liver carboxylesterase 1" "Enzyme" "P23141" "CES1" "EST1_HUMAN" 5.14 "Ki" "Inhibition constant against human liver carboxylesterase (hCE1) expressed in Sf21 cells using 3 mM o-NPA" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzoin" 4663 "Cocaine esterase" "Enzyme" "O00748" "CES2" "EST2_HUMAN" 5.65 "Ki" "Inhibition constant against human intestinal carboxylesterase (hiCE) expressed in Sf21 cells using 3 mM o-NPA" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzoic acid" 4664 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.86 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "benzoic acid" 4664 "D-amino-acid oxidase" "Enzyme" "P14920" "DAO" "OXDA_HUMAN" 5.7 "Ki" "Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine" "CHEMBL" "=" "Tchem" "Homo sapiens" "benzoic acid" 4664 "Nicotinate phosphoribosyltransferase" "Enzyme" "Q6XQN6" "NAPRT" "PNCB_HUMAN" 8.72 "Ki" "Inhibition of NAPRT (unknown origin)" "CHEMBL" "=" "Tbio" "Homo sapiens" "betamethasone phosphate" 4667 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.932 "Ki" "DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 5.776 "Ki" "DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 5.866 "Ki" "DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 5.779 "Ki" "DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "betamethasone phosphate" 4667 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 5.248 "Ki" "DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "betamethasone phosphate" 4667 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" 8.428 "Ki" "DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone)" "DRUG MATRIX" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201207" "AGONIST" "Tclin" "Homo sapiens" "metizoline" 4671 "Nischarin" "Membrane receptor" "Q9Y2I1" "NISCH" "NISCH_HUMAN" 9.2 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "metizoline" 4671 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 5.83 "Ki" "CHEMBL" "=" "Rattus norvegicus" "metizoline" 4671 "Amine oxidase [flavin-containing] A" "Enzyme" "P21396" "Maoa" "AOFA_RAT" 4.86 "Ki" "CHEMBL" "=" "Rattus norvegicus" "metizoline" 4671 "Nischarin" "Unclassified" "Q4G017" "Nisch" "NISCH_RAT" 8.89 "Ki" "CHEMBL" "=" "Rattus norvegicus" "nalfurafine" 4673 "Orexin receptor type 1" "GPCR" "O43613" "HCRTR1" "OX1R_HUMAN" 6.6 "Ki" "Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15 mins followed by orexin A addition by Fura-2-AM dye based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "nalfurafine" 4673 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 9.14 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "nalfurafine" 4673 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 7.13 "EC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "nalfurafine" 4673 "Nociceptin receptor" "GPCR" "P41146" "OPRL1" "OPRX_HUMAN" 6.833 "Ki" "PDSP" "Tchem" "Homo sapiens" "nalfurafine" 4673 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 9.26 "EC50" "Inhibition of ERK1 phosphorylation (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "nalfurafine" 4673 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 9.26 "EC50" "Inhibition of ERK2 phosphorylation (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "nalfurafine" 4673 "Mu-type opioid receptor" "GPCR" "P42866" "Oprm1" "OPRM_MOUSE" 9.37 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum" "CHEMBL" "=" "Mus musculus" "nalfurafine" 4673 "Mu-type opioid receptor" "GPCR" "P97266" "OPRM1" "OPRM_CAVPO" 9.24 "Ki" "Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain" "CHEMBL" "=" "Cavia porcellus" "nalfurafine" 4673 "Delta-type opioid receptor" "GPCR" "P32300" "Oprd1" "OPRD_MOUSE" 7.29 "Ki" "Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum" "CHEMBL" "=" "Mus musculus" "nalfurafine" 4673 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 9.43 "Ki" "CHEMBL" "=" "Rattus norvegicus" "nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 9.75 "Ki" "Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum" "CHEMBL" "=" "Cavia porcellus" "nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 9.3 "EC50" "Agonist activity at GFP-tagged rat kappa opioid receptor expressed in HEK293 cells assessed as increase in ERK1/2 phosphorylation after 5 mins by Western blot analysis" "CHEMBL" "=" "Rattus norvegicus" "nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P33534" "Oprk1" "OPRK_MOUSE" 9.75 "Ki" "CHEMBL" "=" "Mus musculus" "nalfurafine" 4673 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 9.26 "EC50" "Inhibition of ERK1 phosphorylation (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "nalfurafine" 4673 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 9.26 "EC50" "Inhibition of ERK2 phosphorylation (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P34975" "Oprk1" "OPRK_RAT" 9.3 "EC50" "Agonist activity at GFP-tagged rat kappa opioid receptor expressed in HEK293 cells assessed as increase in ERK1/2 phosphorylation after 5 mins by Western blot analysis" "CHEMBL" "=" "Rattus norvegicus" "nalfurafine" 4673 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.64 "Ki" "Binding affinity to kappa opioid receptor" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/16251241" "AGONIST" "Tclin" "Homo sapiens" "obidoxime" 4676 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 4.67 "Kd" "Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman method" "CHEMBL" "=" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase" "Enzyme" "Q9XYC7" "HDAC1" "Q9XYC7_PLAFA" 8.74 "IC50" "Inhibition of Plasmodium falciparum HDAC1 expressed in Drosophila melanogaster S2 cells" "CHEMBL" "=" "Plasmodium falciparum" "panobinostat" 4682 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 8.3 "IC50" "Inhibition of BRD4 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 8" "Unclassified" "A5H660" "HDAC8" "A5H660_SCHMA" 6.35 "IC50" "Inhibition of Schistosoma mansoni KDAC8 using (FAM)-labeled peptide as substrate after 60 mins by microfluidic assay" "CHEMBL" "=" "Schistosoma mansoni" "panobinostat" 4682 "Histone deacetylase 5" "Enzyme" "Q9UQL6" "HDAC5" "HDAC5_HUMAN" 9.15 "Ki" "Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 9.19 "Ki" "Inhibition of human HDAC2" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 9 "Ki" "Inhibition of human HDAC1" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 8.96 "Ki" "Inhibition of human HDAC3" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 9.15 "Ki" "Competitive inhibition of HDAC6 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 7" "Enzyme" "Q8WUI4" "HDAC7" "HDAC7_HUMAN" 8.64 "Ki" "Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 7.66 "Ki" "Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 4" "Enzyme" "P56524" "HDAC4" "HDAC4_HUMAN" 9.22 "Ki" "Competitive inhibition of HDAC4 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 9" "Enzyme" "Q9UKV0" "HDAC9" "HDAC9_HUMAN" 8.92 "Ki" "Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.51 "Ki" "Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "panobinostat" 4682 "Histone deacetylase 11" "Enzyme" "Q96DB2" "HDAC11" "HDA11_HUMAN" 8.46 "Ki" "Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205353s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "paraoxon" 4683 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 7.23 "IC50" "Inhibition of esterase activity of human carbonic anhydrase 2 by CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "paraoxon" 4683 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 6.47 "IC50" "Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "paraoxon" 4683 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 8 "IC50" "Inhibition of human AChE using p-nitrophenyl acetate as substrate measured for 30 secs by spectrophotometric analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "paraoxon" 4683 "Cholinesterase" "Enzyme" "P06276" "BCHE" "CHLE_HUMAN" 8.15 "IC50" "Inhibition of human BChE using butyrylthiocholine as substrate measured for 30 secs by Ellman's method" "CHEMBL" "=" "Tclin" "Homo sapiens" "paraoxon" 4683 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 5.99 "IC50" "Inhibition of esterase activity of mouse carbonic anhydrase 13 by CO2 hydration method" "CHEMBL" "=" "Mus musculus" "paraoxon" 4683 "Acetylcholinesterase" "Enzyme" "P21836" "Ache" "ACES_MOUSE" 7.89 "IC50" "Displacement of acetylcholine from AChE in Swiss Webster mouse brain after 5 mins" "CHEMBL" "=" "Mus musculus" "paraoxon" 4683 "Cannabinoid receptor 1" "GPCR" "P47746" "Cnr1" "CNR1_MOUSE" 5.92 "IC50" "Displacement of [3H]CP-55940 from CB1 receptor in mouse brain" "CHEMBL" "=" "Mus musculus" "paraoxon" 4683 "Monoglyceride lipase" "Enzyme" "O35678" "Mgll" "MGLL_MOUSE" 5.92 "IC50" "Displacement of 2-arachidonylglycerol from MAGL in Swiss Webster mouse brain after 5 mins" "CHEMBL" "=" "Mus musculus" "paraoxon" 4683 "Fatty-acid amide hydrolase 1" "Enzyme" "O08914" "Faah" "FAAH1_MOUSE" 6.27 "IC50" "Inhibition of FAAH-mediated [3H]anandamide hydrolysis in mouse brain" "CHEMBL" "=" "Mus musculus" "perampanel" 4684 "Glutamate receptor ionotropic AMPA" "Ion channel" "P42261|P42262|P42263|P48058" "GRIA1|GRIA2|GRIA3|GRIA4" "GRIA1_HUMAN|GRIA2_HUMAN|GRIA3_HUMAN|GRIA4_HUMAN" 6.61 "IC50" "Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-3 assessed as inhibition of glutamate-induced increase in intracellular calcium levels after 2 mins followed by cyclothiazide/glutamate addition by fluorescence imaging plate reader method" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1214124" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pleconaril" 4690 "Nuclear receptor subfamily 1 group I member 2" "Nuclear hormone receptor" "O75469" "NR1I2" "NR1I2_HUMAN" 6.6 "EC50" "Activation of human PXR expressed in african green monkey CV1 cells transfected with pSG5-hPXRDATG and (ER6)3-tk-CAT reporter" "CHEMBL" "=" "Tchem" "Homo sapiens" "pleconaril" 4690 "Protease" "Enzyme" "Q4U254" "protease" "Q4U254_9ENTO" 7.24 "EC50" "Inhibition of HRV Protease 3CP (serotype 14)." "CHEMBL" "=" "Human rhinovirus sp" "pleconaril" 4690 "Genome polyprotein" "Unclassified" "Q7T664" "" "Q7T664_HRV1A" 8.4 "EC50" "Inhibition of Rhinovirus A89 capsid infected in human HeLa Rh cells assessed as reduction in virus-induced cytopathic effect after 3 days by MTS assay" "CHEMBL" "=" "Human rhinovirus 1A" "remikiren" 4696 "Renin" "Enzyme" "P00797" "REN" "RENI_HUMAN" 9.155 "IC50" "purified human renin" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1830563" "https://pubmed.ncbi.nlm.nih.gov/1830563" "INHIBITOR" "Tclin" "Homo sapiens" "esatenolol" 4702 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.82 "Ki" "Binding affinity to human adrenergic beta1 receptor by radioligand displacement assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "esatenolol" 4702 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 5 "Ki" "DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177)" "CHEMBL" "=" "Tclin" "Homo sapiens" "esatenolol" 4702 "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" "esatenolol" 4702 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 5 "Ki" "Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement" "CHEMBL" "=" "Rattus norvegicus" "esatenolol" 4702 "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" "esatenolol" 4702 "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" "semustine" 4704 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 5.744 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sodium aurothiomalate" 4706 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 6.074 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sodium aurothiomalate" 4706 "Thioredoxin reductase 1, cytoplasmic" "Enzyme" "Q16881" "TXNRD1" "TRXR1_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "sodium aurothiomalate" 4706 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.624 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "sodium aurothiomalate" 4706 "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" "sodium aurothiomalate" 4706 "Cathepsin L1" "Enzyme" "P07711" "CTSL" "CATL1_HUMAN" 4.05 "IC50" "Inhibitory concentration against human liver cathepsin L" "CHEMBL" "=" "Tclin" "Homo sapiens" "somatorelin" 4710 "Vasoactive intestinal polypeptide receptor 1" "GPCR" "P32241" "VIPR1" "VIPR1_HUMAN" 6.2 "Ki" "inhibition of [125I]-VIP binding to membranes from CHO cells stably expressing the recombinant receptor" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 8.481 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.66 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.34 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.96 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.48 "Kd" "Binding constant for RET(M918T) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.92 "Kd" "Binding constant for CAMK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 6.33 "Kd" "Binding constant for ROCK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 9.17 "Ki" "Inhibition of human recombinant GST-tagged JAK1 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay" "CHEMBL" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 5.7 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 9.24 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 6.38 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 5.57 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 6.22 "Kd" "Binding constant for RSK3(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.46 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.77 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 5.15 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.8 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.8 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.92 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 8.35 "Kd" "Binding affinity to DCamkL3" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 5.37 "Kd" "Binding affinity to MST2" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 6.27 "Kd" "Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.62 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.92 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 8.36 "Ki" "Inhibition of human recombinant GST-tagged TYK2 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay" "CHEMBL" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tofacitinib" 4713 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.92 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 5.17 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 5.85 "Kd" "Binding constant for RSK1(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.32 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 5.37 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.19 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase JAK3" "Kinase" "Q62137" "Jak3" "JAK3_MOUSE" 7.32 "IC50" "Inhibition of Jak3-mediated IL2-induced Stat5 phosphorylation in mouse CTLL cells by cell-based assay" "CHEMBL" "=" "Mus musculus" "tofacitinib" 4713 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.26 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase JAK2" "Kinase" "Q62120" "Jak2" "JAK2_MOUSE" 5.69 "IC50" "Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric analysis" "CHEMBL" "=" "Mus musculus" "tofacitinib" 4713 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 5.7 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "tofacitinib" 4713 "JAK1/TYK2" "Kinase" "P23458|P29597" "JAK1|TYK2" "JAK1_HUMAN|TYK2_HUMAN" 7.46 "IC50" "Inhibition of JAK1/TYK2 in human whole blood assessed as inhibition of IFN-alpha-induced STAT-3 phosphorylation preincubated for 45 mins followed by IFN-alpha addition measured after 15 mins by FACS analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tofacitinib" 4713 "JAK1/JAK2/TYK2" "Kinase" "O60674|P23458|P29597" "JAK2|JAK1|TYK2" "JAK2_HUMAN|JAK1_HUMAN|TYK2_HUMAN" 7.12 "IC50" "Inhibition of JAK1/JAK2/TYK2 in human whole blood assessed as inhibition of IL-6-induced STAT-1 phosphorylation preincubated for 45 mins followed by IL-6 addition measured after 15 mins by FACS analysis" "CHEMBL" "=" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tofacitinib" 4713 "JAK2/TYK2" "Kinase" "O60674|P29597" "JAK2|TYK2" "JAK2_HUMAN|TYK2_HUMAN" 6.64 "IC50" "Inhibition of JAK2/TYK2 in human whole blood assessed as inhibition of IL-23-induced STAT-3 phosphorylation preincubated for 45 mins followed by IL-23 addition measured after 15 mins by FACS analysis" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL221959" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tofacitinib" 4713 "Tyrosine-protein kinase JAK3" "Kinase" "Q63272" "Jak3" "JAK3_RAT" 5.92 "IC50" "Inhibition of JAK3 in rat splenocytic T cells assessed as reduction in IL-2-induced cell proliferation after 72 hrs by MTS assay" "CHEMBL" "=" "Rattus norvegicus" "tofacitinib" 4713 "JAK2/JAK1" "Kinase" "O60674|P23458" "JAK2|JAK1" "JAK2_HUMAN|JAK1_HUMAN" 6.391 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "tofacitinib" 4713 "JAK3/JAK1" "Kinase" "P23458|P52333" "JAK1|JAK3" "JAK1_HUMAN|JAK3_HUMAN" 7.252 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/203214s007lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cabozantinib" 4715 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 6.907 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tchem" "Homo sapiens" "cabozantinib" 4715 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.65 "IC50" "Inhibition of EGFR (unknown origin) by HTRF method" "CHEMBL" "=" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.75 "IC50" "Inhibition of Src (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.92 "IC50" "Inhibition of FLT1 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 8.22 "IC50" "Inhibition of VEGFR3 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 7.95 "IC50" "Inhibition of FLT2 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.47 "Kd" "Further kinetic evaluation of compounds supplied by Sanofi against AuroraA within a BIAcore3000 instrument" "CHEMBL" "=" "Tchem" "Homo sapiens" "cabozantinib" 4715 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 8.47 "IC50" "Inhibition of AXL (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 1 hr by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "cabozantinib" 4715 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 8.22 "IC50" "Inhibition of VEGFR3 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.337 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.947 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.284 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 10.456 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 7.845 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "cabozantinib" 4715 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 8.886 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/203756lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.92 "IC50" "Inhibition of recombinant PDGFRbeta (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "ponatinib" 4716 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 9.432 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.903 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Breakpoint cluster region protein" "Kinase" "P11274" "BCR" "BCR_HUMAN" "Mechanism of Action; CHEMBL5146; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1171837" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 8.52 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "ponatinib" 4716 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 9.52 "IC50" "Inhibition of FLT3 in human MV4-11 cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "ponatinib" 4716 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.59 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "ponatinib" 4716 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.824 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 8.959 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 8.03 "IC50" "Inhibition of recombinant FGFR3 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "ponatinib" 4716 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 8.268 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ponatinib" 4716 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 9.62 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 8.658 "IC50" "WOMBAT-PK" "=" "INHIBITOR" "Tclin" "Homo sapiens" "ponatinib" 4716 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 8.89 "IC50" "Inhibition of recombinant FGFR2 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "ponatinib" 4716 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 8.17 "IC50" "Inhibition of human RIPK2 expressed in Sf9 cells after 1 hr by ADP-Glo assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ponatinib" 4716 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P00523" "SRC" "SRC_CHICK" 9.05 "IC50" "Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay" "CHEMBL" "=" "Gallus gallus" "ponatinib" 4716 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 7.92 "Kd" "CDK19/cyclin C." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ponatinib" 4716 "Cyclin-dependent kinase 8" "Kinase" "P49336" "CDK8" "CDK8_HUMAN" 8.17 "Kd" "CDK8/cyclin C." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ponatinib" 4716 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 7.92 "IC50" "Inhibition of recombinant RIPK1 in an in vitro ADP-Glo assay (Promega)." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ponatinib" 4716 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 8.15 "IC50" "Inhibition of recombinant FGFR4 (unknown origin) using poly (Glu,Tyr) 4:1 as substrate after 60 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "ponatinib" 4716 "Bcr/Abl fusion protein" "Kinase" "P00519|P11274" "ABL1|BCR" "ABL1_HUMAN|BCR_HUMAN" 9.3 "IC50" "Inhibition of BCR/ABL (unknown origin)" "CHEMBL" "=" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ponatinib" 4716 "Receptor-interacting serine/threonine-protein kinase 3" "Kinase" "Q9Y572" "RIPK3" "RIPK3_HUMAN" 8.8 "Ki" "Inhibition of recombinant RIPK3 in an in vitro ADP-Glo assay (Promega)." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "teduglutide" 4718 "Glucagon-like peptide 2 receptor" "GPCR" "O95838" "GLP2R" "GLP2R_HUMAN" 10.05 "EC50" "Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2104987" "AGONIST" "Tclin" "Homo sapiens" "teduglutide" 4718 "Glucagon-like peptide 2 receptor" "GPCR" "Q9Z0W0" "Glp2r" "GLP2R_RAT" 10.1 "EC50" "Agonist activity at rat GLP2R expressed in HEK293 cells after 5 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Rattus norvegicus" "daunorubicinol" 4719 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "daunorubicinol" 4719 "DNA topoisomerase 2-alpha" "Enzyme" "P11388" "TOP2A" "TOP2A_HUMAN" "WOMBAT-PK" "Tclin" "Homo sapiens" "daunorubicinol" 4719 "Multidrug resistance-associated protein 1" "Transporter" "P33527" "ABCC1" "MRP1_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "daunorubicinol" 4719 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" "WOMBAT-PK" "Tchem" "Homo sapiens" "daunorubicinol" 4719 "Multidrug resistance-associated protein 6" "Transporter" "O95255" "ABCC6" "MRP6_HUMAN" "WOMBAT-PK" "Tbio" "Homo sapiens" "lomitapide" 4721 "Microsomal triglyceride transfer protein large subunit" "Cytosolic other" "P55157" "MTTP" "MTP_HUMAN" 8.097 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL354541" "INHIBITOR" "Tclin" "Homo sapiens" "succinimide" 4723 "Protein cereblon" "Cytosolic other" "Q96SW2" "CRBN" "CRBN_HUMAN" 4.58 "Ki" "Inhibition of MANT-uracil binding to human CRBN (delta 1 to 315) by Cheng-Prusoff equation analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "succinimide" 4723 "Cereblon isoform 4" "Unclassified" "A4TVL0" "A4TVL0_9PROT" 5.37 "Ki" "Inhibition of MANT-uracil binding to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by Cheng-Prusoff equation analysis" "CHEMBL" "=" "Magnetospirillum gryphiswaldense" "tacalcitol" 4727 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" 8.5 "Kd" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "tenidap" 4728 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.573 "IC50" "DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tenidap" 4728 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 7.26 "IC50" "DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "tenidap" 4728 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 6.155 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tenidap" 4728 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "tenidap" 4728 "Arachidonate 5-lipoxygenase" "Enzyme" "P12527" "Alox5" "LOX5_RAT" 5.05 "IC50" "In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1) cells" "CHEMBL" "=" "Rattus norvegicus" "tenidap" 4728 "Prostaglandin G/H synthase 1" "Enzyme" "O97554" "PTGS1" "PGH1_RABIT" 5.59 "IC50" "Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs by HPLC in presence of calcium ionophore A23187" "CHEMBL" "=" "Oryctolagus cuniculus" "tenidap" 4728 "Prostaglandin G/H synthase 2" "Enzyme" "O02768" "PTGS2" "PGH2_RABIT" 5.08 "IC50" "Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 12-hydroxyheptadecatrienoic acid after 24 hrs in by HPLC presence of calcium ionophore A23188 and lipopolysaccharide" "CHEMBL" "=" "Oryctolagus cuniculus" "tenidap" 4728 "Cyclooxygenase" "Enzyme" "P35355|Q63921" "Ptgs2|Ptgs1" "PGH2_RAT|PGH1_RAT" 8 "IC50" "In vitro inhibition of Prostaglandin G/H synthase pathway in rat basophilic leukemia (RBL-1) cells" "CHEMBL" "=" "Rattus norvegicus" "tenidap" 4728 "Inward rectifier potassium channel 4" "Ion channel" "P48050" "KCNJ4" "KCNJ4_HUMAN" 6.4 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "thiocolchicoside" 4731 "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" 5.72 "IC50" "Displacement of [3H]muscimol from GABA-A receptor in Sprague-Dawley rat spinal cord" "CHEMBL" "=" "Rattus norvegicus" "thiocolchicoside" 4731 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 6.699 "IC50" "inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17234181" "NEGATIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "thiocolchicoside" 4731 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18507|P47869|P47870" "GABRG2|GABRA2|GABRB2" "GBRG2_HUMAN|GBRA2_HUMAN|GBRB2_HUMAN" 6.886 "IC50" "inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17234181" "NEGATIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "thiocolchicoside" 4731 "GABA A receptor alpha-1/beta-1/gamma-2" "Ion channel" "P14867|P18505|P18507" "GABRA1|GABRB1|GABRG2" "GBRA1_HUMAN|GBRB1_HUMAN|GBRG2_HUMAN" 6.824 "IC50" "inhibition of GABA-induced Cl- current in human GABAA receptor expressed in Xenopus oocytes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17234181" "NEGATIVE MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "thioctic acid" 4732 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 9 "IC50" "Inhibition of human AchE" "CHEMBL" "=" "Tclin" "Homo sapiens" "thioctic acid" 4732 "SUMO-activating enzyme" "Enzyme" "Q9UBE0|Q9UBT2" "SAE1|UBA2" "SAE1_HUMAN|SAE2_HUMAN" 5.32 "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" "thioctic acid" 4732 "Bifunctional protein GlmU" "Enzyme" "P9WMN3" "glmU" "GLMU_MYCTU" 5.41 "IC50" "Active" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "thiomersal" 4733 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 6.699 "Ki" "DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 5.971 "Ki" "DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.035 "Ki" "DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 5.56 "Ki" "DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thiomersal" 4733 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.071 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 7.538 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 6.135 "Ki" "DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Cytochrome P450 2D6" "Enzyme" "P10635" "CYP2D6" "CP2D6_HUMAN" 5.523 "IC50" "DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.718 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 4" "Enzyme" "P22748" "CA4" "CAH4_HUMAN" 5.25 "Ki" "Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.16 "Ki" "Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 5.14 "Ki" "Inhibition of human recombinant carbonic anhydrase 5A preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 5B, mitochondrial" "Enzyme" "Q9Y2D0" "CA5B" "CAH5B_HUMAN" 5.23 "Ki" "Inhibition of human recombinant carbonic anhydrase 5B preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 4.96 "Ki" "Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Toll-like receptor 9" "Membrane receptor" "Q9NR96" "TLR9" "TLR9_HUMAN" 5.2 "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" "thiomersal" 4733 "Carbonic anhydrase 3" "Enzyme" "P07451" "CA3" "CAH3_HUMAN" 5.2 "Ki" "Inhibition of human recombinant carbonic anhydrase 3 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 5.29 "Ki" "Inhibition of human recombinant carbonic anhydrase 6 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.18 "Ki" "Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 6.111 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "thiomersal" 4733 "Carbonic anhydrase 13" "Enzyme" "Q8N1Q1" "CA13" "CAH13_HUMAN" 5.16 "Ki" "Inhibition of human recombinant carbonic anhydrase 13 preincubated for 15 mins to 72 hrs measured after 15 mins by stopped flow CO2 hydration method" "CHEMBL" "=" "Tclin" "Homo sapiens" "thiomersal" 4733 "Beta-lactamase" "Enzyme" "Q932Y6" "bla(tem-2)" "Q932Y6_PSEAI" 4.77 "IC50" "inactive" "CHEMBL" "=" "Pseudomonas aeruginosa" "bedaquiline" 4741 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 6.43 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "bedaquiline" 4741 "ATP synthase" "Enzyme" "P9WPS1|P9WPU5|P9WPU7|P9WPU9|P9WPV1|P9WPV3|P9WPV5|P9WPV7" "atpE|atpD|atpA|atpG|atpC|atpFH|atpF|atpB" "ATPL_MYCTU|ATPB_MYCTU|ATPA_MYCTU|ATPG_MYCTU|ATPE_MYCTU|ATPFD_MYCTU|ATPF_MYCTU|ATP6_MYCTU" "Mechanism of Action; CHEMBL2364166; PROTEIN COMPLEX" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL376488" "INHIBITOR" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "bedaquiline" 4741 "ATP synthase subunit c" "Enzyme" "Q5TIX5" "atpE" "Q5TIX5_MYCSM" 8.6 "IC50" "CHEMBL" "=" "Mycobacterium smegmatis" "bedaquiline" 4741 "ATP synthase subunit c" "Enzyme" "P00845" "atpE" "ATPL_BACP3" 6.3 "Kd" "Binding affinity to Bacillus PS3 ATP synthase subunit c" "CHEMBL" "=" "Bacillus sp." "crofelemer" 4744 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 5.155 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/202292s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "crofelemer" 4744 "Anoctamin-1" "Ion channel" "Q5XXA6" "ANO1" "ANO1_HUMAN" 5.187 "IC50" "WOMBAT-PK" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/202292s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pomalidomide" 4746 "Cereblon isoform 4" "Unclassified" "A4TVL0" "A4TVL0_9PROT" 6.1 "Ki" "Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay" "CHEMBL" "=" "Magnetospirillum gryphiswaldense" "pomalidomide" 4746 "Cereblon isoform 4" "Unclassified" "A4TVL0" "A4TVL0_9PROT" 6.1 "Ki" "Inhibition of MANT-uracil binding to wild-type Magnetospirillum gryphiswaldense CRBN isoform 4 by FRET assay" "CHEMBL" "=" "Magnetospirillum gryphiswaldense" "pomalidomide" 4746 "Protein cereblon" "Cytosolic other" "Q96SW2" "CRBN" "CRBN_HUMAN" 6.577 "EC50" "competitive titration of thalidomide with human DDB1-human CRBN (50 nM) and Cy5-thalidomide (20 nM)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25043012" "https://pubmed.ncbi.nlm.nih.gov/26131937" "MODULATOR" "Tclin" "Homo sapiens" "ospemifene" 4749 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 6.082 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2105395" "MODULATOR" "Tclin" "Homo sapiens" "levobetaxolol" 4752 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 9.1 "Ki" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1200837" "ANTAGONIST" "Tclin" "Homo sapiens" "levobetaxolol" 4752 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.49 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "dimethyl fumarate" 4757 "Hydroxycarboxylic acid receptor 2" "GPCR" "Q8TDS4" "HCAR2" "HCAR2_HUMAN" 6.74 "Ki" "Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in human HEK293T cells by liquid scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "dimethyl fumarate" 4757 "Kelch-like ECH-associated protein 1" "Cytosolic other" "Q14145" "KEAP1" "KEAP1_HUMAN" "Mechanism of Action; CHEMBL2069156; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2107333" "INHIBITOR" "Tclin" "Homo sapiens" "canagliflozin" 4758 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.658 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2048484" "INHIBITOR" "Tclin" "Homo sapiens" "canagliflozin" 4758 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.72 "IC50" "Inhibition of human SGLT1 expressed in CHO-K1 cells by [14C]AMG uptake assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "canagliflozin" 4758 "Protease" "Enzyme" "Q9YQ12" "protease" "Q9YQ12_9HIV1" 6.2 "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" "ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 5.32 "Ki" "Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethyl hydroxybenzoate" 4773 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 4.42 "EC50" "Agonist activity at human estrogen receptor-alpha by yeast two-hybrid assay in presence of SRC1" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.1 "Ki" "Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethyl hydroxybenzoate" 4773 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 5.73 "EC50" "Agonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 9" "Enzyme" "Q16790" "CA9" "CAH9_HUMAN" 5.09 "Ki" "Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 12" "Enzyme" "O43570" "CA12" "CAH12_HUMAN" 5.07 "Ki" "Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 7" "Enzyme" "P43166" "CA7" "CAH7_HUMAN" 5.06 "Ki" "Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ethyl hydroxybenzoate" 4773 "Carbonic anhydrase 14" "Enzyme" "Q9ULX7" "CA14" "CAH14_HUMAN" 5.11 "Ki" "Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ridaforolimus" 4778 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 9.699 "IC50" "Measured as dose-dependent inhibition of phosphorylation of ribosomal protein S6, a signaling protein downstream of mTOR" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21482695" "https://pubmed.ncbi.nlm.nih.gov/21482695" "INHIBITOR" "Tclin" "Homo sapiens" "gramicidin" 4794 "Sodium/potassium-transporting ATPase subunit alpha-2" "Ion channel" "D2WKD8" "ATP1A2" "AT1A2_PIG" 5.289 "IC50" "DRUGMATRIX: ATPase, Na+/K+ enzyme inhibition (substrate: ATP)" "DRUG MATRIX" "=" "Sus scrofa" "gramicidin" 4794 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 5.736 "Ki" "DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "gramicidin" 4794 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.961 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "gramicidin" 4794 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.477 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "gramicidin" 4794 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.111 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "gramicidin" 4794 "Substance-K receptor" "GPCR" "P21452" "TACR2" "NK2R_HUMAN" 5.818 "Ki" "DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "gramicidin" 4794 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 5.497 "Ki" "DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tclin" "Homo sapiens" "gramicidin" 4794 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 5.724 "Ki" "DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH)" "DRUG MATRIX" "=" "Tchem" "Homo sapiens" "sodium propionate" 4796 "Carbonic anhydrase" "Enzyme" "Q5AJ71" "NCE103" "CAN_CANAL" 4.29 "Ki" "Inhibition of Candida albicans Nce103" "CHEMBL" "=" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "sodium propionate" 4796 "Free fatty acid receptor 3" "GPCR" "B2GV46" "Ffar3" "FFAR3_RAT" 5.3 "EC50" "Agonist activity at rat GPR41 expressed in Saccharomyces cerevisiae MMY22 co-expressing chimeric Gpa1/Galpha0 by induction of FUSl-lacZ and FUS1-HIS3 reporter gene induction based pheromone response pathway coupled assay" "CHEMBL" "=" "Rattus norvegicus" "sodium nitrite" 4797 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 1.2 "Ki" "Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli" "CHEMBL" "=" "Tclin" "Homo sapiens" "sodium nitrite" 4797 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 2.08 "Ki" "Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli" "CHEMBL" "=" "Tclin" "Homo sapiens" "sodium nitrite" 4797 "Carbonic anhydrase 13" "Enzyme" "Q9D6N1" "Ca13" "CAH13_MOUSE" 1.9 "Ki" "Inhibitory activity against mouse carbonic anhydrase XIII expressed in Escherichia coli TOP 10" "CHEMBL" "=" "Mus musculus" "vilanterol" 4799 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.4 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "vilanterol" 4799 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.4 "EC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1084172" "AGONIST" "Tclin" "Homo sapiens" "vilanterol" 4799 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 6.1 "EC50" "WOMBAT-PK" "=" "Tclin" "Homo sapiens" "dabrafenib" 4801 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 6.82 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "dabrafenib" 4801 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 9.155 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2028663" "INHIBITOR" "Tclin" "Homo sapiens" "dabrafenib" 4801 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 7.11 "IC50" "Inhibition of human RIPK2 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "TGF-beta receptor type-1" "Kinase" "P36897" "TGFBR1" "TGFR1_HUMAN" 5.43 "IC50" "Inhibition of Alk5 in TGF-beta-stimulated human HepG2 cells assessed as decrease in Smad2 phosphorylation treated for 45 mins prior to TGF-beta stimulation measured after 60 mins by odyssey blot scanner analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 4.27 "IC50" "Inhibition of human RIPK1 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 4.53 "IC50" "Inhibition of human RIPK5 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "dabrafenib" 4801 "Serine/threonine-protein kinase A-Raf" "Kinase" "P10398" "ARAF" "ARAF_HUMAN" 7.59 "IC50" "CHEMBL" "=" "Homo sapiens" "dabrafenib" 4801 "GTPase KRas" "Enzyme" "P01116" "KRAS" "RASK_HUMAN" 5.23 "IC50" "Inhibition of KRAS G13D mutant in human HCT116 cells assessed as inhibition of ERK phosphorylation by ELISA" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "Receptor-interacting serine/threonine-protein kinase 3" "Kinase" "Q9Y572" "RIPK3" "RIPK3_HUMAN" 8.7 "IC50" "Inhibition of human RIPK3 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 7.11 "IC50" "Inhibition of human RIPK2 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 4.27 "IC50" "Inhibition of human RIPK1 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 4.53 "IC50" "Inhibition of human RIPK5 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dabrafenib" 4801 "Receptor-interacting serine/threonine-protein kinase 3" "Kinase" "Q9Y572" "RIPK3" "RIPK3_HUMAN" 8.7 "IC50" "Inhibition of human RIPK3 using MBP as substrate by [gamma33-ATP] based radiometric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "trametinib" 4802 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.61 "EC50" "Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "trametinib" 4802 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 8.745 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103875" "INHIBITOR" "Tclin" "Homo sapiens" "trametinib" 4802 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 9.036 "IC50" "WOMBAT-PK" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103875" "INHIBITOR" "Tclin" "Homo sapiens" "trametinib" 4802 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.61 "EC50" "Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "palifermin" 4804 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125103s146lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "dolutegravir" 4805 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 6.66 "Ki" "Displacement of (+)-[3H]pentazocine from sigma1 receptor in rat brain membranes after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "dolutegravir" 4805 "Sigma non-opioid intracellular receptor 1" "Membrane other" "Q60492" "SIGMAR1" "SGMR1_CAVPO" 7.15 "Ki" "CHEMBL" "=" "Cavia porcellus" "dolutegravir" 4805 "Vesicular acetylcholine transporter" "Transporter" "Q62666" "Slc18a3" "VACHT_RAT" 5.34 "Ki" "Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "dolutegravir" 4805 "Integrase" "Enzyme" "Q76353" "Q76353_9HIV1" 8.57 "IC50" "Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintillation counting" "CHEMBL" "=" "Human immunodeficiency virus 1" "dolutegravir" 4805 "Sigma intracellular receptor 2" "Unclassified" "Q5U3Y7" "Tmem97" "SGMR2_RAT" 7.5 "Ki" "Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "dolutegravir" 4805 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 8.131 "IC50" "HIV-1 integrase catalyzed strand transfer" "SCIENTIFIC LITERATURE" "=" 1 "CHEMBL" "https://pubmed.ncbi.nlm.nih.gov/27645238" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1229211" "INHIBITOR" "Human immunodeficiency virus 1" "vortioxetine" 4806 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.34 "Ki" "Binding affinity to human beta 1 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "vortioxetine" 4806 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 6.25 "Ki" "Binding affinity to human beta 2 adrenergic receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 6.74 "Ki" "Binding affinity to human 5HT2A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.74 "Ki" "Binding affinity to human 5HT2C receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 6.48 "Ki" "Binding affinity to human 5HT6 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "vortioxetine" 4806 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 6.74 "Ki" "Binding affinity to human histamine H1 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "vortioxetine" 4806 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 6.74 "Ki" "Binding affinity to human histamine H2 receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.66 "Ki" "Binding affinity to human 5HT5A receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "vortioxetine" 4806 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.28 "IC50" "Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "vortioxetine" 4806 "Sodium-dependent dopamine transporter" "Transporter" "P23977" "Slc6a3" "SC6A3_RAT" 6.05 "IC50" "Inhibition of DAT-mediated [3H]DA in rat synaptosomes by scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "vortioxetine" 4806 "5-hydroxytryptamine receptor 3A" "Ion channel" "P35563" "Htr3a" "5HT3A_RAT" 6.64 "Ki" "Binding affinity to rat 5HT3A receptor" "CHEMBL" "=" "Rattus norvegicus" "vortioxetine" 4806 "5-hydroxytryptamine receptor 1D" "GPCR" "P28565" "Htr1d" "5HT1D_RAT" 5.4 "IC50" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "vortioxetine" 4806 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 6.699 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22171087" "Rattus norvegicus" "vortioxetine" 4806 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 8.796 "Ki" "inhibitor" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22171087" "https://pubmed.ncbi.nlm.nih.gov/21486038" "INHIBITOR" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 7.824 "Ki" "agonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22171087" "https://pubmed.ncbi.nlm.nih.gov/21486038" "AGONIST" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.721 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22171087" "https://pubmed.ncbi.nlm.nih.gov/21486038" "ANTAGONIST" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.481 "Ki" "partial agonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22171087" "https://pubmed.ncbi.nlm.nih.gov/21486038" "AGONIST" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 3A" "Ion channel" "P46098" "HTR3A" "5HT3A_HUMAN" 8.432 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22171087" "https://pubmed.ncbi.nlm.nih.gov/21486038" "ANTAGONIST" "Tclin" "Homo sapiens" "vortioxetine" 4806 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.268 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204447s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204447s004lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "riociguat" 4807 "cAMP-specific 3',5'-cyclic phosphodiesterase 7B" "Enzyme" "Q9NP56" "PDE7B" "PDE7B_HUMAN" 5.538 "IC50" "radioligand binding" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/19263460" "Tclin" "Homo sapiens" "riociguat" 4807 "Guanylate cyclase soluble subunit beta-1" "Enzyme" "Q02153" "GUCY1B3" "GCYB1_HUMAN" 7.523 "MEC" "minimal effective concentration to achieve threefold stimulation of cGMP formation in a recombinant sGC-overexpressing cell line" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19263460" "https://pubmed.ncbi.nlm.nih.gov/19263460" "POSITIVE ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "ipidacrine" 4808 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 6.18 "IC50" "In vitro inhibition of acetylcholinesterase isolated from human erythrocytes." "CHEMBL" "=" "Tclin" "Homo sapiens" "ipidacrine" 4808 "Acetylcholinesterase" "Enzyme" "O42275" "ache" "ACES_ELEEL" 6.77 "IC50" "CHEMBL" "=" "Electrophorus electricus" "ipidacrine" 4808 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 7.15 "IC50" "CHEMBL" "=" "Equus caballus" "ipidacrine" 4808 "Butyrylcholinesterase; Protein Bche" "Enzyme" "Q9JKC1" "Bche" "Q9JKC1_RAT" 6.658 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/11256231" "Rattus norvegicus" "ipidacrine" 4808 "Acetylcholinesterase" "Enzyme" "P37136" "Ache" "ACES_RAT" 6.569 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/11256231" "Rattus norvegicus" "macitentan" 4809 "Endothelin-1 receptor" "GPCR" "P25101" "EDNRA" "EDNRA_HUMAN" 9.301 "IC50" "IC50 value as determined in binding assays using membranes of Chinese hamster ovary (CHO) cells containing recombinant ETA" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22862294" "https://pubmed.ncbi.nlm.nih.gov/22862294" "ANTAGONIST" "Tclin" "Homo sapiens" "macitentan" 4809 "Endothelin B receptor" "GPCR" "P24530" "EDNRB" "EDNRB_HUMAN" 6.408 "IC50" "IC50 value as determined in binding assays using membranes of Chinese hamster ovary (CHO) cells containing recombinant ETB" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22862294" "https://pubmed.ncbi.nlm.nih.gov/22862294" "ANTAGONIST" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.96 "Ki" "Binding affinity to human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.07 "IC50" "HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate." "CHEMBL" "=" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.25 "IC50" "Inhibition of ErbB1 relative to control" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.43 "IC50" "Inhibition of RET" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 8.66 "IC50" "HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate." "CHEMBL" "=" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 9.1 "IC50" "Inhibition of BMX" "CHEMBL" "=" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 5.09 "IC50" "HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate." "CHEMBL" "=" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.55 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 8.48 "IC50" "HotSpot kinase assay: IC50s were determined using the in vitro HotSpot kinase assay (purified enzymes, 33P-ATP, an appropriate substrate and 1 μM ATP.). For enzyme inhibition assays, compounds were tested in range of ten concentrations from 10 uM to 0.0005 uM using purified enzymes and the Hotspot kinase assay. Reaction conditions were 1 uM ATP, one hour incubation with inhibitor, and kinase activity detected using 33-ATP phosphorylation of an appropriately selected peptide substrate." "CHEMBL" "=" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Redox-regulatory protein FAM213A" "Unclassified" "Q9BRX8" "FAM213A" "F213A_HUMAN" 6.05 "IC50" "Inhibition of PF-06658607 binding to recombinant C-terminal FLAG-tagged FAM213A (unknown origin) expressed in HEK293T cells after 1 hr by gel-based ABPP assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 7.854 "Ki" "measured in anti-IgM stimulated Ramos human B cell line" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17154430" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 7.495 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 7.721 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 8.201 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 8.387 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 7.538 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.194 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 7.538 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 8.469 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 8.481 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 8.31 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 8.155 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 8.699 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 10 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tchem" "Homo sapiens" "ibrutinib" 4810 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 9.143 "Ki" "measured in anti-IgM stimulated Ramos human B cell line" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17154430" "https://pubmed.ncbi.nlm.nih.gov/17154430" "INHIBITOR" "Tclin" "Homo sapiens" "sofosbuvir" 4811 "NS5B protein" "Enzyme" "Q8JXU8" "NS5B" "Q8JXU8_9HEPC" 7.19 "EC50" "Inhibition of Hepatitis C virus genotype 1b NS5B RNA-dependent-RNA polymerase assessed as reduction in viral replication after 72 hrs by indirect immunofluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1259059" "INHIBITOR" "Hepatitis C virus" "sofosbuvir" 4811 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 6.959 "EC90" "ET-lunet cells; S96T mutant" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20845908" "https://pubmed.ncbi.nlm.nih.gov/20845908" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "simeprevir" 4812 "Cathepsin S" "Enzyme" "P25774" "CTSS" "CATS_HUMAN" 6.1 "IC50" "Inhibition of human cathepsin S in human JY cells assessed as p10 accumulation by fluorescence-based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "simeprevir" 4812 "Hepatitis C virus serine protease, NS3/NS4A" "Enzyme" "A3EZI9|D2K2A8" "NS3|NS4A" "A3EZI9_9HEPC|D2K2A8_9HEPC" 9.3 "Ki" "BindingDB_Patents: Inhibition Assay. The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification 25 363 371. Briefly, the hydrolysis of a depsipeptide substrate, Ac-DED(Edans)EEAbu[COO]ASK(Dabcyl)-NH2 (AnaSpec, San Jose, USA), was measured spectrofluorometrically in the presence of a peptide cofactor, KKGSVVIVGRIVLSGK (Ake Engstrom, Department of Medical Biochemistry and Microbiology, Uppsala University, Sweden). [Landro, 1997 #Biochem 36 9340-9348]. The enzyme (1 nM) was incubated in 50 mM HEPES, pH 7.5, 10 mM DTT, 40% glycerol, 0.1% n-octyl-D-glucoside, with 25 µM NS4A cofactor and inhibitor at 30 C. for 10 min, whereupon the reaction was initiated by addition of 0.5 µM substrate. Inhibitors were dissolved in DMSO, sonicated for 30 sec. and vortexed." "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL501849" "INHIBITOR" "Hepatitis C virus" "simeprevir" 4812 "Nonstructural protein NS3-4A" "Unclassified" "A0A0K1CY61" "A0A0K1CY61_9HEPC" 9.44 "Ki" "CHEMBL" "=" "Hepatitis C virus" "simeprevir" 4812 "Polyprotein" "Polyprotein" "Q6GYR8" "Q6GYR8_9HEPC" 9.44 "Ki" "IUPHAR" "=" "INHIBITOR" "Hepacivirus C" "simeprevir" 4812 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 9.444 "Ki" "inhibition of the full-length HCV NS3/4A protease" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/18678486" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205123s008lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "luliconazole" 4813 "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/CHEMBL2105689" "INHIBITOR" "Candida albicans (strain SC5314 / ATCC MYA-2876)" "olodaterol" 4814 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.33 "Ki" "competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20371707" "Tclin" "Homo sapiens" "olodaterol" 4814 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 5.26 "Ki" "competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20371707" "Tclin" "Homo sapiens" "olodaterol" 4814 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 9.14 "Ki" "competitive binding experiments against [3H]CGP 12177 in the presence of 5'-guanylyl-imidodiphosphate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20371707" "https://pubmed.ncbi.nlm.nih.gov/20371707" "ANTAGONIST" "Tclin" "Homo sapiens" "lixisenatide" 4815 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 8.845 "IC50" "CHO cells transfected with the human GLP-1 receptor binding affinity" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "https://pubmed.ncbi.nlm.nih.gov/18417092" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=7387" "AGONIST" "Tclin" "Homo sapiens" "umeclidinium" 4816 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 10.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "umeclidinium" 4816 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 9.9 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "umeclidinium" 4816 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.796 "Ki" "radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/19317446" "Tclin" "Homo sapiens" "umeclidinium" 4816 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.824 "Ki" "radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/19317446" "Tclin" "Homo sapiens" "umeclidinium" 4816 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 10.222 "Ki" "radioligand binding assays in CHO cells expressing human M1, M2, or M3 receptors in a scintillation proximity assay with 0.5 nM [3H]-N-methyl scopolamine as the ligand" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19317446" "https://pubmed.ncbi.nlm.nih.gov/19317446" "ANTAGONIST" "Tclin" "Homo sapiens" "rifamycin" 4817 "Bile salt export pump" "Transporter" "O95342" "ABCB11" "ABCBB_HUMAN" 5.2 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "rifamycin" 4817 "Solute carrier organic anion transporter family member 1B1" "Transporter" "Q9Y6L6" "SLCO1B1" "SO1B1_HUMAN" 5.7 "Ki" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "rifamycin" 4817 "Solute carrier organic anion transporter family member 1A2" "Transporter" "P46721" "SLCO1A2" "SO1A2_HUMAN" 4.96 "Ki" "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "rifamycin" 4817 "Bile salt export pump" "Transporter" "O70127" "Abcb11" "ABCBB_RAT" 5.51 "IC50" "CHEMBL" "=" "Rattus norvegicus" "rifamycin" 4817 "DNA-directed RNA polymerase subunit beta" "Enzyme" "P0A8V2" "rpoB" "RPOB_ECOLI" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210910s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" "florbetaben F18" 4818 "Amyloid beta A4 protein" "Unclassified" "P05067" "APP" "A4_HUMAN" 8.65 "Ki" "CHEMBL" "=" "Homo sapiens" "tasimelteon" 4820 "Melatonin receptor type 1A" "GPCR" "P48039" "MTNR1A" "MTR1A_HUMAN" 9.45 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22640220" "https://pubmed.ncbi.nlm.nih.gov/22640220" "AGONIST" "Tclin" "Homo sapiens" "tasimelteon" 4820 "Melatonin receptor type 1B" "GPCR" "P49286" "MTNR1B" "MTR1B_HUMAN" 9.8 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22640220" "https://pubmed.ncbi.nlm.nih.gov/22640220" "AGONIST" "Tclin" "Homo sapiens" "seractide" 4821 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" 8.009 "Ki" "125I-ACTH binding in OS3 cells expressing hMC2R wild type" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17877367" "https://pubmed.ncbi.nlm.nih.gov/17877367" "AGONIST" "Tclin" "Homo sapiens" "laninamivir octanoate hydrate" 4822 "Neuraminidase" "Enzyme" "B4URF0" "B4URF0_9INFA" 8.89 "IC50" "Inhibition of Influenza A virus (A/Yamagata/83/2006(H1N1)) neuraminidase after 30 mins by fluorescence analysis" "CHEMBL" "=" "Influenza A virus (A/WSN/1933(H1N1))" "laninamivir octanoate hydrate" 4822 "Neuraminidase" "Enzyme" "Q194T1" "Q194T1_9INFA" 5.51 "IC50" "Inhibition of Influenza A virus (A/RI/5+/1957(H2N2)) recombinant neuraminidase using MUNANA as substrate after 30 mins" "CHEMBL" "=" "Influenza A virus (A/RI/5+/1957(H2N2))" "peramivir" 4823 "Neuraminidase" "Enzyme" "B4URF0" "B4URF0_9INFA" 10.15 "IC50" "Inhibition of oseltamivir-resistant Influenza A virus A/WSN/1933(H1N1) recombinant wild type neuraminidase transfected in HEK293 cells using MUNANA as substrate assessed as release of 4-methylumbelliferone preincubated for 10 mins followed by substrate addition measured after 15 mins by fluorometric assay" "CHEMBL" "=" "Influenza A virus (A/WSN/1933(H1N1))" "peramivir" 4823 "Sialidase" "Enzyme" "P10481" "nanH" "NANH_CLOPF" 4.4 "IC50" "Inhibition of Clostridium perfringenes neuraminidase activity using 4-methylumbelliferyl-1-alpha-D-N-acetylneuramic acid sodium salt hydrate as substrate by fluorescence based assay" "CHEMBL" "=" "Clostridium perfringens" "peramivir" 4823 "Neuraminidase" "Enzyme" "A5Z252" "A5Z252_9INFA" 9.52 "IC50" "Inhibition of Influenza A virus (A/Vietnam/1194/2004 (H5N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry" "CHEMBL" "=" "Influenza A virus (A/Turkey/651242/2006(H5N1))" "peramivir" 4823 "Neuraminidase" "Enzyme" "P03470" "NRAM_I33A0" 9.4 "IC50" "Inhibition of Influenza A virus (A/WSN/1933(H1N1)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry" "CHEMBL" "=" "Influenza A virus (strain A/Wilson-Smith/1933 H1N1)" "peramivir" 4823 "Sialidase 2" "Enzyme" "Q9Y3R4" "NEU2" "NEUR2_HUMAN" 4.25 "Ki" "Inhibition of MBP-fused recombinant human neuraminidase 2 expressed in Escherichia coli using 4MU-NANA as substrate preincubated for 15 mins followed by substrate addition measured every 1 min for 30 mins by fluorescence analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "peramivir" 4823 "Neuraminidase" "Enzyme" "D5F1R0" "D5F1R0_9INFA" 7.03 "IC50" "Inhibition of Influenza A virus (A/Shanghai/01/2014(H7N9)) recombinant neuraminidase R292K mutant expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry" "CHEMBL" "=" "Influenza A virus" "peramivir" 4823 "Neuraminidase" "Enzyme" "P03471" "NRAM_I71A1" 8.7 "IC50" "Inhibition of Influenza A virus (A/Brisbane/10/2007(H3N2)) recombinant neuraminidase expressed in HEK293 cells pre-incubated for 10 mins before 4-MUNANA substrate addition by fluorometry" "CHEMBL" "=" "Influenza A virus" "peramivir" 4823 "Neuraminidase" "Enzyme" "P03468" "NRAM_I34A1" 8.85 "IC50" "inhibitory concentration required to inhibit neuraminidase enzyme from different strains of influenza A virus" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206426lbl.pdf" "INHIBITOR" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "peramivir" 4823 "Neuraminidase" "Enzyme" "P03474" "NRAM_INBLE" 8.3 "IC50" "Inhibitory activity against influenza B neuraminidase" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206426lbl.pdf" "INHIBITOR" "Influenza B virus (strain B/Lee/1940)" "peramivir" 4823 "Neuraminidase" "Enzyme" "Q9IGQ6" "NRAM_I18A0" 9.08 "Ki" "Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneuraminic acid substrate by fluorimetric assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206426lbl.pdf" "INHIBITOR" "Influenza A virus (strain A/Brevig Mission/1/1918 H1N1)" "etilefrine pivalate" 4824 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/4396765" "https://pubmed.ncbi.nlm.nih.gov/4396765" "AGONIST" "Tclin" "Homo sapiens" "metreleptin" 4826 "Leptin receptor" "Membrane receptor" "P48357" "LEPR" "LEPR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125390s004lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125390s004lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" "Enzyme" "Q07343" "PDE4B" "PDE4B_HUMAN" 7.57 "IC50" "Potency against recombinant human PDE4B1 and B2 isoforms in a TR-FRET assay." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" "Enzyme" "P27815" "PDE4A" "PDE4A_HUMAN" 7.85 "IC50" "Potency against recombinant human PDE4A1A isoform in a TR-FRET assay." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4C" "Enzyme" "Q08493" "PDE4C" "PDE4C_HUMAN" 6.93 "IC50" "Potency against recombinant human PDE4C1 isoform in a TR-FRET assay." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "apremilast" 4829 "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" "Enzyme" "Q08499" "PDE4D" "PDE4D_HUMAN" 7.131 "IC50" "PDE4 enzyme isolated from U937 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19256507" "https://pubmed.ncbi.nlm.nih.gov/19256507" "INHIBITOR" "Tclin" "Homo sapiens" "empagliflozin" 4830 "Sodium/glucose cotransporter 4" "Transporter" "Q2M3M2" "SLC5A9" "SC5A9_HUMAN" 4.959 "IC50" "uptake of [14C] alpha-methyl glucopyranoside" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21985634" "Tdark" "Homo sapiens" "empagliflozin" 4830 "Sodium/glucose cotransporter 5" "Transporter" "A0PJK1" "SLC5A10" "SC5AA_HUMAN" 5.959 "IC50" "uptake of [14C] mannose" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21985634" "Tdark" "Homo sapiens" "empagliflozin" 4830 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.081 "IC50" "uptake of [14C] alpha-methyl glucopyranoside" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21985634" "Tclin" "Homo sapiens" "empagliflozin" 4830 "Sodium/myo-inositol cotransporter 2" "Transporter" "Q8WWX8" "SLC5A11" "SC5AB_HUMAN" 5.699 "IC50" "uptake of [14C] myo-inositol" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21985634" "Tchem" "Homo sapiens" "empagliflozin" 4830 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 7.244 "Kd" "[3H]-empagliflozin kinetic binding experiment" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21985634" "https://pubmed.ncbi.nlm.nih.gov/21985634" "INHIBITOR" "Tclin" "Homo sapiens" "naloxegol" 4832 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204760s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204760s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "gemigliptin" 4833 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 4.328 "IC50" "fluorometric assay with Gly-Pro-AMC substrate" "SCIENTIFIC LITERATURE" "=" "http://professional.diabetes.org/Content/Posters/2008/p502-P.pdf" "Tchem" "Homo sapiens" "gemigliptin" 4833 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 7.796 "IC50" "fluorometric assay with Gly-Pro-AMC substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://professional.diabetes.org/Content/Posters/2008/p502-P.pdf" "http://professional.diabetes.org/Content/Posters/2008/p502-P.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "eliglustat" 4834 "Ceramide glucosyltransferase" "Enzyme" "Q16739" "UGCG" "CEGT_HUMAN" 6.827 "IC50" "inhibition of GlcCer synthesis in disrupted wild-type MDCK cell preparations" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22058426" "https://pubmed.ncbi.nlm.nih.gov/22058426" "INHIBITOR" "Tclin" "Homo sapiens" "afamelanotide" 4836 "Adenosine deaminase" "Enzyme" "P00813" "ADA" "ADA_HUMAN" 7.8 "Ki" "Inhibition of human adenosine deaminase (ADA)" "CHEMBL" "=" "Tclin" "Homo sapiens" "afamelanotide" 4836 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 8.8 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "afamelanotide" 4836 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 9 "IC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "afamelanotide" 4836 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 8.9 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "afamelanotide" 4836 "Melanocortin receptor 3" "GPCR" "P33033" "Mc3r" "MC3R_MOUSE" 10.15 "EC50" "Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay" "CHEMBL" "=" "Mus musculus" "afamelanotide" 4836 "Melanocortin receptor 5" "GPCR" "P41149" "Mc5r" "MC5R_MOUSE" 10.15 "EC50" "In vitro activation of mouse recombinant Melanocortin-5 receptor." "CHEMBL" "=" "Mus musculus" "afamelanotide" 4836 "Melanocortin receptor 4" "GPCR" "P56450" "Mc4r" "MC4R_MOUSE" 9.92 "EC50" "Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-transfected with CRE/beta-galactosidase reporter gene assessed as stimulatory response after 6 hrs" "CHEMBL" "=" "Mus musculus" "afamelanotide" 4836 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01727" "Mc1r" "MSHR_MOUSE" 11 "EC50" "Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells assessed as stimulation of cAMP accumulation incubated for 2 hrs by cAMP Alpha-screen assay" "CHEMBL" "=" "Mus musculus" "afamelanotide" 4836 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" 10 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002548/WC500182307.pdf" "AGONIST" "Tclin" "Homo sapiens" "aprotinin" 4839 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" 6.8 "IC50" "IUPHAR" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201619" "INHIBITOR" "Tclin" "Homo sapiens" "aprotinin" 4839 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" "Mechanism of Action; CHEMBL2000; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201619" "INHIBITOR" "Tclin" "Homo sapiens" "ecallantide" 4846 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" 10.602 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125277s071lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125277s071lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "somatropin" 4848 "Growth hormone receptor" "GPCR" "P10912" "GHR" "GHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020280s077lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/020280s077lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "cridanimod" 4853 "Trypsin" "Enzyme" "P00761" "TRYP_PIG" 5.15 "AC50" "Active" "CHEMBL" "=" "Sus scrofa" "cridanimod" 4853 "Stimulator of interferon genes protein" "Unclassified" "Q3TBT3" "Tmem173" "STING_MOUSE" 5.48 "Kd" "Binding affinity to mouse STING by ITC assay" "CHEMBL" "=" "Mus musculus" "conjugated estrogens" 4855 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/21396_prempro_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "conjugated estrogens" 4855 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2003/21396_prempro_lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "estrone sulphate" 4857 "Steryl-sulfatase" "Enzyme" "P08842" "STS" "STS_HUMAN" 4.22 "Ki" "Inhibitory activity against steroid sulfatase (STS) desulfation of 4-MUS" "CHEMBL" "=" "Tchem" "Homo sapiens" "estrone sulphate" 4857 "Solute carrier family 22 member 20" "Transporter" "Q80UJ1" "Slc22a20" "S22AK_MOUSE" 4.24 "Ki" "Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr" "CHEMBL" "=" "Mus musculus" "estrone sulphate" 4857 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/083220s041lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "estrone sulphate" 4857 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/083220s041lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "corticorelin" 4858 "Corticotropin-releasing factor receptor 2" "GPCR" "Q60748" "Crhr2" "CRFR2_MOUSE" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Mus musculus" "corticorelin" 4858 "Corticotropin-releasing factor receptor 2" "GPCR" "P47866" "Crhr2" "CRFR2_RAT" 7.9 "Kd" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "corticorelin" 4858 "Corticotropin-releasing factor receptor 2" "GPCR" "Q13324" "CRHR2" "CRFR2_HUMAN" 7.4 "Kd" "IUPHAR" "=" "AGONIST" "Homo sapiens" "corticorelin" 4858 "Corticotropin-releasing factor receptor 1" "GPCR" "P34998" "CRHR1" "CRFR1_HUMAN" 8.481 "Kd" "COS cells binding human CRF" "SCIENTIFIC LITERATURE" "=" 1 "IUPHAR" "https://pubmed.ncbi.nlm.nih.gov/7692441" "http://www.guidetopharmacology.org/GRAC/ObjectDisplayForward?objectId=212" "AGONIST" "Tclin" "Homo sapiens" "phenibut" 4863 "GABA-B receptor" "GPCR" "O75899|Q9UBS5" "GABBR2|GABBR1" "GABR2_HUMAN|GABR1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/11830761" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "levomilnacipran" 4864 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 5.49 "IC50" "Inhibition of human DAT" "CHEMBL" "=" "Tclin" "Homo sapiens" "levomilnacipran" 4864 "Sodium-dependent serotonin transporter" "Transporter" "P31652" "Slc6a4" "SC6A4_RAT" 8.07 "Ki" "Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane" "CHEMBL" "=" "Rattus norvegicus" "levomilnacipran" 4864 "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" 5.2 "IC50" "Binding affinity for N-methyl-D-aspartate glutamate receptor of cerebral cortical synaptic membranes from rats using [3H]MK-801 as radioligand" "CHEMBL" "=" "Rattus norvegicus" "levomilnacipran" 4864 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.951 "Ki" "radioligand binding in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23499664" "https://pubmed.ncbi.nlm.nih.gov/23499664" "INHIBITOR" "Tclin" "Homo sapiens" "levomilnacipran" 4864 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 7.035 "Ki" "radioligand binding in HEK-293 cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23499664" "https://pubmed.ncbi.nlm.nih.gov/23499664" "INHIBITOR" "Tclin" "Homo sapiens" "mebanazine" 4865 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/5889715" "INHIBITOR" "Tclin" "Homo sapiens" "mebanazine" 4865 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/5889715" "INHIBITOR" "Tclin" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.1 "IC50" "Inhibition of JAK3 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.9 "IC50" "Inhibition of human ERG by dofetilide binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7.05 "EC50" "Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.9 "IC50" "Inhibition of ABL (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 5.89 "IC50" "Inhibition of cKIT (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.05 "IC50" "Inhibition of EGFR (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.77 "IC50" "Inhibition of TEL-fused SRC (unknown origin) by cell-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.25 "IC50" "Inhibition of LCK (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.22 "IC50" "Inhibition of FLT3 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.4 "IC50" "Inhibition of RET (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.38 "IC50" "Inhibition of TEL-fused KDR (unknown origin) by cell-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.94 "IC50" "Inhibition of PDGFRalpha (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 5.4 "IC50" "Inhibition of CDK2 (unknown origin) after 60 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "ceritinib" 4866 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.37 "IC50" "Inhibition of FGFR3 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 5.43 "IC50" "Inhibition of JAK1 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.56 "IC50" "Inhibition of TEL-fused TRKA (unknown origin) by cell-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6.21 "IC50" "Inhibition of JAK2 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 5.9 "IC50" "Inhibition of ROCK2 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.52 "IC50" "Inhibition of SYK (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.87 "IC50" "Inhibition of TEL-fused MET (unknown origin) by cell-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.08 "IC50" "Inhibition of LYN (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.59 "IC50" "Inhibition of FGFR2 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.71 "IC50" "Inhibition of TEL-fused FGR (unknown origin) by cell-based assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ceritinib" 4866 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.65 "IC50" "Inhibition of MKNK2 (unknown origin) after 60 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.01 "IC50" "Inhibition of ZAP70 (unknown origin) after 60 mins" "CHEMBL" "=" "Tchem" "Homo sapiens" "ceritinib" 4866 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 5.47 "IC50" "Inhibition of BTK (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.74 "IC50" "Inhibition of TEL-fused TRKB (unknown origin) by cell-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 6.02 "IC50" "Inhibition of FGFR4 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 6.85 "IC50" "Inhibition of TEL-fused ROS (unknown origin) by cell-based assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 5.33 "IC50" "Inhibition of CDK4 (unknown origin) after 60 mins" "CHEMBL" "=" "Tclin" "Homo sapiens" "ceritinib" 4866 "Transcription factor ETV6" "Transcription factor" "P41212" "ETV6" "ETV6_HUMAN" 5.49 "IC50" "Inhibition of wild-type TEL (unknown origin) by cell-based assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "ceritinib" 4866 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 7.05 "EC50" "Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "ceritinib" 4866 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 8.097 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23742252" "Tclin" "Homo sapiens" "ceritinib" 4866 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 8.155 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23742252" "AGONIST" "Tclin" "Homo sapiens" "ceritinib" 4866 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 7.638 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23742252" "Tchem" "Homo sapiens" "ceritinib" 4866 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 9.699 "IC50" "in vitro enzymatic activity" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23742252" "https://pubmed.ncbi.nlm.nih.gov/23742252" "INHIBITOR" "Tclin" "Homo sapiens" "dexrabeprazole" 4867 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 6.1 "Ki" "DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexrabeprazole" 4867 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.1 "Ki" "DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dexrabeprazole" 4867 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.74 "Ki" "DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA)" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexrabeprazole" 4867 "Fatty acid synthase" "Enzyme" "P49327" "FASN" "FAS_HUMAN" 5.23 "Ki" "Inhibition of purified recombinant FASN TE activity (unknown origin) using 4-MUH as substrate preincubated for 30 mins before substrate addition measured after 1 hr by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexrabeprazole" 4867 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 4.96 "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" "dexrabeprazole" 4867 "N(G),N(G)-dimethylarginine dimethylaminohydrolase 1" "Enzyme" "O94760" "DDAH1" "DDAH1_HUMAN" 4.28 "IC50" "Inhibition of human recombinant DDAH1 reduction in L-citrulline formation using ADMA as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexrabeprazole" 4867 "Cytosolic endo-beta-N-acetylglucosaminidase" "Enzyme" "Q8NFI3" "ENGASE" "ENASE_HUMAN" 5.35 "IC50" "Inhibition of recombinant human C-MYC/DDK-tagged ENGase expressed in HEK293T cells using heat inactivated bovine ribonuclease B as substrate pretreated for 15 mins followed by substrate addition after 90 mins by SDS-PAGE analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexrabeprazole" 4867 "N(G),N(G)-dimethylarginine dimethylaminohydrolase 1" "Enzyme" "O94760" "DDAH1" "DDAH1_HUMAN" 4.28 "IC50" "Inhibition of human recombinant DDAH1 reduction in L-citrulline formation using ADMA as substrate" "CHEMBL" "=" "Tchem" "Homo sapiens" "dexrabeprazole" 4867 "Insulin-degrading enzyme" "Enzyme" "P14735" "IDE" "IDE_HUMAN" 4.96 "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" "dexrabeprazole" 4867 "Sterile alpha and TIR motif-containing protein 1" "Unclassified" "Q6SZW1" "SARM1" "SARM1_HUMAN" 5.5 "IC50" "Inhibition of StrepTag-tagged human SARM1 TIR (561 to 724 residues) expressed in NRK1-HEK293T cells assessed as reduction in NADase activity by measuring maximal ADPR conversion pre-incubated up to 120 mins before NAD+ addition and further incubated for 60 mins by HPLC analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "dexrabeprazole" 4867 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2154989" "https://pubmed.ncbi.nlm.nih.gov/2154989" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "vorapaxar" 4870 "Proteinase-activated receptor 1" "GPCR" "P25116" "F2R" "PAR1_HUMAN" 8.092 "Ki" "antagonist" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18447380" "https://pubmed.ncbi.nlm.nih.gov/18447380" "ANTAGONIST" "Tclin" "Homo sapiens" "tedizolid phosphate" 4873 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 5.24 "IC50" "Reversible inhibition of human MAO-B" "CHEMBL" "=" "Tclin" "Homo sapiens" "tedizolid phosphate" 4873 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 5.06 "IC50" "Reversible inhibition of human MAO-A" "CHEMBL" "=" "Tclin" "Homo sapiens" "efinaconazole" 4874 "Lanosterol 14-alpha demethylase" "Enzyme" "F2SHH3" "F2SHH3_TRIRC" "Mechanism of Action; CHEMBL3307221; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL2103877" "INHIBITOR" "Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)" "daclatasvir" 4875 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.53 "IC50" "Inhibition of human ERG by whole cell patch clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "daclatasvir" 4875 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.64 "IC50" "Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "daclatasvir" 4875 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.64 "IC50" "Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for 72 hrs by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "daclatasvir" 4875 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.046 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20410884" "https://pubmed.ncbi.nlm.nih.gov/20410884" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "daclatasvir" 4875 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.301 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20410884" "https://pubmed.ncbi.nlm.nih.gov/20410884" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "belinostat" 4876 "Histone deacetylase 5" "Enzyme" "Q9UQL6" "HDAC5" "HDAC5_HUMAN" 7.6 "Ki" "Competitive inhibition of HDAC5 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 9.07 "Ki" "Inhibition of human HDAC2" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 9.07 "Ki" "Inhibition of human HDAC1" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 8.82 "Ki" "Inhibition of human HDAC3" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 6" "Enzyme" "Q9UBN7" "HDAC6" "HDAC6_HUMAN" 8.8 "Ki" "Inhibition of human HDAC6" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 7" "Enzyme" "Q8WUI4" "HDAC7" "HDAC7_HUMAN" 7.29 "Ki" "Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 7.66 "Ki" "Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 9" "Enzyme" "Q9UKV0" "HDAC9" "HDAC9_HUMAN" 7.62 "Ki" "Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.23 "Ki" "Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Histone deacetylase" "Enzyme" "Q9XYC7" "HDAC1" "Q9XYC7_PLAFA" 6.67 "IC50" "Inhibition of HDAC1 in Plasmodium falciparum 3D7 nuclear extract using Ac-RGK(Ac)-AMC fluorogenic peptide as substrate preincubated for 1 hr followed by substrate addition measured after 10 min by fluorescence assay" "CHEMBL" "=" "Plasmodium falciparum" "belinostat" 4876 "Histone deacetylase 11" "Enzyme" "Q96DB2" "HDAC11" "HDA11_HUMAN" 7.57 "Ki" "Competitive inhibition of HDAC11 using KI-104 as substrate by fluorescence assay" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL408513" "INHIBITOR" "Tclin" "Homo sapiens" "belinostat" 4876 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 7.57 "IC50" "Inhibition of BRD4 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "belinostat" 4876 "Histone deacetylase 4" "Enzyme" "P56524" "HDAC4" "HDAC4_HUMAN" 7.569 "IC50" "histone deacetylase activity in vitro in HeLa cell extracts" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12939461" "https://pubmed.ncbi.nlm.nih.gov/12939461" "INHIBITOR" "Tclin" "Homo sapiens" "tavaborole" 4877 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 6.33 "Ki" "Inhibition of human carbonic anhydrase-2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tavaborole" 4877 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 5.7 "Ki" "Inhibition of human carbonic anhydrase-1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tavaborole" 4877 "Carbonic anhydrase" "Enzyme" "Q6FTL6" "Q6FTL6_CANGA" 7.14 "Ki" "Inhibition of Candida glabrata Nce103 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 / NRRL Y-65)" "tavaborole" 4877 "Carbonic anhydrase 2" "Enzyme" "Q3I4V7" "CAN2" "Q3I4V7_CRYNV" 7.05 "Ki" "Inhibition of Cryptococcus neoformans Can2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay" "CHEMBL" "=" "Cryptococcus neoformans var. grubii" "tavaborole" 4877 "Leucine--tRNA ligase, cytoplasmic" "Enzyme" "P26637" "CDC60" "SYLC_YEAST" 5.73 "Ki" "Inhibition of Saccharomyces cerevisiae cytoplasmic leucyl-tRNA synthetase after 20 mins" "CHEMBL" "=" "Saccharomyces cerevisiae (strain ATCC 204508 / S288c)" "tavaborole" 4877 "Leucine-tRNA ligase" "Enzyme" "F2SF18" "F2SF18_TRIRC" "Mechanism of Action; CHEMBL3307222; SINGLE PROTEIN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL443052" "INHIBITOR" "Trichophyton rubrum (strain ATCC MYA-4607 / CBS 118892)" "idelalisib" 4878 "DNA-dependent protein kinase catalytic subunit" "Kinase" "P78527" "PRKDC" "PRKDC_HUMAN" 5.17 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "idelalisib" 4878 "Phosphatidylinositol 3-kinase catalytic subunit type 3" "Kinase" "Q8NEB9" "PIK3C3" "PK3C3_HUMAN" 5.36 "IC50" "Inhibition of GST-tagged full length recombinant human VPS34 expressed in Baculovirus expression system using PI:PS as substrate preincubated for 1 hr followed by substrate addition and measured after 1 hr in presence of 50 uM ATP by ADP-Glo luminescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 6.086 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20959606" "Tclin" "Homo sapiens" "idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "P42338" "PIK3CB" "PK3CB_HUMAN" 6.248 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20959606" "Tchem" "Homo sapiens" "idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 7.051 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20959606" "Tclin" "Homo sapiens" "idelalisib" 4878 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 8.602 "IC50" "in vitro Invitrogen SelectScreen kinase inhibitor assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20959606" "https://pubmed.ncbi.nlm.nih.gov/20959606" "INHIBITOR" "Tclin" "Homo sapiens" "enoxaparin sodium" 4879 "Antithrombin-III" "Secreted" "P01008" "SERPINC1" "ANT3_HUMAN" "WOMBAT-PK" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201476" "ACTIVATOR" "Tclin" "Homo sapiens" "suvorexant" 4881 "Orexin receptor type 2" "GPCR" "P58308" "Hcrtr2" "OX2R_MOUSE" 8.06 "Ki" "Antagonist activity at mouse OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay" "CHEMBL" "=" "Mus musculus" "suvorexant" 4881 "Orexin receptor type 1" "GPCR" "P58307" "Hcrtr1" "OX1R_MOUSE" 8.77 "Ki" "Antagonist activity at mouse OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay" "CHEMBL" "=" "Mus musculus" "suvorexant" 4881 "Orexin receptor type 1" "GPCR" "O43613" "HCRTR1" "OX1R_HUMAN" 9.26 "Ki" "radioligand-displacement binding assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20565075" "https://pubmed.ncbi.nlm.nih.gov/20565075" "ANTAGONIST" "Tclin" "Homo sapiens" "suvorexant" 4881 "Orexin receptor type 2" "GPCR" "O43614" "HCRTR2" "OX2R_HUMAN" 9.456 "Ki" "radioligand-displacement binding assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20565075" "https://pubmed.ncbi.nlm.nih.gov/20565075" "ANTAGONIST" "Tclin" "Homo sapiens" "istradefylline" 4882 "Adenosine receptor A1" "GPCR" "P30542" "ADORA1" "AA1R_HUMAN" 6.08 "Ki" "Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "istradefylline" 4882 "Adenosine receptor A2b" "GPCR" "P29275" "ADORA2B" "AA2BR_HUMAN" 5.75 "Ki" "Inhibition of human recombinant adenosine receptor A2b" "CHEMBL" "=" "Tclin" "Homo sapiens" "istradefylline" 4882 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 5.35 "Ki" "Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells" "CHEMBL" "=" "Tchem" "Homo sapiens" "istradefylline" 4882 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.57 "Ki" "Inhibition of human MAOB" "CHEMBL" "=" "Tclin" "Homo sapiens" "istradefylline" 4882 "Adenosine receptor A1" "GPCR" "P25099" "Adora1" "AA1R_RAT" 6.82 "Ki" "Displacement of [3H]CHA from Adenosine A1 receptor of rat forebrain membranes (shielded from light)" "CHEMBL" "=" "Rattus norvegicus" "istradefylline" 4882 "Adenosine receptor A2a" "GPCR" "P30543" "Adora2a" "AA2AR_RAT" 8.7 "Ki" "Displacement of [3H]ZM241385 from rat recombinant adenosine A2A receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "istradefylline" 4882 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 7.57 "Ki" "Inhibition of human MAOB" "CHEMBL" "=" "Tclin" "Homo sapiens" "istradefylline" 4882 "Adenosine receptor A2a" "GPCR" "P29274" "ADORA2A" "AA2AR_HUMAN" 8.66 "Ki" "Binding affinity towards human Adenosine A2a receptor expressed in HEK293 cells using 6 nM [3H]CGS-21680" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/16004599" "ANTAGONIST" "Tclin" "Homo sapiens" "dulaglutide" 4885 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/nda/2014/125469Orig1s000Lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/nda/2014/125469Orig1s000Lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "cetilistat" 4886 "Pancreatic triacylglycerol lipase" "Enzyme" "P16233" "PNLIP" "LIPP_HUMAN" 8.225 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18500680" "https://pubmed.ncbi.nlm.nih.gov/18500680" "INHIBITOR" "Tclin" "Homo sapiens" "topiroxostat" 4888 "Xanthine dehydrogenase/oxidase" "Enzyme" "P80457" "XDH" "XDH_BOVIN" 8.32 "IC50" "Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 15 mins followed by substrate addition by spectrophotometric analysis" "CHEMBL" "=" "Bos taurus" "topiroxostat" 4888 "Xanthine dehydrogenase/oxidase" "Enzyme" "P47989" "XDH" "XDH_HUMAN" 8.276 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19783139" "https://pubmed.ncbi.nlm.nih.gov/19783139" "INHIBITOR" "Tclin" "Homo sapiens" "asunaprevir" 4889 "NS3" "Enzyme" "A3EZI9" "NS3" "A3EZI9_9HEPC" 8.92 "EC50" "Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "asunaprevir" 4889 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 9.398 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22869577" "https://pubmed.ncbi.nlm.nih.gov/22869577" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "ipragliflozin" 4890 "Sodium/glucose cotransporter 2" "Transporter" "P53792" "Slc5a2" "SC5A2_RAT" 8.2 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing rSGLT2." "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "ipragliflozin" 4890 "Sodium/glucose cotransporter 1" "Transporter" "Q8C3K6" "Slc5a1" "SC5A1_MOUSE" 5.86 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing mSGLT1." "IUPHAR" "=" "INHIBITOR" "Mus musculus" "ipragliflozin" 4890 "Sodium/glucose cotransporter 1" "Transporter" "P53790" "Slc5a1" "SC5A1_RAT" 5.93 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing rSGLT1." "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "ipragliflozin" 4890 "Sodium/glucose cotransporter 2" "Transporter" "Q923I7" "Slc5a2" "SC5A2_MOUSE" 8.25 "IC50" "Measuring inhibition of sodium-dependent [14C]AMG-uptake in CHO cells expressing mSGLT2." "IUPHAR" "=" "INHIBITOR" "Mus musculus" "ipragliflozin" 4890 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.727 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22139434" "Tclin" "Homo sapiens" "ipragliflozin" 4890 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.132 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22139434" "https://pubmed.ncbi.nlm.nih.gov/22139434" "INHIBITOR" "Tclin" "Homo sapiens" "luseogliflozin" 4891 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.399 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20302302" "Tclin" "Homo sapiens" "luseogliflozin" 4891 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.646 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20302302" "https://pubmed.ncbi.nlm.nih.gov/20302302" "INHIBITOR" "Tclin" "Homo sapiens" "tofogliflozin" 4892 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.073 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22889351" "Tclin" "Homo sapiens" "tofogliflozin" 4892 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.538 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22889351" "https://pubmed.ncbi.nlm.nih.gov/22889351" "INHIBITOR" "Tclin" "Homo sapiens" "tipiracil" 4893 "Thymidine phosphorylase" "Enzyme" "P07650" "deoA" "TYPH_ECOLI" 7.7 "IC50" "Inhibition of Thymidine phosphorylase from Escherichia coli" "CHEMBL" "=" "Escherichia coli (strain K12)" "tipiracil" 4893 "Thymidine phosphorylase" "Enzyme" "P19971" "TYMP" "TYPH_HUMAN" 7.699 "IC50" "spectrophotometric assay; 5-nitro-2'-deoxyuridine substrate" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/12519058" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207981s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "iguratimod" 4894 "Macrophage migration inhibitory factor" "Unclassified" "P14174" "MIF" "MIF_HUMAN" 5.17 "IC50" "Inhibition of recombinant human MIF tautomerase activity using L-dopachrome methyl ester as substrate measured for 20 secs" "CHEMBL" "=" "Tchem" "Homo sapiens" "teneligliptin" 4895 "Dipeptidyl peptidase 4" "Enzyme" "P14740" "Dpp4" "DPP4_RAT" 9.54 "IC50" "Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay" "CHEMBL" "=" "Rattus norvegicus" "teneligliptin" 4895 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 6.585 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22959556" "Tchem" "Homo sapiens" "teneligliptin" 4895 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 6.268 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22959556" "Tchem" "Homo sapiens" "teneligliptin" 4895 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9.432 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22959556" "https://pubmed.ncbi.nlm.nih.gov/22959556" "INHIBITOR" "Tclin" "Homo sapiens" "anagliptin" 4896 "Prolyl endopeptidase FAP" "Enzyme" "Q12884" "FAP" "SEPR_HUMAN" 4.14 "IC50" "Inhibition of human recombinant FAP expressed in baculovirus-infected Sf9 insect cells using H-Ala-Pro-AFC as substrate after 60 mins by fluorescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "anagliptin" 4896 "Dipeptidyl peptidase 8" "Enzyme" "Q6V1X1" "DPP8" "DPP8_HUMAN" 7.167 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22019046" "Tchem" "Homo sapiens" "anagliptin" 4896 "Dipeptidyl peptidase 9" "Enzyme" "Q86TI2" "DPP9" "DPP9_HUMAN" 7.222 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22019046" "Tchem" "Homo sapiens" "anagliptin" 4896 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 8.42 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22019046" "https://pubmed.ncbi.nlm.nih.gov/22019046" "INHIBITOR" "Tclin" "Homo sapiens" "edoxaban" 4897 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 9.252 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20503967" "https://pubmed.ncbi.nlm.nih.gov/20503967" "INHIBITOR" "Tclin" "Homo sapiens" "netupitant" 4898 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.022 "Ki" "displacement of [3H]-labelled substance P from cloned human receptor expressed in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/16332435" "https://pubmed.ncbi.nlm.nih.gov/16332435" "ANTAGONIST" "Tclin" "Homo sapiens" "ledipasvir" 4899 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.51 "EC50" "Inhibition of NS5A in HCV genotype 1a H77 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "ledipasvir" 4899 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.51 "EC50" "Inhibition of NS5A in HCV genotype 1a H77 infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "ledipasvir" 4899 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.398 "EC50" "replicon antiviral assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24320933" "https://pubmed.ncbi.nlm.nih.gov/24320933" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "ledipasvir" 4899 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.509 "EC50" "replicon antiviral assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24320933" "https://pubmed.ncbi.nlm.nih.gov/24320933" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "diquafosol" 4900 "P2Y purinoceptor 4" "GPCR" "P51582" "P2RY4" "P2RY4_HUMAN" 6.4 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "diquafosol" 4900 "P2Y purinoceptor 2" "GPCR" "P41231" "P2RY2" "P2RY2_HUMAN" 7.469 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18232657" "https://pubmed.ncbi.nlm.nih.gov/18232657" "AGONIST" "Tclin" "Homo sapiens" "insulin glargine" 4901 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021081s062lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021081s062lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "imidafenacin" 4902 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 8.384 "Kb" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/10428387" "Tclin" "Homo sapiens" "imidafenacin" 4902 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.499 "Kb" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10428387" "https://pubmed.ncbi.nlm.nih.gov/10428387" "ANTAGONIST" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 8.09 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 8.59 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.56 "EC50" "Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.82 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 8 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.57 "Kd" "Binding constant for KIT(L576P) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.24 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 8.21 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 7.1 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 6.2 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 5.54 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 9.38 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.02 "Kd" "Binding constant for RET(V804M) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.32 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 7.19 "Kd" "Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 6.59 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 5.85 "Kd" "Binding constant for CDK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 7.21 "Kd" "Binding constant for IGF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.54 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 7.62 "Kd" "Binding constant for INSR kinase domain" "CHEMBL" "=" "AGONIST" "Tclin" "Homo sapiens" "nintedanib" 4903 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.68 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.23 "Kd" "Binding constant for CAMK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 6.2 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 7.03 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.68 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.28 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.32 "Kd" "Binding constant for JAK1(JH2domain-pseudokinase) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 6.57 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 5.49 "Kd" "Binding constant for DAPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 8.35 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.85 "Kd" "Binding constant for JAK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.4 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.85 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.2 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 5.85 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.7 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.03 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 7.24 "Kd" "Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 7.06 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 6.85 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 5.44 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 6.17 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.06 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 7.14 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 7.28 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.72 "Kd" "Binding constant for AURKC kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 7.74 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 7.66 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 5.7 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.46 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 6.13 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 5.26 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 6.96 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 6.03 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 7.28 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.64 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.52 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 7.51 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.07 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 8.66 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.57 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 8.06 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 6.12 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 6.41 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 7.08 "Kd" "Binding constant for GSK3B kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 6.26 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.66 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 7.68 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 8.05 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 5.8 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 6.7 "Kd" "Binding constant for RPS6KA5(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.29 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 7.74 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 6.04 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 6.11 "Kd" "Binding constant for MARK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 6.2 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 6.59 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 7.92 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.96 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.21 "Kd" "Binding constant for TSSK1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Activin receptor type-1B" "Kinase" "P36896" "ACVR1B" "ACV1B_HUMAN" 5.31 "Kd" "Binding constant for ACVR1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase receptor R3" "Kinase" "P37023" "ACVRL1" "ACVL1_HUMAN" 5.38 "Kd" "Binding constant for ACVRL1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Activin receptor type-1" "Kinase" "Q04771" "ACVR1" "ACVR1_HUMAN" 6.22 "Kd" "Binding constant for ACVR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 5.55 "Kd" "Binding constant for PDPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 8 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.38 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 6.68 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.46 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Glycogen synthase kinase-3 alpha" "Kinase" "P49840" "GSK3A" "GSK3A_HUMAN" 6.37 "Kd" "Binding constant for GSK3A kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 6.51 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 7.92 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 7.72 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 5.31 "Kd" "Binding constant for TYRO3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.52 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 6 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 6.72 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 5.85 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 6.11 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.42 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 6.64 "Kd" "Binding constant for RSK4(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 7.68 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.68 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 7.43 "Kd" "Binding constant for TYK2(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 6.54 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 6.68 "Kd" "Binding constant for PAK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase 17" "Kinase" "Q00537" "CDK17" "CDK17_HUMAN" 7.03 "Kd" "Binding constant for PCTK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase 18" "Kinase" "Q07002" "CDK18" "CDK18_HUMAN" 6.29 "Kd" "Binding constant for PCTK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 6.33 "Kd" "Binding constant for PFTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 7.31 "Kd" "Binding constant for PIP5K1A kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 7.77 "Kd" "Binding constant for PIP5K2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Myosin light chain kinase family member 4" "Kinase" "Q86YV6" "MYLK4" "MYLK4_HUMAN" 6.36 "Kd" "Binding constant for MYLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.54 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 7.09 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 7.64 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Casein kinase I isoform delta" "Kinase" "P48730" "CSNK1D" "KC1D_HUMAN" 5.89 "Kd" "Binding constant for CSNK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.66 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 7.49 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 6.07 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 5.12 "Kd" "Binding constant for CSNK2A1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 6.05 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.8 "Kd" "Binding constant for DYRK1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.77 "Kd" "Binding constant for IKK-epsilon kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 7.74 "Kd" "Binding constant for LKB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.68 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 8.31 "Kd" "Binding constant for MELK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 7.31 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 5.7 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 7.68 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 5.28 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 7.44 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.55 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 7.43 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 7.44 "Kd" "Binding constant for SRPK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 5.96 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "5'-AMP-activated protein kinase catalytic subunit alpha-2" "Kinase" "P54646" "PRKAA2" "AAPK2_HUMAN" 7.08 "Kd" "Binding constant for AMPK-alpha2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 7.38 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 6.38 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 6.42 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 6.82 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.46 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase PAK 7" "Kinase" "Q9P286" "PAK5" "PAK5_HUMAN" 5.89 "Kd" "Binding constant for PAK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 6.8 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.54 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.38 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.42 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 7.25 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.82 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase MARK1" "Kinase" "Q9P0L2" "MARK1" "MARK1_HUMAN" 5.85 "Kd" "Binding constant for MARK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "MAP/microtubule affinity-regulating kinase 4" "Kinase" "Q96L34" "MARK4" "MARK4_HUMAN" 5.7 "Kd" "Binding constant for MARK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5.43 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 8.07 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium/calmodulin-dependent protein kinase type IV" "Kinase" "Q16566" "CAMK4" "KCC4_HUMAN" 5.43 "Kd" "Binding constant for CAMK4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 6.66 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 5.64 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 6.15 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 6.96 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.23 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 6.27 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Myosin-IIIb" "Kinase" "Q8WXR4" "MYO3B" "MYO3B_HUMAN" 5.57 "Kd" "Binding constant for MYO3B kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 5.48 "Kd" "Binding constant for PAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.52 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 6.17 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "TGF-beta receptor type-1" "Kinase" "P36897" "TGFBR1" "TGFR1_HUMAN" 5.38 "Kd" "Binding constant for TGFBR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 5.92 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 5.6 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 6.14 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 6.19 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 6.62 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 5.92 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 5.74 "Kd" "Binding constant for FGFR4 kinase domain" "CHEMBL" "=" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL502835" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.43 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.74 "Kd" "Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 6.21 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 6.54 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 7.09 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 6.82 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 6.09 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 6.8 "Kd" "Binding constant for CDK4-cyclinD1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "nintedanib" 4903 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 5.89 "Kd" "Binding constant for CDKL2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.85 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 5.7 "Kd" "Binding constant for ERN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 6 "Kd" "Binding constant for GRK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 7.77 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 5.92 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 6.1 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 6.07 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 5.92 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 5.77 "Kd" "Binding constant for ICK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Inhibitor of nuclear factor kappa-B kinase subunit alpha" "Kinase" "O15111" "CHUK" "IKKA_HUMAN" 5.35 "Kd" "Binding constant for IKK-alpha kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.92 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.85 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 8.03 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 7.47 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 5.34 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase OSR1" "Kinase" "O95747" "OXSR1" "OXSR1_HUMAN" 5.89 "Kd" "Binding constant for OSR1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 7.92 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 6.28 "Kd" "Binding constant for STK39 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 8.39 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 6.47 "Kd" "Binding constant for ULK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 6.42 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 7.22 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 8.28 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 5.89 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 15" "Kinase" "Q6ZN16" "MAP3K15" "M3K15_HUMAN" 5.85 "Kd" "Binding constant for MAP3K15 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 6.36 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Uncharacterized serine/threonine-protein kinase SBK3" "Kinase" "P0C264" "SBK3" "SBK3_HUMAN" 5.7 "Kd" "Binding constant for SgK110 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 6.09 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 6.96 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 8.08 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 6.85 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 6 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "nintedanib" 4903 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 8.74 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 6.96 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 7.43 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 5.92 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "Plasmodium falciparum" "nintedanib" 4903 "Vascular endothelial growth factor receptor 2" "Kinase" "P35918" "Kdr" "VGFR2_MOUSE" 7.89 "IC50" "Inhibition of mouse GST-fused VEGFR2 expressed in Sf9 insect cells after 20 mins by scintillation counting" "CHEMBL" "=" "Mus musculus" "nintedanib" 4903 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 8.44 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "nintedanib" 4903 "cGMP-dependent protein kinase 1" "Kinase" "Q13976" "PRKG1" "KGP1_HUMAN" 7.85 "Kd" "Binding constant for PRKG1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Multidrug resistance protein 1" "Transporter" "P08183" "ABCB1" "MDR1_HUMAN" 6.56 "EC50" "Inhibition of ABCB1 in human A2780/ADR cells assessed as potentiation of daunorubicin-induced cytotoxicity measured after 72 hrs by MTT assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "nintedanib" 4903 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 6.983 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19522465" "https://pubmed.ncbi.nlm.nih.gov/19522465" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19522465" "https://pubmed.ncbi.nlm.nih.gov/19522465" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 8.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19522465" "https://pubmed.ncbi.nlm.nih.gov/19522465" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.745 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19522465" "https://pubmed.ncbi.nlm.nih.gov/19522465" "INHIBITOR" "Tclin" "Homo sapiens" "nintedanib" 4903 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 7.42 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19522465" "https://pubmed.ncbi.nlm.nih.gov/19522465" "INHIBITOR" "Tclin" "Homo sapiens" "adalimumab" 4904 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125057s367lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125057s367lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "pegaptanib" 4905 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/021756s018lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/021756s018lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "fimasartan" 4906 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.377 "IC50" "antagonism of angiotensin II induced contraction" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22264484" "https://pubmed.ncbi.nlm.nih.gov/22264484" "ANTAGONIST" "Tclin" "Homo sapiens" "olaparib" 4907 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 8.28 "IC50" "Enzyme Assay: In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compound AZD2281 were tested." "CHEMBL" "=" "Tchem" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 4" "Enzyme" "Q9UKK3" "PARP4" "PARP4_HUMAN" 6.39 "IC50" "Inhibition of recombinant human His6-tagged PARP4 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 10" "Enzyme" "Q53GL7" "PARP10" "PAR10_HUMAN" 5.9 "IC50" "Inhibition of recombinant human His6-tagged PARP10 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 12" "Enzyme" "Q9H0J9" "PARP12" "PAR12_HUMAN" 5 "IC50" "Inhibition of recombinant human His6-tagged PARP12 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 15" "Enzyme" "Q460N3" "PARP15" "PAR15_HUMAN" 4.75 "IC50" "Inhibition of recombinant human His6-tagged PARP15 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 6" "Unclassified" "Q2NL67" "PARP6" "PARP6_HUMAN" 5.75 "IC50" "Inhibition of full length human PARP6 expressed in a Baculovirus infected Sf9 insect cells using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay" "CHEMBL" "=" "Homo sapiens" "olaparib" 4907 "Mono [ADP-ribose] polymerase PARP16" "Unclassified" "Q8N5Y8" "PARP16" "PAR16_HUMAN" 5.29 "IC50" "Inhibition of full length recombinant human His6-tagged PARP16 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Tbio" "Homo sapiens" "olaparib" 4907 "Tankyrase-1" "Enzyme" "O95271" "TNKS" "TNKS1_HUMAN" 5.824 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/18800822" "Tchem" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18800822" "https://pubmed.ncbi.nlm.nih.gov/18800822" "INHIBITOR" "Tclin" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18800822" "https://pubmed.ncbi.nlm.nih.gov/18800822" "INHIBITOR" "Tclin" "Homo sapiens" "olaparib" 4907 "Poly [ADP-ribose] polymerase 3" "Enzyme" "Q9Y6F1" "PARP3" "PARP3_HUMAN" 7.34 "IC50" "Inhibition of PARP3 (unknown origin) using activated DNA as substrate after 1 hr by streptavidin-horseradish peroxidase-based luminescence assay" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206162lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/206162lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "acotiamide" 4908 "Acetylcholinesterase" "Enzyme" "P22303" "ACHE" "ACES_HUMAN" 5.523 "IC50" "recombinant human AChE" "DRUG LABEL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21651906" "INHIBITOR" "Tclin" "Homo sapiens" "alemtuzumab" 4909 "CAMPATH-1 antigen" "Surface antigen" "P31358" "CD52" "CD52_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103948s5139lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103948s5139lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "felypressin" 4910 "Vasopressin V1a receptor" "GPCR" "P37288" "AVPR1A" "V1AR_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/5224878" "https://pubmed.ncbi.nlm.nih.gov/18655903" "AGONIST" "Tclin" "Homo sapiens" "ombitasvir" 4912 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.85 "EC50" "Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "ombitasvir" 4912 "Genome polyprotein [Cleaved into: Core protein p21" "Unclassified" "Q9WMX2" "" "POLG_HCVCO" 10.92 "EC50" "Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus genotype 1b" "ombitasvir" 4912 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.301 "EC50" "in vitro replicon assay" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24400777" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206619s003lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "ombitasvir" 4912 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.854 "EC50" "in vitro replicon assay" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24400777" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206619s003lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "dasabuvir" 4914 "NS5B protein" "Enzyme" "Q8JXU8" "NS5B" "Q8JXU8_9HEPC" 8.74 "EC50" "Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase" "CHEMBL" "=" "Hepatitis C virus" "dasabuvir" 4914 "NS5B protein" "Unclassified" "Q8JXU8" "NS5B" "Q8JXU8_9HEPC" 8.74 "EC50" "Inhibition of HCV genotype 1b NS5B RNA dependent RNA polymerase" "CHEMBL" "=" "Hepatitis C virus" "blinatumomab" 4915 "B-lymphocyte antigen CD19" "Surface antigen" "P15391" "CD19" "CD19_HUMAN" 9 "Kd" "Binding of the single-chain Fv portion of blinatumomab to CD19." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125557lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "blinatumomab" 4915 "T-cell surface glycoprotein CD3" "Surface antigen" "P07766|P09693|P04234" "CD3E|CD3G|CD3D" "CD3E_HUMAN|CD3G_HUMAN|CD3D_HUMAN" 7 "Kd" "Binding of the single-chain Fv portion of blinatumomab to CD3." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125557lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "aflibercept" 4916 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" 12.301 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "aflibercept" 4916 "Placenta growth factor" "Secreted" "P49763" "PGF" "PLGF_HUMAN" 10.409 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "aflibercept" 4916 "Vascular endothelial growth factor B" "Secreted" "P49765" "VEGFB" "VEGFB_HUMAN" 11.717 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125418s020lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ramucirumab" 4917 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 10.3 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125477s007lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "safinamide" 4921 "Sodium channel protein type 9 subunit alpha" "Ion channel" "Q15858" "SCN9A" "SCN9A_HUMAN" 4.48 "IC50" "Inhibition of tetrodotoxin-sensitive Na+ channel at -50 mV membrane holding potential by patch-clamp electrophysiology" "CHEMBL" "=" "Tclin" "Homo sapiens" "safinamide" 4921 "Amine oxidase [flavin-containing] A" "Enzyme" "P21397" "MAOA" "AOFA_HUMAN" 4.35 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "safinamide" 4921 "Sigma non-opioid intracellular receptor 1" "Membrane receptor" "Q9R0C9" "Sigmar1" "SGMR1_RAT" 7.71 "IC50" "Inhibition of [3H]pentazocine binding to Opioid receptor sigma 1" "CHEMBL" "=" "Rattus norvegicus" "safinamide" 4921 "Amine oxidase [flavin-containing] B" "Enzyme" "P19643" "Maob" "AOFB_RAT" 7.59 "IC50" "Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis" "CHEMBL" "=" "Rattus norvegicus" "safinamide" 4921 "Sodium channel alpha subunits; brain (Types I, II, III)" "Ion channel" "P04774|P04775|P08104" "Scn1a|Scn2a|Scn3a" "SCN1A_RAT|SCN2A_RAT|SCN3A_RAT" 5.09 "IC50" "Binding of [3H]batrachotoxin (BTX) to rat brain sodium channel" "CHEMBL" "=" "Rattus norvegicus" "safinamide" 4921 "Amine oxidase [flavin-containing] B" "Enzyme" "P27338" "MAOB" "AOFB_HUMAN" 6.347 "Ki" "human recombinant MAO B" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17915852" "https://pubmed.ncbi.nlm.nih.gov/17030736" "INHIBITOR" "Tclin" "Homo sapiens" "nivolumab" 4923 "Programmed cell death protein 1" "Membrane receptor" "Q15116" "PDCD1" "PDCD1_HUMAN" 9.14 "Kd" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24872026" "https://pubmed.ncbi.nlm.nih.gov/24872026" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "pembrolizumab" 4924 "Programmed cell death protein 1" "Membrane receptor" "Q15116" "PDCD1" "PDCD1_HUMAN" 10 "Kd" "IUPHAR" "~" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125514lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "becaplermin" 4925 "Platelet-derived growth factor receptor" "Kinase" "P09619|P16234" "PDGFRB|PDGFRA" "PGFRB_HUMAN|PGFRA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/103691s5095lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/103691s5095lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "albiglutide" 4927 "Glucagon-like peptide 1 receptor" "GPCR" "P32301" "Glp1r" "GLP1R_RAT" 7.7 "EC50" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "albiglutide" 4927 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 9.699 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/15331566" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125431s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "follitropin" 4928 "Follicle-stimulating hormone receptor" "GPCR" "P23945" "FSHR" "FSHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021289s019lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "lutropin alfa" 4929 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" 10.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21322lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21322lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "thyrotropin alfa" 4930 "Thyrotropin receptor" "GPCR" "P16473" "TSHR" "TSHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21322lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2004/21322lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "corticotropin" 4931 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 6.16 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "corticotropin" 4931 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 7.06 "Ki" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "corticotropin" 4931 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" 8.6 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "corticotropin" 4931 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3633" "AGONIST" "Tclin" "Homo sapiens" "corticotropin" 4931 "Adrenocorticotropic hormone receptor" "GPCR" "Q64326" "Mc2r" "ACTHR_MOUSE" 9.8 "Kd" "IUPHAR" "=" "AGONIST" "Mus musculus" "tocilizumab" 4933 "Interleukin-6 receptor" "Membrane receptor" "P08887|P40189" "IL6R|IL6ST" "IL6RA_HUMAN|IL6RB_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125276s092lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125276s092lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "secukinumab" 4934 "Interleukin-17A" "Cytokine" "Q16552" "IL17A" "IL17_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23253932" "https://pubmed.ncbi.nlm.nih.gov/23253932" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "palivizumab" 4935 "Fusion glycoprotein F0" "Surface antigen" "P03420" "F" "FUS_HRSVA" 5.357 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103770s5185lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103770s5185lbl.pdf" "ANTIBODY BINDING" "Human respiratory syncytial virus A (strain A2)" "parathyroid hormone" 4936 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "Q03431" "PTH1R" "PTH1R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125511s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125511s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "alectinib" 4937 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.85 "IC50" "Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "alectinib" 4937 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 6.71 "IC50" "Inhibition of SRPK1 (unknown origin) by TR-FRET assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "alectinib" 4937 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.7 "Ki" "Inhibition of ROS1 L2026M mutant (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "alectinib" 4937 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 6.71 "IC50" "Inhibition of SRPK1 (unknown origin) by TR-FRET assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "alectinib" 4937 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 8.721 "IC50" "TR-FRET in vitro assay ATP concentration 30uM" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/21575866" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208434s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "alectinib" 4937 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.319 "IC50" "time-resolved fluorescence resonance energy transfer assay to examine each compound’s ability to phosphorylate substrate peptide Biotin-EGPWLEEEEEAYGWMDF in the presence of the drug and 30 umol/L ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25349307" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208434s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ripasudil" 4938 "cAMP-dependent protein kinase catalytic subunit alpha" "Kinase" "P17612" "PRKACA" "KAPCA_HUMAN" 5.68 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "ripasudil" 4938 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 7.292 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25414122" "https://pubmed.ncbi.nlm.nih.gov/25414122" "INHIBITOR" "Tclin" "Homo sapiens" "ripasudil" 4938 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 7.721 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25414122" "https://pubmed.ncbi.nlm.nih.gov/25414122" "INHIBITOR" "Tclin" "Homo sapiens" "vaniprevir" 4939 "Cathepsin S" "Enzyme" "P25774" "CTSS" "CATS_HUMAN" 4.11 "IC50" "Inhibition of human cathepsin S" "CHEMBL" "=" "Tchem" "Homo sapiens" "vaniprevir" 4939 "Nonstructural protein NS3-4A" "Unclassified" "A0A0K1CY61" "A0A0K1CY61_9HEPC" 10.3 "Ki" "CHEMBL" "=" "Hepatitis C virus" "vaniprevir" 4939 "Genome polyprotein" "Unclassified" "K7XJL6" "" "K7XJL6_9HEPC" 7.66 "Ki" "Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence analysis" "CHEMBL" "=" "Hepacivirus C" "vaniprevir" 4939 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 10.301 "Ki" "in vitro NS3 mediated hydrolysis of the peptide substrate using time-resolved fluorescence assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20163176" "https://pubmed.ncbi.nlm.nih.gov/20163176" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "vaniprevir" 4939 "Genome polyprotein" "Polyprotein" "Q99IB8" "POLG_HCVJF" 9.046 "Ki" "in vitro NS3 mediated hydrolysis of the peptide substrate using time-resolved fluorescence assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20163176" "https://pubmed.ncbi.nlm.nih.gov/20163176" "INHIBITOR" "Hepatitis C virus genotype 2a (isolate JFH-1)" "basiliximab" 4940 "Interleukin-2 receptor subunit alpha" "Membrane receptor" "P01589" "IL2RA" "IL2RA_HUMAN" 10 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2001/basnova032301LB.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2001/basnova032301LB.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "palbociclib" 4941 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 7.2 "IC50" "Inhibition of JAK3 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "palbociclib" 4941 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.46 "IC50" "Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "palbociclib" 4941 "Cyclin-dependent kinase 9" "Kinase" "P50750" "CDK9" "CDK9_HUMAN" 6.1 "IC50" "Inhibition of CDK9 (unknown origin)" "CHEMBL" "=" "Homo sapiens" "palbociclib" 4941 "Cyclin-dependent kinase 4/cyclin D1" "Kinase" "P11802|P24385" "CDK4|CCND1" "CDK4_HUMAN|CCND1_HUMAN" 8.7 "IC50" "Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "palbociclib" 4941 "CDK2/Cyclin A" "Kinase" "P20248|P24941" "CCNA2|CDK2" "CCNA2_HUMAN|CDK2_HUMAN" 6.64 "IC50" "Inhibition of CDK2/cyclinA (unknown origin)" "CHEMBL" "=" "Tchem|Tchem|Tchem|Tchem" "Homo sapiens" "palbociclib" 4941 "CDK6/cyclin D1" "Kinase" "P24385|Q00534" "CCND1|CDK6" "CCND1_HUMAN|CDK6_HUMAN" 8.42 "IC50" "Inhibition of CDK6/cyclinD1 (unknown origin)" "CHEMBL" "=" "Tchem|Tclin|Tchem|Tclin" "Homo sapiens" "palbociclib" 4941 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 5.097 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15542782" "INHIBITOR" "Tchem" "Homo sapiens" "palbociclib" 4941 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 5.699 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/15542782" "INHIBITOR" "Tchem" "Homo sapiens" "palbociclib" 4941 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 7.824 "IC50" "Cdk6/cyclin D2" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/15542782" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207103s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "palbociclib" 4941 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 7.959 "IC50" "Cdk4/cyclin D1" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/15542782" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207103s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.88 "Ki" "Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Carbonic anhydrase 5A, mitochondrial" "Enzyme" "P35218" "CA5A" "CAH5A_HUMAN" 6.88 "Ki" "Inhibition of recombinant human carbonic anhydrase VA preincubated with enzyme for 15 mins by phenol red dye based stopped flow CO2 hydration assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.409 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17943726" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.187 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17943726" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.82 "Ki" "Inhibition of RET (unknown origin)" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.658 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.398 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 8.284 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 7.292 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lenvatinib" 4942 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 7.337 "IC50" "in vitro kinase activity at 1uM ATP" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17943726" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206947s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "arformoterol" 4943 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 7.6 "EC50" "Agonist activity at human beta3 adrenoceptor transfected in CHO cells assessed as cyclic AMP accumulation after 45 mins by fluorescence polarization assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "arformoterol" 4943 "Beta-2 adrenergic receptor" "GPCR" "Q8K4Z4" "Adrb2" "ADRB2_CAVPO" 9.9 "EC50" "Agonist activity at guinea pig trachea beta2-adrenergic receptor assessed as relaxation of histamine-induced tracheal ring contraction" "CHEMBL" "=" "Cavia porcellus" "arformoterol" 4943 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 6.947 "Kd" "displacement of [125I]-iodopindololreceptor in Sf9 cells expressing human recombinant beta2" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/12090787" "AGONIST" "Tclin" "Homo sapiens" "arformoterol" 4943 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 8.538 "Kd" "displacement of [125I]-iodopindololreceptor in Sf9 cells expressing human recombinant beta2" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/12090787" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021912s013lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "pancreozymin" 4945 "Cholecystokinin receptor type A" "GPCR" "P32238" "CCKAR" "CCKAR_HUMAN" 10 "EC50" "Compound was evaluated for the [Ca2+] mobilization innstably transfected CHO-K1 cell lines expressing human Cholecystokinin type A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "pancreozymin" 4945 "Gastrin/cholecystokinin type B receptor" "GPCR" "P32239" "CCKBR" "GASR_HUMAN" 8.8 "IC50" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "pancreozymin" 4945 "Cholecystokinin receptor type A" "GPCR" "P30551" "Cckar" "CCKAR_RAT" 9.3 "Kd" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "pancreozymin" 4945 "Gastrin/cholecystokinin type B receptor" "GPCR" "P30553" "Cckbr" "GASR_RAT" 9.39 "Ki" "Binding affinity for Cholecystokinin type B receptor using [125I]-BH-CCK-8 in rat cortex synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "pancreozymin" 4945 "Gastrin/cholecystokinin type B receptor" "GPCR" "P56481" "Cckbr" "GASR_MOUSE" 9.52 "IC50" "Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex" "CHEMBL" "=" "Mus musculus" "pancreozymin" 4945 "Cholecystokinin receptor type A" "GPCR" "Q63931" "CCKAR" "CCKAR_CAVPO" 9.55 "Ki" "Inhibition of [3H]pCCK-8 binding to Cholecystokinin type A receptor of Guinea pig pancreatic membranes" "CHEMBL" "=" "Cavia porcellus" "avibactam" 4946 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 6.23 "IC50" "Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by bocillin-FL addition by RT-fluorescence anisotropy method" "CHEMBL" "=" "Escherichia coli (strain K12)" "avibactam" 4946 "Penicillin-binding protein 2" "Enzyme" "P0AD65" "mrdA" "PBP2_ECOLI" 6.23 "IC50" "Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by bocillin-FL addition by RT-fluorescence anisotropy method" "CHEMBL" "=" "Escherichia coli (strain K12)" "avibactam" 4946 "Beta-lactamase" "Enzyme" "P05364" "ampC" "AMPC_ENTCL" 8.155 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23913691" "https://pubmed.ncbi.nlm.nih.gov/23913691" "INHIBITOR" "Enterobacter cloacae" "avibactam" 4946 "Beta-lactamase" "Enzyme" "P24735" "ampC" "AMPC_PSEAE" 6.18 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23913691" "https://pubmed.ncbi.nlm.nih.gov/23913691" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "avibactam" 4946 "Beta-lactamase" "Enzyme" "Q9EXV5" "blaUOE-1" "Q9EXV5_ECOLX" 8.699 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23913691" "https://pubmed.ncbi.nlm.nih.gov/23913691" "INHIBITOR" "Escherichia coli" "belimumab" 4949 "Tumor necrosis factor ligand superfamily member 13B" "Cytokine" "Q9Y275" "TNFSF13B" "TN13B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125370s053lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125370s053lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "abciximab" 4950 "Integrin alpha-IIb/beta-3" "Adhesion" "P05106|P08514" "ITGB3|ITGA2B" "ITB3_HUMAN|ITA2B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103575s5126lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103575s5126lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ofatumumab" 4951 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 9.92 "Kd" "Binding affinity for clone 2F2 ((HuMax-CD20)." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125326s060lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125326s060lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "canakinumab" 4952 "Interleukin-1 beta" "Cytokine" "P01584" "IL1B" "IL1B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125319s081lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125319s081lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "daclizumab" 4953 "Interleukin-2 receptor" "Membrane receptor" "P01589|P14784|P31785" "IL2RA|IL2RB|IL2RG" "IL2RA_HUMAN|IL2RB_HUMAN|IL2RG_HUMAN" 8 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/103749s5059lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2005/103749s5059lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "cetuximab" 4954 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.41 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125084s063lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125084s063lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "panitumumab" 4955 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 10.3 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125147s200lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125147s200lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "bevacizumab" 4956 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125085s305lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125085s305lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "pertuzumab" 4957 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125409s104lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "ipilimumab" 4958 "Cytotoxic T-lymphocyte protein 4" "Surface antigen" "P16410" "CTLA4" "CTLA4_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125377s055lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "efalizumab" 4959 "Leukocyte adhesion glycoprotein LFA-1 alpha" "Adhesion" "P20701" "ITGAL" "ITAL_HUMAN" 11.4 "Kd" "Binding of humanized MHM24 to human CD11a on Jurkat cells." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/125075s130lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/125075s130lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "insulin degludec" 4960 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002498/WC500138940.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002498/WC500138940.pdf" "AGONIST" "Tclin" "Homo sapiens" "raxibacumab" 4961 "Protective antigen" "Secreted" "P13423" "pagA" "PAG_BACAN" 8.556 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/125349s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/125349s000lbl.pdf" "ANTIBODY BINDING" "Bacillus anthracis" "brentuximab vedotin" 4964 "Tumor necrosis factor receptor superfamily member 8" "Membrane receptor" "P28908" "TNFRSF8" "TNR8_HUMAN" "antibody binding to CD30-expressing cells" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "brentuximab vedotin" 4964 "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" "microtubule disrupting agent auristatin E" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125388_S056S078lbl.pdf" "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" "denosumab" 4965 "Tumor necrosis factor ligand superfamily member 11" "Cytokine" "O14788" "TNFSF11" "TNF11_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125320s170lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125320s170lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "ustekinumab" 4966 "Interleukin-12" "Cytokine" "P29459|P29460" "IL12A|IL12B" "IL12A_HUMAN|IL12B_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ustekinumab" 4966 "Interleukin-23" "Cytokine" "P29460|Q9NPF7" "IL12B|IL23A" "IL12B_HUMAN|IL23A_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125261s114lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "golimumab" 4967 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125289s094lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125289s094lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "certolizumab pegol" 4968 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 10.046 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125160s215lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125160s215lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "eculizumab" 4969 "Complement C5" "Secreted" "P01031" "C5" "CO5_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125166s368s380lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125166s368s380lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "natalizumab" 4970 "Integrin alpha-4/beta-1" "Adhesion" "P13612|P05556" "ITGA4|ITGB1" "ITA4_HUMAN|ITB1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "natalizumab" 4970 "Integrin alpha-4/beta-7" "Adhesion" "P13612|P26010" "ITGA4|ITGB7" "ITA4_HUMAN|ITB7_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125104s840s847s889lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "ranibizumab" 4971 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125156s106lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125156s106lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "omalizumab" 4972 "Ig epsilon chain C region" "Antibody" "P01854" "IGHE" "IGHE_HUMAN" 8.16 "Kd" "In vitro binding affinity" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103976s5161lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103976s5161lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "chidamide" 4973 "Nicotinamide phosphoribosyltransferase" "Enzyme" "P43490" "NAMPT" "NAMPT_HUMAN" 5.68 "IC50" "Inhibition of human NAMPT using NAM and PRPP as substrates incubated for 90 mins in presence of NMNAT by fluorometric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "chidamide" 4973 "Nicotinamide phosphoribosyltransferase" "Cytokine" "P43490" "NAMPT" "NAMPT_HUMAN" 5.68 "IC50" "Inhibition of human NAMPT using NAM and PRPP as substrates incubated for 90 mins in presence of NMNAT by fluorometric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "chidamide" 4973 "Histone deacetylase 8" "Enzyme" "Q9BY41" "HDAC8" "HDAC8_HUMAN" 6.135 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22080169" "INHIBITOR" "Tclin" "Homo sapiens" "chidamide" 4973 "Histone deacetylase 11" "Enzyme" "Q96DB2" "HDAC11" "HDA11_HUMAN" 6.365 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22080169" "INHIBITOR" "Tclin" "Homo sapiens" "chidamide" 4973 "Histone deacetylase 2" "Enzyme" "Q92769" "HDAC2" "HDAC2_HUMAN" 6.796 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22080169" "https://pubmed.ncbi.nlm.nih.gov/22080169" "INHIBITOR" "Tclin" "Homo sapiens" "chidamide" 4973 "Histone deacetylase 1" "Enzyme" "Q13547" "HDAC1" "HDAC1_HUMAN" 7.022 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22080169" "https://pubmed.ncbi.nlm.nih.gov/22080169" "INHIBITOR" "Tclin" "Homo sapiens" "chidamide" 4973 "Histone deacetylase 3" "Enzyme" "O15379" "HDAC3" "HDAC3_HUMAN" 7.174 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22080169" "https://pubmed.ncbi.nlm.nih.gov/22080169" "INHIBITOR" "Tclin" "Homo sapiens" "chidamide" 4973 "Histone deacetylase 10" "Enzyme" "Q969S8" "HDAC10" "HDA10_HUMAN" 7.108 "IC50" "HDAC enzyme inhibition assay using BSA substrate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22080169" "https://pubmed.ncbi.nlm.nih.gov/22080169" "INHIBITOR" "Tclin" "Homo sapiens" "infliximab" 4974 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103772s5370lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "rituximab" 4975 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 8.51 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103705s5432lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103705s5432lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "triamcinolone hexacetonide" 4976 "Glucocorticoid receptor" "Nuclear hormone receptor" "P04150" "NR3C1" "GCR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/016466s046lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/016466s046lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "siltuximab" 4977 "Interleukin-6" "Cytokine" "P05231" "IL6" "IL6_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125496s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125496s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "etanercept" 4978 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103795s5548lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103795s5548lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "trastuzumab" 4979 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103792s5311lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/103792s5311lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "gemtuzumab ozogamicin" 4980 "Myeloid cell surface antigen CD33" "Surface antigen" "P20138" "CD33" "CD33_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/021174s020lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2006/021174s020lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "insulin aspart" 4981 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020986s059s081lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020986s059s081lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "vedolizumab" 4982 "Integrin alpha-4/beta-7" "Adhesion" "P13612|P26010" "ITGA4|ITGB7" "ITA4_HUMAN|ITB7_HUMAN" 8.3 "IC50" "Mechanism of Action" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125476s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "obinutuzumab" 4983 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125486_s008lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125486_s008lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "ibritumomab tiuxetan" 4984 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 7.854 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125019s210s213lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/125019s210s213lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "insulin detemir" 4985 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021536s031s051lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021536s031s051lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "pegfilgrastim" 4986 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2007/125031s082lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2007/125031s082lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "filgrastim" 4987 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103353s5184lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103353s5184lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "deoxycholic acid" 4988 "fMet-Leu-Phe receptor" "GPCR" "P21462" "FPR1" "FPR1_HUMAN" 4 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "deoxycholic acid" 4988 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 4.35 "EC50" "Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "deoxycholic acid" 4988 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 6.2 "EC50" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "deoxycholic acid" 4988 "Steroid Delta-isomerase" "Unclassified" "P07445" "ksi" "SDIS_PSEPU" 4.8 "Kd" "CHEMBL" "=" "Pseudomonas putida" "trastuzumab emtansine" 4990 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" "binding to sub-domain IV of the HER2 receptor" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "trastuzumab emtansine" 4990 "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" "microtubule destabilizing agent maytansine derivative" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125427s033lbl.pdf" "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" "lipegfilgrastim" 4991 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002556/WC500148380.pdf" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/002556/WC500148380.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "vonoprazan" 4993 "Potassium-transporting ATPase" "Transporter" "P20648|P51164" "ATP4A|ATP4B" "ATP4A_HUMAN|ATP4B_HUMAN" 8 "Ki" "[14C]TAK-438 binding" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21828261" "https://pubmed.ncbi.nlm.nih.gov/21828261" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "epoetin alfa" 4995 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" 11.15 "IC50" "Assay performed using recombinant human EPO" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103234s5323lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "romiplostim" 4996 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125268s141lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125268s141lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "evolocumab" 5000 "Proprotein convertase subtilisin/kexin type 9" "Enzyme" "Q8NBP7" "PCSK9" "PCSK9_HUMAN" 9.72 "Kd" "Dissociation equilibrium constant for wild-type hPCSK9, measured using proprietary BIACore® technology." "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23083772" "https://pubmed.ncbi.nlm.nih.gov/23083772" "INHIBITOR" "Tclin" "Homo sapiens" "eluxadoline" 5001 "Mu-type opioid receptor" "GPCR" "P33535" "Oprm1" "OPRM_RAT" 9.05 "Ki" "CHEMBL" "=" "Rattus norvegicus" "eluxadoline" 5001 "Delta-type opioid receptor" "GPCR" "P33533" "Oprd1" "OPRD_RAT" 8.89 "Ki" "CHEMBL" "=" "Rattus norvegicus" "eluxadoline" 5001 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 7.26 "Ki" "Recombinantly expressed human kappa OR" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22671931" "AGONIST" "Tclin" "Homo sapiens" "eluxadoline" 5001 "Kappa-type opioid receptor" "GPCR" "P41144" "OPRK1" "OPRK_CAVPO" 7.26 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf" "AGONIST" "Cavia porcellus" "eluxadoline" 5001 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.77 "Ki" "Recombinantly expressed human mu OR" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22671931" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "eluxadoline" 5001 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.886 "Ki" "equivalent to DPDPE in human SK-N-BE cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22671931" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206940s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "insulin lispro" 5002 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020563s124lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/020563s124lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "insulin human" 5003 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 4.74 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "Tclin" "Homo sapiens" "insulin human" 5003 "Insulin receptor" "Kinase" "P15127" "Insr" "INSR_RAT" 8.71 "IC50" "CHEMBL" "=" "Rattus norvegicus" "insulin human" 5003 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/018780s150lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/018780s150lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "mirodenafil" 5005 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 9.469 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://dx.doi.org/10.1002/jlcr.1116" "https://pubmed.ncbi.nlm.nih.gov/18638004" "INHIBITOR" "Tclin" "Homo sapiens" "cangrelor" 5006 "P2Y purinoceptor 13" "GPCR" "Q9BPV8" "P2RY13" "P2Y13_HUMAN" 8.3 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "cangrelor" 5006 "Uracil nucleotide/cysteinyl leukotriene receptor" "GPCR" "Q6NS65" "Gpr17" "GPR17_MOUSE" 8.92 "IC50" "IUPHAR" "=" "ANTAGONIST" "Mus musculus" "cangrelor" 5006 "P2Y purinoceptor 12" "GPCR" "Q9H244" "P2RY12" "P2Y12_HUMAN" 8.627 "IC50" "cAMP accumulation in HORK3-expressing cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/11502873" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204958lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "epoetin theta" 5007 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/001033/WC500043300.pdf" "AGONIST" "Tclin" "Homo sapiens" "sonidegib" 5008 "Sonic hedgehog protein" "Enzyme" "Q62226" "Shh" "SHH_MOUSE" 8.26 "IC50" "CHEMBL" "=" "Mus musculus" "sonidegib" 5008 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 8.222 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23063522" "https://pubmed.ncbi.nlm.nih.gov/22042473" "ANTAGONIST" "Tclin" "Homo sapiens" "mecasermin" 5009 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.854 "IC50" "human placental insulin receptor" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/2472386" "Tclin" "Homo sapiens" "mecasermin" 5009 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 8.31 "IC50" "human placental type 1 IGF receptor" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/2472386" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/021839s016lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "lumacaftor" 5010 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 6.456 "EC50" "human bronchial epithelial (HBE) cells with CF homozygous for the F508del CFTR mutation" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/21976485" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206038Orig1s000lbl.pdf" "PHARMACOLOGICAL CHAPERONE" "Tclin" "Homo sapiens" "aldesleukin" 5011 "Interleukin-2 receptor" "Membrane receptor" "P01589|P14784|P31785" "IL2RA|IL2RB|IL2RG" "IL2RA_HUMAN|IL2RB_HUMAN|IL2RG_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/103293s5130lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sacubitril" 5012 "Neprilysin" "Enzyme" "P08473" "MME" "NEP_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207620Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "trelagliptin" 5013 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 8.398 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21186796" "https://pubmed.ncbi.nlm.nih.gov/26115728" "INHIBITOR" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.7 "Ki" "Dopamine D2 Receptor Binding Assay: The assay was performed according to the method by Kohler et al. (Kohler C, Hall H, Ogren S O and Gawell L, Specific in vitro and in vivo binding of 3H-raclopride. A potent substituted benzamide drug with high affinity for dopamine D-2 receptors in the rat brain. Biochem. Pharmacol., 1985 34: 2251-2259). The binding assay was performed using 40 ul of the membrane specimen, 20 ul of [3H]-raclopride (final concentration 1 to 2 nM), 20 ul of a test drug and 50 mM Tris-hydrochloric acid buffer (containing 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, 1 mM MgCl2, pH 7.4) so that the total amount was 200 ul (final dimethylsulfoxide concentration 1%). The reaction was performed at room temperature for 1 hour and terminated by conducting suction filtration with a cell harvester on a glass fiber filter plate. The filter plate made of glass fiber was washed with 50 mM Tris-hydrochloric acid buffer (pH 7.4), and after dried, a microplate liquid scintillation coc" "CHEMBL" "=" "Rattus norvegicus" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 10.05 "Ki" "Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus incubated for 60 mins by radioligand binding assay" "CHEMBL" "=" "Rattus norvegicus" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 8.64 "Ki" "Serotonin 5-HT2A Receptor Binding Assay: The assay was performed according to the method by Leysen J E et al. (Leysen J E, Niemegeers C J E, Van Nueten J M and Laduron P M. [3H] Ketanserin (R 41 468), a selective 3H-ligand for serotonin 2 receptor binding sites. Mol. Pharmacol., 1982, 21: 301-314). The binding assay was performed using 40 ul of the membrane specimen, 20 ul of [3H]-Ketanserin (final concentration 1 to 3 nM), 20 ul of a test drug and 50 mM Tris-hydrochloric acid buffer (pH 7.4) so that the total amount was 200 ul (final dimethylsulfoxide concentration 1%). The reaction was performed at 37° C. for 20 minutes and terminated by conducting suction filtration with a cell harvester on a glass fiber filter plate.The filter plate made of glass fiber was washed with 50 mM Tris-hydrochloric acid buffer (pH 7.4), and after dried, a microplate liquid scintillation cocktail was added and the radioactivity was measured with a microplate scintillation counter." "CHEMBL" "=" "Rattus norvegicus" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 10.05 "Ki" "Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus incubated for 60 mins by radioligand binding assay" "CHEMBL" "=" "Rattus norvegicus" "brexpiprazole" 5014 "Beta-1 adrenergic receptor" "GPCR" "P08588" "ADRB1" "ADRB1_HUMAN" 7.229 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Beta-2 adrenergic receptor" "GPCR" "P07550" "ADRB2" "ADRB2_HUMAN" 7.174 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 6.796 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "AGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Alpha-2A adrenergic receptor" "GPCR" "P08913" "ADRA2A" "ADA2A_HUMAN" 7.824 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.538 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "INHIBITOR" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 6.857 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "INHIBITOR" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 8.721 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.469 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 6" "GPCR" "P50406" "HTR6" "5HT6R_HUMAN" 7.237 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tchem" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 8.432 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 8.42 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Alpha-2B adrenergic receptor" "GPCR" "P18089" "ADRA2B" "ADA2B_HUMAN" 7.77 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 8.959 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "AGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.721 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 7.495 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Alpha-2C adrenergic receptor" "GPCR" "P18825" "ADRA2C" "ADA2C_HUMAN" 9.229 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 6.025 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "INHIBITOR" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.201 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "AGONIST" "Tchem" "Homo sapiens" "brexpiprazole" 5014 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 8.585 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 9.77 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "ANTAGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.854 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24947465" "Tchem" "Homo sapiens" "brexpiprazole" 5014 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.523 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24947465" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9.921 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24947465" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "brexpiprazole" 5014 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.328 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24947465" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/205422s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "pegvisomant" 5015 "Growth hormone receptor" "GPCR" "P10912" "GHR" "GHR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/021106s036lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "alirocumab" 5016 "Proprotein convertase subtilisin/kexin type 9" "Enzyme" "Q8NBP7" "PCSK9" "PCSK9_HUMAN" 9.42 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125559Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "anakinra" 5017 "Interleukin-1 receptor, type I" "Membrane receptor" "P14778|Q9NPH3" "IL1R1|IL1RAP" "IL1R1_HUMAN|IL1AP_HUMAN" 7.82 "Kd" "Mechanism of Action" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2013/103950s5150lbl.pdf" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "flibanserin" 5022 "5-hydroxytryptamine receptor 1A" "GPCR" "P19327" "Htr1a" "5HT1A_RAT" 7.93 "Ki" "Binding affinity to 5HT1A receptor in rat cortex membrane" "CHEMBL" "=" "Rattus norvegicus" "flibanserin" 5022 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 6.516 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/12177684" "Tclin" "Homo sapiens" "flibanserin" 5022 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 6.439 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/12177684" "Tclin" "Homo sapiens" "flibanserin" 5022 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 8.398 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/12177684" "ANTAGONIST" "Tchem" "Homo sapiens" "flibanserin" 5022 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 7.049 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20840530" "ANTAGONIST" "Tclin" "Homo sapiens" "flibanserin" 5022 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.054 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20840530" "ANTAGONIST" "Tclin" "Homo sapiens" "flibanserin" 5022 "5-hydroxytryptamine receptor 5A" "GPCR" "P47898" "HTR5A" "5HT5A_HUMAN" 6.093 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20840530" "Tchem" "Homo sapiens" "flibanserin" 5022 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 9 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/12177684" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022526lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "flibanserin" 5022 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.31 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/12177684" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/022526lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "sargramostim" 5025 "Granulocyte macrophage colony-stimulating factor receptor" "Membrane receptor" "P15509|P32927" "CSF2RA|CSF2RB" "CSF2R_HUMAN|IL3RB_HUMAN" 8.301 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/2001448" "https://pubmed.ncbi.nlm.nih.gov/2001448" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "oprelvekin" 5026 "Interleukin-11 receptor" "Membrane receptor" "Q14626|P40189" "IL11RA|IL6ST" "I11RA_HUMAN|IL6RB_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/103694s1008lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2009/103694s1008lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "rolapitant" 5027 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.18 "Ki" "CHO cells expressing the human NK1 receptor" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22497992" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/206500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "mogamulizumab" 5031 "C-C chemokine receptor type 4" "GPCR" "P51679" "CCR4" "CCR4_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22686619" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "cariprazine" 5037 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 5.68 "Ki" "Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cells by competitive binding assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cariprazine" 5037 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.68 "IC50" "Inhibition of recombinant human ERG expressed in CHOK1 cells at -80 mV holding potential after 2 mins by patch clamp assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "cariprazine" 5037 "D(1B) dopamine receptor" "GPCR" "P21918" "DRD5" "DRD5_HUMAN" 5.1 "Ki" "Displacement of [3H]SCH23990 from human D5 receptor expressed in HEK293T cell membranes" "CHEMBL" "=" "Tchem" "Homo sapiens" "cariprazine" 5037 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.96 "Ki" "Displacement of [3H]Spiperone from human dopamine D4.4 receptor expressed in CHO cells by competitive binding assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "cariprazine" 5037 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.8 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cariprazine" 5037 "D(3) dopamine receptor" "GPCR" "P19020" "Drd3" "DRD3_RAT" 8.8 "IC50" "CHEMBL" "=" "Rattus norvegicus" "cariprazine" 5037 "5-hydroxytryptamine receptor 2B" "GPCR" "P41595" "HTR2B" "5HT2B_HUMAN" 9.24 "Ki" "CHO-K1 cells, [3H]LSD (1.2nM)" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20093397" "ANTAGONIST" "Tclin" "Homo sapiens" "cariprazine" 5037 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.87 "Ki" "CHO-K1 cells, [3H]Mesulergine (1.0nM)" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20093397" "ANTAGONIST" "Tclin" "Homo sapiens" "cariprazine" 5037 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 6.95 "Ki" "CHO cells, [3H]LSD (1.5nM)" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20093397" "Tclin" "Homo sapiens" "cariprazine" 5037 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 10.07 "Ki" "CHO cells, [3H]Spiperone (0.7nM)" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20093397" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "cariprazine" 5037 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.63 "Ki" "CHO-1 cells, [3H]Pyrilamine (1.5nM)" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20093397" "ANTAGONIST" "Tclin" "Homo sapiens" "cariprazine" 5037 "Alpha-1D adrenergic receptor" "GPCR" "P25100" "ADRA1D" "ADA1D_HUMAN" 6.68 "Ki" "HEK-293 cells, [3H]Prazosin (0.6nM)" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20093397" "Tclin" "Homo sapiens" "cariprazine" 5037 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.31 "Ki" "CHO cells, [3H]Spiperone (0.16nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20093397" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204370lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "cariprazine" 5037 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.59 "Ki" "CHO cells, [3H]8-OH-DPAT (1.5nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20093397" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204370lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "cariprazine" 5037 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 7.73 "Ki" "CHO-K1 cells, [3H]Ketanserine (0.5nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20093397" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204370lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "tannic acid" 5039 "Carbonic anhydrase 2" "Enzyme" "P00918" "CA2" "CAH2_HUMAN" 4.48 "Ki" "Inhibition of human CA2 using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tannic acid" 5039 "Carbonic anhydrase 1" "Enzyme" "P00915" "CA1" "CAH1_HUMAN" 4.12 "Ki" "Inhibition of human CA1 using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tannic acid" 5039 "3-hydroxy-3-methylglutaryl-coenzyme A reductase" "Enzyme" "P04035" "HMGCR" "HMDH_HUMAN" 5.5 "IC50" "DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA)" "CHEMBL" "=" "Tclin" "Homo sapiens" "tannic acid" 5039 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.34 "IC50" "DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tannic acid" 5039 "Cytochrome P450 1A2" "Enzyme" "P05177" "CYP1A2" "CP1A2_HUMAN" 6.04 "IC50" "DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tannic acid" 5039 "cGMP-specific 3',5'-cyclic phosphodiesterase" "Enzyme" "O76074" "PDE5A" "PDE5A_HUMAN" 5.33 "IC50" "DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP)" "CHEMBL" "=" "Tclin" "Homo sapiens" "tannic acid" 5039 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.1 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "Tclin" "Homo sapiens" "tannic acid" 5039 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 7.66 "IC50" "DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr))" "CHEMBL" "=" "Tclin" "Homo sapiens" "tannic acid" 5039 "Thromboxane-A synthase" "Enzyme" "P24557" "TBXAS1" "THAS_HUMAN" 6.49 "IC50" "DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tannic acid" 5039 "Carbonic anhydrase 6" "Enzyme" "P23280" "CA6" "CAH6_HUMAN" 4.75 "Ki" "Inhibition of human CA6 using 4-nitrophenylacetate substrate by esterase assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tannic acid" 5039 "Mitogen-activated protein kinase 3" "Kinase" "P27361" "MAPK3" "MK03_HUMAN" 5.39 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tannic acid" 5039 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 6.43 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tannic acid" 5039 "Aldose reductase" "Enzyme" "P07943" "Akr1b1" "ALDR_RAT" 6.46 "IC50" "CHEMBL" "=" "Rattus norvegicus" "tannic acid" 5039 "Arachidonate 15-lipoxygenase" "Enzyme" "P12530" "ALOX15" "LOX15_RABIT" 6.57 "IC50" "CHEMBL" "=" "Oryctolagus cuniculus" "tannic acid" 5039 "Mitogen-activated protein kinase 1" "Kinase" "P28482" "MAPK1" "MK01_HUMAN" 6.73 "IC50" "DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein)" "CHEMBL" "=" "Tchem" "Homo sapiens" "tannic acid" 5039 "Carbonic anhydrase" "Enzyme" "Q2PCB5" "ca" "Q2PCB5_DICLA" 5.03 "Ki" "CHEMBL" "=" "Dicentrarchus labrax" "tannic acid" 5039 "Leukotriene C4 synthase" "Unclassified" "A6XA80" "LTC4S" "LTC4S_CAVPO" 5.57 "IC50" "CHEMBL" "=" "Cavia porcellus" "somatrem" 5042 "Growth hormone receptor" "GPCR" "P10912" "GHR" "GHR_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/6285914" "AGONIST" "Tclin" "Homo sapiens" "reteplase" 5044 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8891469" "ACTIVATOR" "Tclin" "Homo sapiens" "cobimetinib" 5046 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 8.74 "IC50" "Inhibition of B-raf V600E mutant in human COLO205 cells assessed as reduction of ERK1/ERK2 phosphorylation" "CHEMBL" "=" "Tclin" "Homo sapiens" "cobimetinib" 5046 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 6.7 "IC50" "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "cobimetinib" 5046 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 9.046 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24900486" "https://pubmed.ncbi.nlm.nih.gov/22084396" "INHIBITOR" "Tclin" "Homo sapiens" "saroglitazar" 5047 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 9.187 "EC50" "PPRE-luc transactivation assay in HepG2 cells transfected with hPPAR-alpha and hPPAR-gamma receptors" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/26171220" "https://pubmed.ncbi.nlm.nih.gov/26171220" "AGONIST" "Tclin" "Homo sapiens" "saroglitazar" 5047 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 8.523 "EC50" "PPRE-luc transactivation assay in HepG2 cells transfected with hPPAR-alpha and hPPAR-gamma receptors" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/26171220" "https://pubmed.ncbi.nlm.nih.gov/26171220" "AGONIST" "Tclin" "Homo sapiens" "pitolisant" 5048 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.77 "IC50" "Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pitolisant" 5048 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 5.94 "Ki" "Displacement of [3H]pyrilamine from human H1 receptor expressed in CHO cell membrane after 120 mins by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "pitolisant" 5048 "Histamine H2 receptor" "GPCR" "P25021" "HRH2" "HRH2_HUMAN" 4.96 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "pitolisant" 5048 "Histamine H3 receptor" "GPCR" "Q9QYN8" "Hrh3" "HRH3_RAT" 7.77 "Ki" "CHEMBL" "=" "Rattus norvegicus" "pitolisant" 5048 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.08 "IC50" "Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 5 mins by Ellman's method" "CHEMBL" "=" "Equus caballus" "pitolisant" 5048 "Histamine H3 receptor" "GPCR" "P58406" "Hrh3" "HRH3_MOUSE" 7.85 "Ki" "Displacement of [125I]-iodoproxyfan from mouse brain cortex H3 receptor after 60 mins by gamma counting method" "CHEMBL" "=" "Mus musculus" "pitolisant" 5048 "Histamine H3 receptor" "GPCR" "Q9JI35" "HRH3" "HRH3_CAVPO" 9.8 "Ki" "Inhibition of Guinea Pig Ileum H3R" "CHEMBL" "=" "Cavia porcellus" "pitolisant" 5048 "Cholinesterase" "Enzyme" "P81908" "BCHE" "CHLE_HORSE" 5.08 "IC50" "Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins prior to substrate addition measured after 5 mins by Ellman's method" "CHEMBL" "=" "Equus caballus" "pitolisant" 5048 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.77 "IC50" "Inhibition of human ERG expressed in CHO cells at holding potential of -90 mV by patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "pitolisant" 5048 "Histamine H3 receptor" "GPCR" "Q9JI35" "HRH3" "HRH3_CAVPO" 9.8 "Ki" "Inhibition of Guinea Pig Ileum H3R" "CHEMBL" "=" "Cavia porcellus" "pitolisant" 5048 "Histamine H3 receptor" "GPCR" "Q9Y5N1" "HRH3" "HRH3_HUMAN" 9.796 "Ki" "[35S]GTP-gamma-S binding in HEK-293 cells stably expressing the human H3" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17005916" "https://pubmed.ncbi.nlm.nih.gov/21615387" "INVERSE AGONIST" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 1B" "GPCR" "P28222" "HTR1B" "5HT1B_HUMAN" 6.1 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 1D" "GPCR" "P28221" "HTR1D" "5HT1D_HUMAN" 7.2 "Ki" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 9.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 2A" "GPCR" "P14842" "Htr2a" "5HT2A_RAT" 7.7 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 7" "GPCR" "P32305" "Htr7" "5HT7R_RAT" 7.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "aripiprazole lauroxil" 5052 "D(4) dopamine receptor" "GPCR" "P30729" "Drd4" "DRD4_RAT" 7.3 "Ki" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 6" "GPCR" "P31388" "Htr6" "5HT6R_RAT" 6.8 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 7.824 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 7" "GPCR" "P34969" "HTR7" "5HT7R_HUMAN" 7.409 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "D(3) dopamine receptor" "GPCR" "P35462" "DRD3" "DRD3_HUMAN" 9.097 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "Histamine H1 receptor" "GPCR" "P35367" "HRH1" "HRH1_HUMAN" 7.215 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 7.357 "Ki" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "Tchem" "Homo sapiens" "aripiprazole lauroxil" 5052 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 9.469 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 8.77 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "aripiprazole lauroxil" 5052 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 8.469 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207533s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "omarigliptin" 5054 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.41 "IC50" "Inhibition of human ERG assessed as reduction in IKr current" "CHEMBL" "=" "Tclin" "Homo sapiens" "omarigliptin" 5054 "Dipeptidyl peptidase 4" "Enzyme" "P28843" "Dpp4" "DPP4_MOUSE" 7.36 "IC50" "CHEMBL" "=" "Mus musculus" "omarigliptin" 5054 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9.097 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24660890" "https://pubmed.ncbi.nlm.nih.gov/24660890" "INHIBITOR" "Tclin" "Homo sapiens" "insulin glulisine" 5057 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/021629s030lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "lusutrombopag" 5059 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" 7.076 "EC50" "Mechanism of Action; cell proliferation; recombinant human TPO" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/29274361" "http://www.sciencedirect.com/science/article/pii/S0168827814610941" "AGONIST" "Tclin" "Homo sapiens" "esflurbiprofen" 5060 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 6.04 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "esflurbiprofen" 5060 "Prostaglandin G/H synthase 1" "Enzyme" "Q63921" "Ptgs1" "PGH1_RAT" 7.52 "IC50" "CHEMBL" "=" "Rattus norvegicus" "mepolizumab" 5061 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 10 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125526Orig1s000Lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125526Orig1s000Lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "osimertinib" 5062 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.79 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "osimertinib" 5062 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.04 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "osimertinib" 5062 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.75 "IC50" "Inhibition of GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using Poly G:T (4:1) as substrate after 30 mins by Z-LYTE assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "osimertinib" 5062 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 8.68 "IC50" "Inhibition of EGFR L858R mutant (unknown origin) using poly (Glu, Tyr) as substrate after 40 mins by kinase-glo plus luminescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "osimertinib" 5062 "Dipeptidyl peptidase 1" "Enzyme" "P53634" "CTSC" "CATC_HUMAN" 4.48 "IC50" "Inhibition of cathepsin C (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "osimertinib" 5062 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.75 "IC50" "Inhibition of GST-tagged human ALK cytoplasmic domain (1058 to 1620 residues) expressed in baculovirus expression system using Poly G:T (4:1) as substrate after 30 mins by Z-LYTE assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "osimertinib" 5062 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.824 "IC50" "Inhibition of EGFR phosphorylation in double mutant cell line H1975" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25271963" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208065s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "daratumumab" 5063 "Lymphocyte differentiation antigen CD38" "Tumour-associated antigen" "P28907" "CD38" "CD38_HUMAN" 8.22 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/761036Orig1s000lbledt.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "climbazole" 5064 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 7 "IC50" "null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. CYP3A4A is thought to be one of the primary CYP isoforms responsible for retinoic acid metabolism in the skin. Three benchmark agents, liarozole, climbazole, and ketoconazole, were assessed for CYP3A4 inhibition to confirm that the inhibition activity (the IC50 for CYP3A4 inhibition) measured by the assay corresponds to the activity reported by the published literature. The results show that the substituted azole compounds having the specific structure set forth herein are CYP inhibitors, and thus function as RAMBAs." "CHEMBL" "=" "Tclin" "Homo sapiens" "trenbolone hexahydrobenzylcarbonate" 5065 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 8.58 "IC50" "CHEMBL" "=" "Rattus norvegicus" "trenbolone hexahydrobenzylcarbonate" 5065 "Polymerase acidic protein" "Enzyme" "P03433" "PA" "PA_I34A1" 4.04 "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)" "tenecteplase" 5066 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.fda.gov/downloads/Drugs/DevelopmentApprovalProcess/HowDrugsareDevelopedandApproved/ApprovalApplications/TherapeuticBiologicApplications/UCM200875.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "ixazomib" 5067 "Proteasome subunit beta type-1" "Enzyme" "P20618" "PSMB1" "PSB1_HUMAN" 7.509 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20160034" "INHIBITOR" "Tclin" "Homo sapiens" "ixazomib" 5067 "Proteasome subunit beta type-2" "Enzyme" "P49721" "PSMB2" "PSB2_HUMAN" 5.456 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20160034" "INHIBITOR" "Tclin" "Homo sapiens" "ixazomib" 5067 "Proteasome subunit beta type-5" "Enzyme" "P28074" "PSMB5" "PSB5_HUMAN" 8.469 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20160034" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/208462lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "brivaracetam" 5068 "Synaptic vesicle glycoprotein 2A" "Unclassified" "Q02563" "Sv2a" "SV2A_RAT" 7 "IC50" "In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site, in rat brain homogenate." "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "brivaracetam" 5068 "Synaptic vesicle glycoprotein 2A" "Transporter" "Q7L0J3" "SV2A" "SV2A_HUMAN" 7.1 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/18500360" "https://pubmed.ncbi.nlm.nih.gov/18500360" "MODULATOR" "Tclin" "Homo sapiens" "necitumumab" 5071 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 9.49 "Kd" "Binding affinity of whole IMC-11F8 IgG using BIAcore sensor technology." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125547s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "elotuzumab" 5072 "SLAM family member 7" "Membrane receptor" "Q9NQ25" "SLAMF7" "SLAF7_HUMAN" 8.05 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/761035s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "lesinurad" 5075 "Solute carrier family 22 member 11" "Transporter" "Q9NSA0" "SLC22A11" "S22AB_HUMAN" 5.432 "IC50" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207988lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lesinurad" 5075 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 5.137 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207988lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207988lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "selexipag" 5077 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 5.24 "Ki" "" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "selexipag" 5077 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.31 "Ki" "" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "selexipag" 5077 "Prostaglandin D2 receptor" "GPCR" "Q13258" "PTGDR" "PD2R_HUMAN" 7 "EC50" "Agonist activity at recombinant human DP1 receptor expressed in CHO-K1 cells assessed as increase in intracellular cAMP level after 1 hr incubation by HTRF method" "CHEMBL" "=" "Tclin" "Homo sapiens" "selexipag" 5077 "Prostacyclin receptor" "GPCR" "P43253" "Ptgir" "PI2R_RAT" 5.68 "Ki" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "selexipag" 5077 "Prostaglandin E2 receptor EP4 subtype" "GPCR" "P35408" "PTGER4" "PE2R4_HUMAN" 5.31 "Ki" "" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "selexipag" 5077 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 5.24 "Ki" "" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "selexipag" 5077 "Prostacyclin receptor" "GPCR" "P43119" "PTGIR" "PI2R_HUMAN" 7.699 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26291199" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/207947s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "lobeglitazone" 5078 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 7.699 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/22047812" "AGONIST" "Tclin" "Homo sapiens" "lobeglitazone" 5078 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 7.745 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22047812" "https://pubmed.ncbi.nlm.nih.gov/22047812" "AGONIST" "Tclin" "Homo sapiens" "elbasvir" 5080 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.7 "EC50" "Inhibition of NS5A in HCV genotype 3a assessed as decrease in viral replication" "CHEMBL" "=" "Hepatitis C virus" "elbasvir" 5080 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.7 "EC50" "Inhibition of NS5A in HCV genotype 3a assessed as decrease in viral replication" "CHEMBL" "=" "Hepatitis C virus" "elbasvir" 5080 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 11.523 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "elbasvir" 5080 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 11.398 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "elbasvir" 5080 "Genome polyprotein" "Polyprotein" "O39929" "POLG_HCVED" 12.523 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 4a (isolate ED43)" "grazoprevir" 5081 "NS3" "Enzyme" "A3EZI9" "NS3" "A3EZI9_9HEPC" 10.4 "Ki" "Inhibition of HCV subtype 1b NS3 protease D168E mutant pre-incubated for 30 mins before TRF peptide substrate addition and measured after 1 hr by time resolved fluorescence assay" "CHEMBL" "=" "Hepatitis C virus" "grazoprevir" 5081 "Genome polyprotein" "Unclassified" "K7XJL6" "" "K7XJL6_9HEPC" 9.85 "Ki" "Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence analysis" "CHEMBL" "=" "Hepacivirus C" "grazoprevir" 5081 "NS3 protease" "Unclassified" "Q0ZMF1" "NS3" "Q0ZMF1_9HEPC" 10.15 "IC50" "Inhibition of Hepatitis C virus genotype 1b NS3/4A protease R155K mutant assessed as substrate cleavage using Ac-C(Eu)DDMEEAbu(COO)ASK(QSY7)-amide as substrate incubated for 30 mins prior to substrate addition by time-resolved fluorescence assay" "CHEMBL" "=" "Hepatitis C virus subtype 1b" "grazoprevir" 5081 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 12.301 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "grazoprevir" 5081 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 12.398 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "grazoprevir" 5081 "Genome polyprotein" "Polyprotein" "O39929" "POLG_HCVED" 12.523 "EC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 4a (isolate ED43)" "ixekizumab" 5083 "Interleukin-17A" "Cytokine" "Q16552" "IL17A" "IL17_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125521s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "denileukin diftitox" 5087 "Interleukin-2 receptor" "Membrane receptor" "P01589|P14784|P31785" "IL2RA|IL2RB|IL2RG" "IL2RA_HUMAN|IL2RB_HUMAN|IL2RG_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/103767s5119lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alefacept" 5088 "T-cell surface antigen CD2" "Surface antigen" "P06729" "CD2" "CD2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2012/125036s0144lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "abatacept" 5089 "T-lymphocyte activation antigen CD80" "Surface antigen" "P33681" "CD80" "CD80_HUMAN" 7.92 "Kd" "Measuring binding of 125I-labeled B7Ig fusion protein to immobilized abatacept." "IUPHAR" "~" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125118s179lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "abatacept" 5089 "T-lymphocyte activation antigen CD86" "Surface antigen" "P42081" "CD86" "CD86_HUMAN" 7.92 "Kd" "Measuring binding of 125I-labeled B7Ig fusion protein to immobilized abatacept." "IUPHAR" "~" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125118s179lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "belatacept" 5091 "T-lymphocyte activation antigen CD80" "Surface antigen" "P33681" "CD80" "CD80_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125288s062lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "belatacept" 5091 "T-lymphocyte activation antigen CD86" "Surface antigen" "P42081" "CD86" "CD86_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2014/125288s062lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "reslizumab" 5093 "Interleukin-5" "Cytokine" "P05113" "IL5" "IL5_HUMAN" 10.092 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761033lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761033lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "obiltoxaximab" 5094 "Protective antigen" "Secreted" "P13423" "pagA" "PAG_BACAN" 9.481 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125509lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125509lbl.pdf" "ANTIBODY BINDING" "Bacillus anthracis" "rilonacept" 5105 "Interleukin-1 alpha" "Cytokine" "P01583" "IL1A" "IL1A_HUMAN" 11.854 "Kd" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "rilonacept" 5105 "Interleukin-1 receptor antagonist protein" "Unclassified" "P18510" "IL1RN" "IL1RA_HUMAN" 11.215 "Kd" "DRUG LABEL" "=" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "rilonacept" 5105 "Interleukin-1 beta" "Cytokine" "P01584" "IL1B" "IL1B_HUMAN" 12.301 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/125249lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "urokinase" 5109 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2008/021846s101lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "migalastat" 5110 "Maltase-glucoamylase, intestinal" "Enzyme" "O43451" "MGAM" "MGA_HUMAN" 5.82 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "migalastat" 5110 "Lysosomal alpha-glucosidase" "Enzyme" "P10253" "GAA" "LYAG_HUMAN" 5.22 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "migalastat" 5110 "Non-lysosomal glucosylceramidase" "Enzyme" "Q9HCG7" "GBA2" "GBA2_HUMAN" 4 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "migalastat" 5110 "Sucrase-isomaltase, intestinal" "Enzyme" "P14410" "SI" "SUIS_HUMAN" 6.59 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "migalastat" 5110 "Glycogen debranching enzyme" "Enzyme" "P35573" "AGL" "GDE_HUMAN" 5 "IC50" "CHEMBL" "=" "Tbio" "Homo sapiens" "migalastat" 5110 "Lactase-phlorizin hydrolase" "Enzyme" "P09848" "LCT" "LPH_HUMAN" 4.3 "IC50" "CHEMBL" "=" "Tbio" "Homo sapiens" "migalastat" 5110 "Beta-galactosidase" "Enzyme" "P16278" "GLB1" "BGAL_HUMAN" 4.05 "IC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "migalastat" 5110 "Beta-galactosidase" "Enzyme" "Q59750" "lacZ" "BGAL_RHIML" 4.9 "Ki" "CHEMBL" "=" "Rhizobium meliloti" "migalastat" 5110 "Lactase-phlorizin hydrolase" "Enzyme" "Q02401" "Lct" "LPH_RAT" 4.14 "IC50" "CHEMBL" "=" "Rattus norvegicus" "migalastat" 5110 "Alpha-galactosidase C" "Enzyme" "Q9UUZ4" "aglC" "AGALC_ASPNG" 5.74 "IC50" "CHEMBL" "=" "Aspergillus niger" "migalastat" 5110 "Alpha-galactosidase" "Enzyme" "Q42656" "AGAL_COFAR" 8.52 "IC50" "CHEMBL" "=" "Coffea arabica" "migalastat" 5110 "Beta-galactosidase" "Enzyme" "D3ZUM4" "Glb1" "D3ZUM4_RAT" 4.62 "IC50" "CHEMBL" "=" "Rattus norvegicus" "migalastat" 5110 "Beta-galactosidase" "Enzyme" "Q8VNN2" "lacZ" "BGAL_ECOLX" 4.89 "Ki" "Inhibition of Escherichia coli beta-galactosidase" "CHEMBL" "=" "Escherichia coli" "migalastat" 5110 "Alpha-galactosidase A" "Enzyme" "P06280" "GLA" "AGAL_HUMAN" 7.15 "IC50" "CHEMBL" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004059/WC500208434.pdf" "PHARMACOLOGICAL CHAPERONE" "Tclin" "Homo sapiens" "chromic chloride" 5118 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.53 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "chromic chloride" 5118 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.76 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "venetoclax" 5133 "Bcl-2-like protein 1" "Cytosolic other" "Q07817" "BCL2L1" "B2CL1_HUMAN" 7.319 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23291630" "INHIBITOR" "Tchem" "Homo sapiens" "venetoclax" 5133 "Apoptosis regulator Bcl-W" "Cytosolic other" "Q92843" "BCL2L2" "B2CL2_HUMAN" 6.611 "Ki" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23291630" "INHIBITOR" "Tchem" "Homo sapiens" "venetoclax" 5133 "Apoptosis regulator Bcl-2" "Cytosolic other" "P10415" "BCL2" "BCL2_HUMAN" 11 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/23291630" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208573s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "peginterferon beta-1a" 5137 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/125499s009lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "interferon beta-1a" 5139 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103628s5258lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "interferon beta-1b" 5140 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103471s5188lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "alteplase" 5141 "Plasminogen" "Enzyme" "P00747" "PLG" "PLMN_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103172s5203lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "pimavanserin" 5142 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 8.8 "Ki" "3 nM [3H]mesulergine binding in cell membranes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/16469866" "INVERSE AGONIST" "Tclin" "Homo sapiens" "pimavanserin" 5142 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.3 "Ki" "1 nM [3H]ketanserin binding in cell membranes" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/16469866" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/207318lbl.pdf" "INVERSE AGONIST" "Tclin" "Homo sapiens" "opicapone" 5143 "Catechol O-methyltransferase" "Enzyme" "P22734" "Comt" "COMT_RAT" 8.82 "Ki" "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "opicapone" 5143 "Catechol O-methyltransferase" "Enzyme" "O88587" "Comt" "COMT_MOUSE" 8.82 "Ki" "IUPHAR" "=" "INHIBITOR" "Mus musculus" "opicapone" 5143 "Catechol O-methyltransferase" "Enzyme" "P21964" "COMT" "COMT_HUMAN" 9 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24847974" "https://pubmed.ncbi.nlm.nih.gov/24847974" "INHIBITOR" "Tclin" "Homo sapiens" "gluconolactone" 5144 "Glucosylceramidase" "Enzyme" "P04062" "GBA" "GLCM_HUMAN" 4.52 "Ki" "CHEMBL" "=" "Tclin" "Homo sapiens" "choriogonadotropin alfa" 5149 "Lutropin-choriogonadotropic hormone receptor" "GPCR" "P22888" "LHCGR" "LSHR_HUMAN" "CHEMBL" 1 "CHEMBL" "https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL1201464" "AGONIST" "Tclin" "Homo sapiens" "atezolizumab" 5151 "Programmed cell death 1 ligand 1" "CD molecules" "Q9NZQ7" "CD274" "PD1L1_HUMAN" 9.39 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27412122" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761034s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "velpatasvir" 5154 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 11 "EC50" "Inhibition of NS5A N62V mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "velpatasvir" 5154 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 11 "EC50" "Inhibition of NS5A N62V mutant in HCV genotype 2a infected in human HuH7 replicon cells assessed as reduction in viral replication after 3 days by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 10.796 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "P27958" "POLG_HCVH" 10.854 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1a (isolate H)" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q99IB8" "POLG_HCVJF" 10.979 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 2a (isolate JFH-1)" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "O39929" "POLG_HCVED" 11.046 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 4a (isolate ED43)" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q81495" "POLG_HCVK3" 11.398 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 3a (isolate k3a) (HCV)" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q9DHD6" "POLG_HCVJP" 11.398 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 2b (isolate JPUT971017) (HCV)" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "O91936" "POLG_HCVSA" 10.426 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 5a (isolate SA13) (HCV)" "velpatasvir" 5154 "Genome polyprotein" "Polyprotein" "Q5I2N3" "POLG_HCV6A" 11.097 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208341s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 6a (isolate 6a33) (HCV)" "obeticholic acid" 5155 "G-protein coupled bile acid receptor 1" "GPCR" "Q8TDU6" "GPBAR1" "GPBAR_HUMAN" 7 "EC50" "CHEMBL" "=" "Tchem" "Homo sapiens" "obeticholic acid" 5155 "Bile acid receptor" "Nuclear hormone receptor" "Q96RI1" "NR1H4" "NR1H4_HUMAN" 7.004 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/12166927" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/207999s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "darbepoetin alfa" 5157 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103951s5363lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "peginterferon alfa-2a" 5158 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103964s5264lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "epoetin beta" 5160 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000116/WC500024979.pdf" "AGONIST" "Tclin" "Homo sapiens" "peginterferon alfa-2b" 5164 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/103949s5299lbl.pdf" "AGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "methoxy polyethylene glycol-epoetin beta" 5165 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/125164s071s072s073lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "lenograstim" 5167 "Granulocyte colony-stimulating factor receptor" "Membrane receptor" "Q99062" "CSF3R" "CSF3R_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/10776839" "ACTIVATOR" "Tclin" "Homo sapiens" "eldecalcitol" 5169 "Vitamin D3 receptor" "Nuclear hormone receptor" "P11473" "VDR" "VDR_HUMAN" "UNKNOWN" 1 "KEGG DRUG" "http://www.kegg.jp/entry/D07578" "AGONIST" "Tclin" "Homo sapiens" "eldecalcitol" 5169 "Vitamin D3 receptor" "Transcription factor" "P13053" "Vdr" "VDR_RAT" 8 "Kd" "IUPHAR" "=" "AGONIST" "Rattus norvegicus" "epoetin zeta" 5170 "Erythropoietin receptor" "Membrane receptor" "P19235" "EPOR" "EPOR_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/000872/WC500054377.pdf" "AGONIST" "Tclin" "Homo sapiens" "lifitegrast" 5174 "Intercellular adhesion molecule 1" "Unclassified" "P05362" "ICAM1" "ICAM1_HUMAN" 8.53 "IC50" "CHEMBL" "=" "Homo sapiens" "lifitegrast" 5174 "Integrin alpha-L/beta-2" "Adhesion" "P20701|P05107" "ITGAL|ITGB2" "ITAL_HUMAN|ITB2_HUMAN" 8.046 "IC50" "inhibition of ICAM-1 binding to LFA-1 in HuT 78 cell line" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24900456" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208073s000lbl.pdf" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "muromonab-CD3" 5177 "T-cell surface glycoprotein CD3" "Surface antigen" "P07766|P09693|P04234" "CD3E|CD3G|CD3D" "CD3E_HUMAN|CD3G_HUMAN|CD3D_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "IUPHAR" "http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=6889" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "brodalumab" 5179 "Interleukin-17 receptor" "Membrane receptor" "Q96F46|Q8NAC3" "IL17RA|IL17RC" "I17RA_HUMAN|I17RC_HUMAN" 9.2 "Kd" "IUPHAR" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22455412" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "etelcalcetide" 5181 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 4.6 "EC50" "Measuring ligand induced IP1 accumulation." "IUPHAR" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/003995/WC500217100.pdf" "AGONIST" "Tclin" "Homo sapiens" "eteplirsen" 5182 "exon 51 of dystrophin pre-mRNA" "RNA" "P11532" "DMD" "DMD_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2016/206488lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "olaratumab" 5183 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 10.4 "Kd" "BIAcore assay" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761038lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "gallium (68Ga) edotreotide" 5185 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 8.6 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210828s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210828s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "bezlotoxumab" 5186 "Toxin B" "Enzyme" "P18177" "toxB" "TOXB_CLODI" 9 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761046s000lbl.pdf" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/761046s000lbl.pdf" "ANTIBODY BINDING" "Clostridioides difficile" "radotinib" 5188 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.514 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25676420" "https://pubmed.ncbi.nlm.nih.gov/25676420" "INHIBITOR" "Tclin" "Homo sapiens" "crisaborole" 5201 "Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A" "Enzyme" "P54750" "PDE1A" "PDE1A_HUMAN" 5.21 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "crisaborole" 5201 "High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A" "Enzyme" "Q13946" "PDE7A" "PDE7A_HUMAN" 6.14 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "crisaborole" 5201 "Phosphodiesterase 4" "Enzyme" "P27815|Q07343|Q08493|Q08499" "PDE4A|PDE4B|PDE4C|PDE4D" "PDE4A_HUMAN|PDE4B_HUMAN|PDE4C_HUMAN|PDE4D_HUMAN" 6.31 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20188549" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/207695s000lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "baricitinib" 5202 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.1 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "baricitinib" 5202 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.77 "Kd" "Binding affinity determined in a cell-free biochemical assay." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "baricitinib" 5202 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 7.4 "Kd" "Binding affinity determined in a cell-free biochemical assay." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "baricitinib" 5202 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6.87 "Kd" "Binding affinity determined in a cell-free biochemical assay." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "baricitinib" 5202 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 7.276 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20363976" "INHIBITOR" "Tclin" "Homo sapiens" "baricitinib" 5202 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.229 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20363976" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004085/WC500223723.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "baricitinib" 5202 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 8.244 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20363976" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004085/WC500223723.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "rucaparib" 5203 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 6.05 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Tchem" "Homo sapiens" "rucaparib" 5203 "Tankyrase-1" "Enzyme" "O95271" "TNKS" "TNKS1_HUMAN" 6.84 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Tchem" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 4" "Enzyme" "Q9UKK3" "PARP4" "PARP4_HUMAN" 6.08 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 10" "Enzyme" "Q53GL7" "PARP10" "PAR10_HUMAN" 6.25 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 12" "Enzyme" "Q9H0J9" "PARP12" "PAR12_HUMAN" 5.18 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 14" "Enzyme" "Q460N5" "PARP14" "PAR14_HUMAN" 5.05 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 15" "Enzyme" "Q460N3" "PARP15" "PAR15_HUMAN" 4.49 "IC50" "SCIENTIFIC LITERATURE" "=" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "INHIBITOR" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 7.55 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/209115s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.5 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/209115s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "rucaparib" 5203 "Poly [ADP-ribose] polymerase 3" "Enzyme" "Q9Y6F1" "PARP3" "PARP3_HUMAN" 6.39 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "http://dx.doi.org/10.1021/acs.jmedchem.6b00990" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2016/209115s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "plecanatide" 5208 "Tumor necrosis factor" "Cytokine" "P01375" "TNF" "TNFA_HUMAN" 8.42 "Kd" "Binding affinity to TNF-alpha (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "plecanatide" 5208 "Tumor necrosis factor receptor superfamily member 1A" "Unclassified" "P19438" "TNFRSF1A" "TNR1A_HUMAN" 4.66 "IC50" "Inhibition of TNFR1 (unknown origin)" "CHEMBL" "=" "Homo sapiens" "plecanatide" 5208 "Heat-stable enterotoxin receptor" "Enzyme" "P25092" "GUCY2C" "GUC2C_HUMAN" 6.721 "EC50" "Stimulation of cGMP synthesis in T84 cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26558155" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208745lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "icotinib" 5209 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.699 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/22959248" "https://pubmed.ncbi.nlm.nih.gov/22088449" "INHIBITOR" "Tclin" "Homo sapiens" "olmutinib" 5210 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 9 "IC50" "Inhibition of BTK (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "olmutinib" 5210 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.036 "IC50" "HCC827 cells expressing EGFR(DEL19)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/27357069" "https://pubmed.ncbi.nlm.nih.gov/27357069" "INHIBITOR" "Tclin" "Homo sapiens" "apatinib" 5211 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 6.28 "IC50" "Assay used apatinib mesylate (YN968D1)" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "apatinib" 5211 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.368 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21443688" "INHIBITOR" "Tclin" "Homo sapiens" "apatinib" 5211 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.276 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21443688" "INHIBITOR" "Tclin" "Homo sapiens" "apatinib" 5211 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.886 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21443688" "INHIBITOR" "Tclin" "Homo sapiens" "apatinib" 5211 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21443688" "https://pubmed.ncbi.nlm.nih.gov/21443688" "INHIBITOR" "Tclin" "Homo sapiens" "telotristat ethyl" 5214 "Tryptophan 5-hydroxylase 1" "Enzyme" "P17752" "TPH1" "TPH1_HUMAN" 7.796 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/28041831" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208794s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "beclabuvir" 5215 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.61 "IC50" "CHEMBL" "=" "Tclin" "Homo sapiens" "beclabuvir" 5215 "RNA-directed RNA polymerase" "Unclassified" "O39930" "NS5b" "O39930_9HEPC" 6.72 "IC50" "Inhibition of HCV Con1 genotype 1b NS5B RNA dependent RNA polymerase P495L mutant-mediated incorporation of radiolabeled nucleotides by scintillation proximity assay" "CHEMBL" "=" "Hepacivirus C" "cytisine" 5217 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "P36544" "CHRNA7" "ACHA7_HUMAN" 5.85 "Ki" "Binding affinity to human Nicotinic acetylcholine receptor alpha7 expressed in IMR32 cells using [3H]alpha-bungarotoxin" "CHEMBL" "=" "Tchem" "Homo sapiens" "cytisine" 5217 "Acetylcholine receptor subunit delta" "Ion channel" "P02718" "chrnd" "ACHD_TORCA" 4 "EC50" "Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)" "CHEMBL" "=" "Torpedo californica" "cytisine" 5217 "Neuronal acetylcholine receptor subunit alpha-4" "Ion channel" "P09483" "Chrna4" "ACHA4_RAT" 9.47 "Ki" "Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates" "CHEMBL" "=" "Rattus norvegicus" "cytisine" 5217 "Neuronal acetylcholine receptor subunit alpha-7" "Ion channel" "Q05941" "Chrna7" "ACHA7_RAT" 9.05 "Ki" "In vitro binding affinity towards Nicotinic acetylcholine receptor alpha7 using [125I]-alpha-Bungarotoxin in rat brain" "CHEMBL" "=" "Rattus norvegicus" "cytisine" 5217 "Acetylcholine receptor subunit alpha" "Ion channel" "P02710" "CHRNA1" "ACHA_TORCA" 5.45 "IC50" "Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs membranes by scintillation counting method" "CHEMBL" "=" "Torpedo californica" "cytisine" 5217 "Nicotinic acetylcholine receptor alpha 5 subunit" "Ion channel" "A9XFY4" "nAChRalpha5" "A9XFY4_MUSDO" 5.91 "Ki" "Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting" "CHEMBL" "=" "Musca domestica" "ribociclib" 5218 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 4.12 "IC50" "IMAP-FPT (Molecular Devices Trade Mark Technology) Endpoint Assay: The assay was run under the conditions identical to that for CDK1/cyclin B except 0.25 nM CDK1/cyclin B was replaced with 0.3 nM CDK2/cyclin A. A 384-well microtiter IMAP-FPT (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The same assay was used for IC50 determination of small molecule inhibitors. In general, the kinase reactions were carried out in 20 μL volumes in the reaction solution, which is composed of 2 μL compound (in 20% DMSO), 8 μL CDK1/cyclin B in the 1× Reaction Buffer (Molecular Devices, Cat. No. R8139), 10 μL substrate mixture of Tamra Histone-H1 peptide (Molecular Devices, Cat. No. R7384) and ATP (Amersham Pharmacia, Cat. No. 27-2056-01) in the 1× Reaction Buffer with 1 mM DTT freshly added. The final reaction mixture contains compound (inhibitor) with the concentration varying from 0.005-10 μM, 2% DMSO, 0.25 nM CDK1/cyclin B, 1" "CHEMBL" "=" "Tchem" "Homo sapiens" "ribociclib" 5218 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 7.409 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25941111" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209092s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ribociclib" 5218 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 8 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25941111" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209092s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "naldemedine" 5220 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 9.04 "Ki" "IUPHAR" "=" "ANTAGONIST" "Tclin" "Homo sapiens" "naldemedine" 5220 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.95 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208854s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "avelumab" 5221 "Programmed cell death 1 ligand 1" "CD molecules" "Q9NZQ7" "CD274" "PD1L1_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761049s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "niraparib" 5222 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 5.29 "IC50" "Inhibition of recombinant human TNKS2 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "niraparib" 5222 "Tankyrase-1" "Enzyme" "O95271" "TNKS" "TNKS1_HUMAN" 6.24 "IC50" "Inhibition of human TANK1 C-terminal domain by trichloroacetic acid precipitation assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 3" "Enzyme" "Q9Y6F1" "PARP3" "PARP3_HUMAN" 5.89 "IC50" "Inhibition of human PARP3 by trichloroacetic acid precipitation assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 4" "Enzyme" "Q9UKK3" "PARP4" "PARP4_HUMAN" 6.48 "IC50" "Inhibition of human v-PARP catalytic domain by trichloroacetic acid precipitation assay" "CHEMBL" "=" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 10" "Enzyme" "Q53GL7" "PARP10" "PAR10_HUMAN" 5.72 "IC50" "Inhibition of full length recombinant human His6-tagged PARP10 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 12" "Enzyme" "Q9H0J9" "PARP12" "PAR12_HUMAN" 7.1 "IC50" "Inhibition of recombinant human His6-tagged PARP12 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 14" "Enzyme" "Q460N5" "PARP14" "PAR14_HUMAN" 5.76 "IC50" "Inhibition of recombinant human His6-tagged PARP14 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 15" "Enzyme" "Q460N3" "PARP15" "PAR15_HUMAN" 4.54 "IC50" "Inhibition of recombinant human His6-tagged PARP15 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylated NAD+ addition by chemiluminescence assay" "CHEMBL" "=" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 8.68 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208447lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "niraparib" 5222 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.42 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208447lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ocrelizumab" 5223 "B-lymphocyte antigen CD20" "Surface antigen" "P11836" "MS4A1" "CD20_HUMAN" 9.08 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761053lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "dupilumab" 5224 "Interleukin-4 receptor subunit alpha" "Membrane receptor" "P24394" "IL4R" "IL4RA_HUMAN" 11.06 "IC50" "Value derived from an ELISA-based solution competition assay." "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761055lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "deutetrabenazine" 5226 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208082s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "valbenazine" 5227 "Synaptic vesicular amine transporter" "Transporter" "Q01827" "Slc18a2" "VMAT2_RAT" 6.73 "Ki" "Displacement binding assay using rat brain homogenate." "IUPHAR" "=" "INHIBITOR" "Rattus norvegicus" "valbenazine" 5227 "Synaptic vesicular amine transporter" "Transporter" "Q05940" "SLC18A2" "VMAT2_HUMAN" 8.523 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209241lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209241lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "forodesine" 5229 "Purine nucleoside phosphorylase" "Enzyme" "Q8T9Z7" "PNP" "Q8T9Z7_PLAFA" 9.07 "Ki" "Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry" "CHEMBL" "=" "Plasmodium falciparum" "forodesine" 5229 "Purine nucleoside phosphorylase" "Enzyme" "P55859" "PNP" "PNPH_BOVIN" 10.64 "Ki" "Inhibitory activity of compound against bovine purine nucleoside phosphorylase (PNP)" "CHEMBL" "=" "Bos taurus" "forodesine" 5229 "Purine nucleoside phosphorylase" "Enzyme" "P00491" "PNP" "PNPH_HUMAN" 10.143 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/9628722" "https://pubmed.ncbi.nlm.nih.gov/17897085" "INHIBITOR" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 7.92 "Kd" "Binding constant for JAK3(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 6.96 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.1 "Kd" "Binding constant for ABL1(T315I)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.11 "Kd" "Binding constant for KIT(D816V) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.06 "Kd" "Binding constant for EGFR(L858R,T790M) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.92 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.55 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.02 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.68 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.7 "Kd" "Binding constant for RET(V804M) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 6.35 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.6 "IC50" "Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide as substrate after 120 mins by Kinase-Glo assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 6.17 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.85 "IC50" "Inhibition of human FMS expressed in growth factor dependent mouse FDC-P1 cells assessed as inhibition of FMS-mediated cell proliferation in presence human CSF1 after 48 hrs by resazurin dye reduction assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 6.75 "Kd" "Binding affinity to PDGFRA" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 6.13 "Kd" "Binding constant for RPS6KA3(Kin.Dom.1 - N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 6.05 "Kd" "Binding affinity to PHKG2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase pim-1" "Kinase" "P11309" "PIM1" "PIM1_HUMAN" 6.25 "Kd" "Binding constant for PIM1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.66 "Kd" "Binding affinity to MYLK" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 5.75 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.7 "Kd" "Binding constant for full-length CAMK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.36 "Kd" "Binding constant for full-length JNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 5.77 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 5.11 "Kd" "Binding affinity to ROCK1" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.14 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 6.17 "Kd" "Binding affinity to JH1 catalytic domain JAK1" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 5.51 "Kd" "Binding affinity to ERBB4" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.44 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 6.05 "Kd" "Binding constant for full-length DAPK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 6.42 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Protein kinase C delta type" "Kinase" "Q05655" "PRKCD" "KPCD_HUMAN" 6.5 "Kd" "Binding constant for PRKCD kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "cAMP-dependent protein kinase catalytic subunit beta" "Kinase" "P22694" "PRKACB" "KAPCB_HUMAN" 6.62 "Kd" "Binding constant for full-length PKAC-beta" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.03 "Kd" "Binding constant for JAK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 5.64 "Kd" "Binding affinity to ROCK2" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Protein kinase C alpha type" "Kinase" "P17252" "PRKCA" "KPCA_HUMAN" 6.14 "Kd" "Binding affinity to PKAC-alpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 7.06 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 7.44 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.06 "Kd" "Binding constant for full-length CSK" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.72 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 6.85 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.32 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 7 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 6.25 "Kd" "Binding constant for MET(Y1235D) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 5.38 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 6.62 "Kd" "Binding affinity to RPS6KA5(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 6.75 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 6.68 "Kd" "Binding constant for CAMK2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Protein kinase C eta type" "Kinase" "P24723" "PRKCH" "KPCL_HUMAN" 6.54 "Kd" "Binding constant for PRKCH kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 5.8 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 6.72 "Kd" "Binding affinity to PHKG1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 7.7 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.33 "Kd" "Binding constant for full-length DRAK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 6.23 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 5.92 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 6.27 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 7.18 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.77 "Kd" "Binding constant for full-length AURKC" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 6.55 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 6.46 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 5.62 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 8.03 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Protein kinase C theta type" "Kinase" "Q04759" "PRKCQ" "KPCT_HUMAN" 6.04 "Kd" "Binding constant for PRKCQ kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 5.72 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.8 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 6.14 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 7.1 "IC50" "Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptide as substrate after 90 mins by Kinase-Glo assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.57 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "RAC-alpha serine/threonine-protein kinase" "Kinase" "P31749" "AKT1" "AKT1_HUMAN" 6.02 "Kd" "Binding constant for AKT1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 6.66 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase pim-2" "Kinase" "Q9P1W9" "PIM2" "PIM2_HUMAN" 5.51 "Kd" "Binding constant for PIM2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.62 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 6.46 "Kd" "Binding constant for full-length CLK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 6.07 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity protein kinase CLK3" "Kinase" "P49761" "CLK3" "CLK3_HUMAN" 5.44 "Kd" "Binding constant for CLK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 5.96 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6.42 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Glycogen synthase kinase-3 beta" "Kinase" "P49841" "GSK3B" "GSK3B_HUMAN" 5.75 "Kd" "Binding constant for full-length GSK3B" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.17 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 7.77 "Kd" "Binding affinity to MST1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 6.92 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 6.62 "Kd" "Binding constant for RPS6KA5(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.66 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 6.39 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.02 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 5.3 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 7.14 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 7.68 "Kd" "Binding constant for full-length MARK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 6.89 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 5.75 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 5.14 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.32 "Kd" "Binding constant for full-length TSSK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Inhibitor of nuclear factor kappa-B kinase subunit beta" "Kinase" "O14920" "IKBKB" "IKKB_HUMAN" 5.2 "Kd" "Binding constant for IKK-beta kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "3-phosphoinositide-dependent protein kinase 1" "Kinase" "O15530" "PDPK1" "PDPK1_HUMAN" 6.96 "Kd" "Binding affinity to PDPK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.59 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Glycogen synthase kinase-3 alpha" "Kinase" "P49840" "GSK3A" "GSK3A_HUMAN" 5.6 "Kd" "Binding constant for full-length GSK3A" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.21 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.51 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 7.06 "Kd" "Inhibition of SKY (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 5.89 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase N2" "Kinase" "Q16513" "PKN2" "PKN2_HUMAN" 7.82 "Kd" "Binding constant for PKN2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "RAC-beta serine/threonine-protein kinase" "Kinase" "P31751" "AKT2" "AKT2_HUMAN" 6.11 "Kd" "Binding constant for AKT2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.4 "Kd" "Binding affinity to MST2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 5.82 "Kd" "Binding constant for RPS6KA6(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 7.2 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 7.08 "Kd" "Binding constant for full-length TNK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.6 "Kd" "Binding constant for TYK2(Kin.Dom.2/JH1 - catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 5.89 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 5.96 "Kd" "Binding constant for PIK3CA(H1047L) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase PAK 3" "Kinase" "O75914" "PAK3" "PAK3_HUMAN" 6.75 "Kd" "Binding constant for full-length PAK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 6.51 "Kd" "Binding constant for full-length PIP5K1A" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 6.57 "Kd" "Binding constant for full-length PIP5K2B" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Myosin light chain kinase family member 4" "Kinase" "Q86YV6" "MYLK4" "MYLK4_HUMAN" 6.19 "Kd" "Binding constant for SgK085 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.34 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 5.75 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 6.18 "Kd" "Binding constant for full-length PTK2B" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 5.92 "Kd" "Binding constant for full-length RIOK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.85 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 5.77 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 6.6 "Kd" "Binding constant for full-length CSNK2A1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 6.48 "Kd" "Binding constant for full-length DYRK1B" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.8 "Kd" "Binding constant for full-length IKK-epsilon" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 6.46 "Kd" "Binding constant for full-length LKB1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.28 "Kd" "Binding constant for full-length MEK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 6.55 "Kd" "Binding constant for full-length MELK" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 7.41 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 6.75 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 6.38 "Kd" "Binding constant for full-length RIOK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 6.25 "Kd" "Binding constant for full-length SNF1LK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 7.38 "Kd" "Binding constant for full-length SRPK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 6.48 "Kd" "Binding constant for full-length SRPK2" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 6.72 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "5'-AMP-activated protein kinase catalytic subunit alpha-2" "Kinase" "P54646" "PRKAA2" "AAPK2_HUMAN" 6.34 "Kd" "Binding constant for AMPK-alpha2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 5.42 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "RAC-gamma serine/threonine-protein kinase" "Kinase" "Q9Y243" "AKT3" "AKT3_HUMAN" 5.36 "Kd" "Binding constant for AKT3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase LATS1" "Kinase" "O95835" "LATS1" "LATS1_HUMAN" 5.96 "Kd" "Binding constant for LATS1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 5.66 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.52 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.68 "Kd" "Binding constant for MAP4K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 7.39 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase pim-3" "Kinase" "Q86V86" "PIM3" "PIM3_HUMAN" 6.25 "Kd" "Binding constant for PIM3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "cAMP-dependent protein kinase catalytic subunit alpha" "Kinase" "P17612" "PRKACA" "KAPCA_HUMAN" 6.14 "Kd" "Binding constant for PKAC-alpha kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 6.92 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 7.21 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.3 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase BRSK1" "Kinase" "Q8TDC3" "BRSK1" "BRSK1_HUMAN" 5.92 "Kd" "Binding constant for BRSK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.19 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase MARK1" "Kinase" "Q9P0L2" "MARK1" "MARK1_HUMAN" 6.77 "Kd" "Binding constant for MARK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "MAP/microtubule affinity-regulating kinase 4" "Kinase" "Q96L34" "MARK4" "MARK4_HUMAN" 6.43 "Kd" "Binding constant for MARK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5.32 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity mitogen-activated protein kinase kinase 6" "Kinase" "P52564" "MAP2K6" "MP2K6_HUMAN" 5.19 "Kd" "Binding constant for MEK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 5.54 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 5.14 "Kd" "Binding constant for CDK11 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 7.82 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 6.1 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 7.77 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 5.33 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 5.7 "Kd" "Binding affinity to PAK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 5.68 "Kd" "Binding affinity to PAK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase BRSK2" "Kinase" "Q8IWQ3" "BRSK2" "BRSK2_HUMAN" 6.19 "Kd" "Binding constant for full-length BRSK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 6.8 "Kd" "Binding constant for SNF1LK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tubulin alpha-1A chain" "Structural" "P68370" "Tuba1a" "TBA1A_RAT" 5.51 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Rattus norvegicus" "midostaurin" 5231 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 5.2 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 5.5 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "cGMP-dependent protein kinase 2" "Kinase" "Q13237" "PRKG2" "KGP2_HUMAN" 7.13 "Kd" "Binding constant for PRKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.16 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 6.37 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "midostaurin" 5231 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.59 "Kd" "Binding affinity to RPS6KA4(Kin.Dom.1-N-terminal)" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 6.59 "Kd" "Binding constant for RPS6KA4(Kin.Dom.1 - C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.6 "Kd" "Binding affinity to MAP4K2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 6.77 "Kd" "Binding affinity to MINK" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 8.03 "Kd" "Binding affinity to TBK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual specificity tyrosine-phosphorylation-regulated kinase 1A" "Kinase" "Q13627" "DYRK1A" "DYR1A_HUMAN" 7 "Kd" "Binding affinity to DYRK1A" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.51 "Kd" "Binding affinity to EPHB6" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 5.64 "Kd" "Binding affinity to ERN1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Rhodopsin kinase" "Kinase" "Q15835" "GRK1" "RK_HUMAN" 7.07 "Kd" "Binding affinity to GRK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 6.96 "Kd" "Binding affinity to GRK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 7.32 "Kd" "Binding affinity to GRK7" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 5.51 "Kd" "Binding affinity to HIPK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 5.64 "Kd" "Binding affinity to HIPK3" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.02 "Kd" "Binding affinity to HIPK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Hormonally up-regulated neu tumor-associated kinase" "Kinase" "P57058" "HUNK" "HUNK_HUMAN" 6.62 "Kd" "Binding affinity to HUNK" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 5.23 "Kd" "Binding constant for ICK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Inhibitor of nuclear factor kappa-B kinase subunit alpha" "Kinase" "O15111" "CHUK" "IKKA_HUMAN" 5.42 "Kd" "Binding affinity to IKK-alpha" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 5.55 "Kd" "Binding affinity to LZK" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.85 "Kd" "Binding affinity to MAP3K2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.68 "Kd" "Binding affinity to MAP3K3" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 6.72 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "U4/U6 small nuclear ribonucleoprotein Prp4" "Nuclear other" "O43172" "PRPF4" "PRP4_HUMAN" 7.26 "Kd" "Binding affinity to PRP4" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase RIO2" "Kinase" "Q9BVS4" "RIOK2" "RIOK2_HUMAN" 7.01 "Kd" "Binding affinity to RIOK2" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 7.1 "Kd" "Binding affinity to SRPK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 6.89 "Kd" "Binding affinity to TAK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 5.89 "Kd" "Binding affinity to ULK3" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.82 "Kd" "Binding affinity to YSK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Tankyrase-2" "Enzyme" "Q9H2K2" "TNKS2" "TNKS2_HUMAN" 6.92 "Kd" "Binding affinity to TNK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta" "Kinase" "O00750" "PIK3C2B" "P3C2B_HUMAN" 5.85 "Kd" "Binding affinity to PIK3C2B" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit gamma" "Kinase" "O75747" "PIK3C2G" "P3C2G_HUMAN" 6.24 "Kd" "Binding affinity to PIK3C2G" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 7.01 "Kd" "Binding affinity to QSK" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase 32A" "Kinase" "Q8WU08" "STK32A" "ST32A_HUMAN" 5.62 "Kd" "Binding constant for YANK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 7.26 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 5.85 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 5.64 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.75 "Kd" "Binding constant for LRRK2(G2019S) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 5.33 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "midostaurin" 5231 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 6.02 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "Plasmodium falciparum" "midostaurin" 5231 "cGMP-dependent protein kinase 1" "Kinase" "Q13976" "PRKG1" "KGP1_HUMAN" 6.6 "Kd" "Binding constant for PRKG1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "cAMP-dependent protein kinase catalytic subunit PRKX" "Kinase" "P51817" "PRKX" "PRKX_HUMAN" 6.02 "Kd" "Binding constant for full-length PRKX" "CHEMBL" "=" "Homo sapiens" "midostaurin" 5231 "Tyrosine-protein kinase receptor TYRO3" "Kinase" "Q06418" "TYRO3" "TYRO3_HUMAN" 7.06 "Kd" "Inhibition of SKY (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "midostaurin" 5231 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.96 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/207997Orig1Orig2s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "abaloparatide" 5232 "Parathyroid hormone/parathyroid hormone-related peptide receptor" "GPCR" "Q03431" "PTH1R" "PTH1R_HUMAN" 9.7 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26562265" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208743lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "brigatinib" 5233 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.174 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/27780853" "INHIBITOR" "Tclin" "Homo sapiens" "brigatinib" 5233 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.678 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/27780853" "INHIBITOR" "Tclin" "Homo sapiens" "brigatinib" 5233 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 7.137 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/27780853" "INHIBITOR" "Tclin" "Homo sapiens" "brigatinib" 5233 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.796 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/27780853" "INHIBITOR" "Tclin" "Homo sapiens" "brigatinib" 5233 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 8.721 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/27780853" "INHIBITOR" "Tclin" "Homo sapiens" "brigatinib" 5233 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 9.222 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27780853" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208772lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "durvalumab" 5234 "Programmed cell death 1 ligand 1" "CD molecules" "Q9NZQ7" "CD274" "PD1L1_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761069s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "cenegermin" 5235 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004209/WC500232105.pdf" "AGONIST" "Tclin" "Homo sapiens" "cenegermin" 5235 "Tumor necrosis factor receptor superfamily member 16" "Membrane receptor" "P08138" "NGFR" "TNR16_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004209/WC500232105.pdf" "AGONIST" "Tclin" "Homo sapiens" "sarilumab" 5237 "Interleukin-6 receptor" "Membrane receptor" "P08887|P40189" "IL6R|IL6ST" "IL6RA_HUMAN|IL6RB_HUMAN" 11.1 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761037s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "evogliptin" 5239 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.1 "IC50" "Inhibition of human ERG by patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "evogliptin" 5239 "Dipeptidyl peptidase 4" "Enzyme" "P27487" "DPP4" "DPP4_HUMAN" 9.046 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21570283" "https://pubmed.ncbi.nlm.nih.gov/21093089" "INHIBITOR" "Tclin" "Homo sapiens" "polmacoxib" 5240 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 8.52 "IC50" "Inhibition of COX-1 in LPS-induced mouse peritoneal macrophages" "CHEMBL" "=" "Mus musculus" "polmacoxib" 5240 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 8.52 "IC50" "Inhibition of COX-1 in LPS-induced mouse peritoneal macrophages" "CHEMBL" "=" "Mus musculus" "polmacoxib" 5240 "Prostaglandin G/H synthase 1" "Enzyme" "P23219" "PTGS1" "PGH1_HUMAN" 6.081 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/14761182" "INHIBITOR" "Tclin" "Homo sapiens" "polmacoxib" 5240 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 8.081 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/14761182" "https://pubmed.ncbi.nlm.nih.gov/22278334" "INHIBITOR" "Tclin" "Homo sapiens" "betrixaban" 5241 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.75 "Ki" "Binding affinity to human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "betrixaban" 5241 "Prothrombin" "Enzyme" "P00734" "F2" "THRB_HUMAN" 4.75 "IC50" "Inhibition of human thrombin using acromogenic substrate S-2238 preincubated for 30 mins before substrate addition measured after 20 mins by spectrophotometry" "CHEMBL" "=" "Tclin" "Homo sapiens" "betrixaban" 5241 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 8.824 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/19297154" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208383s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "voxilaprevir" 5242 "Genome polyprotein" "Polyprotein" "P26663" "POLG_HCVBK" 10.42 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 1b (isolate BK)" "voxilaprevir" 5242 "Genome polyprotein" "Polyprotein" "Q81495" "POLG_HCVK3" 10.18 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209195s000lbl.pdf" "INHIBITOR" "Hepatitis C virus genotype 3a (isolate k3a) (HCV)" "pibrentasvir" 5244 "Nonstructural protein 5A" "Unclassified" "Q5L478" "NS5A" "Q5L478_9HEPC" 10.19 "EC50" "Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus" "pibrentasvir" 5244 "Genome polyprotein [Cleaved into: Core protein p21" "Unclassified" "Q9WMX2" "" "POLG_HCVCO" 9.7 "EC50" "Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma by luciferase reporter gene assay" "CHEMBL" "=" "Hepatitis C virus genotype 1b" "corifollitropin alfa" 5245 "Follicle-stimulating hormone receptor" "GPCR" "P23945" "FSHR" "FSHR_HUMAN" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/1446593" "AGONIST" "Tclin" "Homo sapiens" "guselkumab" 5246 "Interleukin-23" "Cytokine" "P29460|Q9NPF7" "IL12B|IL23A" "IL12B_HUMAN|IL23A_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761061s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "inotuzumab ozogamicin" 5247 "B-cell receptor CD22" "Membrane receptor" "P20273" "CD22" "CD22_HUMAN" 9.7 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004119/WC500231261.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "pemafibrate" 5248 "Peroxisome proliferator-activated receptor gamma" "Nuclear hormone receptor" "P37231" "PPARG" "PPARG_HUMAN" 5.959 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17553678" "AGONIST" "Tclin" "Homo sapiens" "pemafibrate" 5248 "Peroxisome proliferator-activated receptor delta" "Nuclear hormone receptor" "Q03181" "PPARD" "PPARD_HUMAN" 5.801 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17553678" "AGONIST" "Tchem" "Homo sapiens" "pemafibrate" 5248 "Peroxisome proliferator-activated receptor alpha" "Nuclear hormone receptor" "Q07869" "PPARA" "PPARA_HUMAN" 9 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/17553678" "https://pubmed.ncbi.nlm.nih.gov/17553678" "AGONIST" "Tclin" "Homo sapiens" "imrecoxib" 5250 "Prostaglandin G/H synthase 2" "Enzyme" "Q05769" "Ptgs2" "PGH2_MOUSE" 7.75 "IC50" "Inhibition of COX2 in mouse peritoneal macrophages" "CHEMBL" "=" "Mus musculus" "imrecoxib" 5250 "Prostaglandin G/H synthase 1" "Enzyme" "P22437" "Ptgs1" "PGH1_MOUSE" 6.94 "IC50" "Inhibition of COX1 in mouse peritoneal macrophages" "CHEMBL" "=" "Mus musculus" "imrecoxib" 5250 "Prostaglandin G/H synthase 2" "Enzyme" "P35354" "PTGS2" "PGH2_HUMAN" 7.824 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/15210067" "INHIBITOR" "Tclin" "Homo sapiens" "enasidenib" 5251 "Isocitrate dehydrogenase [NADP] cytoplasmic" "Enzyme" "O75874" "IDH1" "IDHC_HUMAN" 5.3 "IC50" "Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 cells assessed as reduction in NADPH consumption using alpha-ketoglutarate as substrate after 60 mins by Diaphorase/Resazurin dye based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "enasidenib" 5251 "Isocitrate dehydrogenase [NADP] cytoplasmic" "Enzyme" "O75874" "IDH1" "IDHC_HUMAN" 5.3 "IC50" "Inhibition of full length C-terminal His8 tagged IDH1 R132H mutant (1 to 414 residues) (unknown origin) homodimer expressed in Escherichia coli BE3 cells assessed as reduction in NADPH consumption using alpha-ketoglutarate as substrate after 60 mins by Diaphorase/Resazurin dye based fluorescence assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "enasidenib" 5251 "Isocitrate dehydrogenase [NADP], mitochondrial" "Enzyme" "P48735" "IDH2" "IDHP_HUMAN" 7 "IC50" "inhibition of 2HG production by the IDH2(R140Q) homodimer" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/28193778" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209606s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.7 "Kd" "Binding constant for JAK3(JH1domain-catalytic) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 5.08 "Kd" "Binding constant for MST1R kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.22 "Kd" "Binding constant for ABL1(Q252H)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.39 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.92 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.62 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.19 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.51 "Kd" "Binding constant for FLT3(D835Y) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.07 "IC50" "Inhibition of human VEGFR2 in presence of 1 uM ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.17 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.52 "Kd" "Binding constant for INSR kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 5.48 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 5.72 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 6.31 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 5.6 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.29 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 6.26 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.52 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.4 "Kd" "Binding constant for MET kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.09 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 6.6 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 5.39 "Kd" "Binding constant for RSK3(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 5.96 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 7.89 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 6.29 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 6.47 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 6.85 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.54 "Kd" "Binding constant for CSNK1E kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 5.72 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 5.28 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 9.19 "Kd" "Binding constant for MAP4K5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 7.41 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 6.6 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 5.25 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.64 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 4" "Kinase" "Q13043" "STK4" "STK4_HUMAN" 6.57 "Kd" "Binding constant for MST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 6.17 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 7.18 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 7" "Kinase" "O14733" "MAP2K7" "MP2K7_HUMAN" 6.28 "Kd" "Binding constant for MKK7 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.85 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.59 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 6.8 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.72 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.29 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase D1" "Kinase" "Q15139" "PRKD1" "KPCD1_HUMAN" 6.09 "Kd" "Binding constant for PRKD1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 3" "Kinase" "Q13188" "STK3" "STK3_HUMAN" 7.24 "Kd" "Binding constant for MST2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 6.85 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 5.24 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 5.39 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 7.92 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 5.82 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 5.1 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Casein kinase I isoform gamma-2" "Kinase" "P78368" "CSNK1G2" "KC1G2_HUMAN" 5.18 "Kd" "Binding constant for CSNK1G2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Casein kinase I isoform gamma-3" "Kinase" "Q9Y6M4" "CSNK1G3" "KC1G3_HUMAN" 5.11 "Kd" "Binding constant for CSNK1G3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6.41 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.32 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 5.8 "Kd" "Binding constant for MELK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 8.13 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 7.02 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 5.34 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 5.48 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 6.03 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 7.03 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase PAK 6" "Kinase" "Q9NQU5" "PAK6" "PAK6_HUMAN" 5.13 "Kd" "Binding constant for PAK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 5.82 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 8.11 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 7.07 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 6.48 "Kd" "Binding constant for MAP4K4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 6.4 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.27 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 5.34 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 5.24 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 24" "Kinase" "Q9Y6E0" "STK24" "STK24_HUMAN" 8.19 "Kd" "Binding constant for MST3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 6.68 "Kd" "Binding constant for PAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 7.1 "Kd" "Binding constant for PAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 6.66 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase D2" "Kinase" "Q9BZL6" "PRKD2" "KPCD2_HUMAN" 5.96 "Kd" "Binding constant for PRKD2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 5.62 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.23 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "neratinib" 5252 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 5.13 "Kd" "Binding constant for RSK1(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 6.66 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 7.54 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase Chk2" "Kinase" "O96017" "CHEK2" "CHK2_HUMAN" 6.07 "Kd" "Binding constant for CHEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.55 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 5.82 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 5.64 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.13 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.35 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 6.89 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Microtubule-associated serine/threonine-protein kinase 1" "Kinase" "Q9Y2H9" "MAST1" "MAST1_HUMAN" 5.26 "Kd" "Binding constant for MAST1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.38 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.8 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 35" "Kinase" "Q8TDR2" "STK35" "STK35_HUMAN" 5.35 "Kd" "Binding constant for STK35 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Receptor tyrosine-protein kinase erbB-3" "Kinase" "P21860" "ERBB3" "ERBB3_HUMAN" 8.11 "Kd" "Binding constant for ERBB3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Wee1-like protein kinase 2" "Kinase" "P0C1S8" "WEE2" "WEE2_HUMAN" 5.89 "Kd" "Binding constant for WEE2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase Nek3" "Kinase" "P51956" "NEK3" "NEK3_HUMAN" 5.62 "Kd" "Binding constant for NEK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 6.43 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 7.2 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "neratinib" 5252 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 5.19 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "neratinib" 5252 "Serine/threonine-protein kinase 32B" "Kinase" "Q9NY57" "STK32B" "ST32B_HUMAN" 5.19 "Kd" "Binding constant for YANK2 kinase domain" "CHEMBL" "=" "Homo sapiens" "neratinib" 5252 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 8.62 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22037378" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208051s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "neratinib" 5252 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 7.036 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/15715478" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208051s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "neratinib" 5252 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 7.229 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/15715478" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208051s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "copanlisib" 5256 "Serine/threonine-protein kinase mTOR" "Kinase" "P42345" "MTOR" "MTOR_HUMAN" 7.35 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "P42338" "PIK3CB" "PK3CB_HUMAN" 8.432 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24170767" "INHIBITOR" "Tchem" "Homo sapiens" "copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 8.194 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24170767" "INHIBITOR" "Tclin" "Homo sapiens" "copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 9.155 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24170767" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209936s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "copanlisib" 5256 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 9.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24170767" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209936s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "butylphthalide" 5257 "Potassium channel subfamily K member 2" "Ion channel" "O95069" "KCNK2" "KCNK2_HUMAN" 7.222 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21293470" "BLOCKER" "Tclin" "Homo sapiens" "tivozanib" 5258 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 8.65 "IC50" "Inhibition of recombinant PDGFRalpha (unknown origin) by cell-free assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "tivozanib" 5258 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 7.76 "IC50" "Inhibition of recombinant EphB2 (unknown origin) by cell-free assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "tivozanib" 5258 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.764 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/16982756" "INHIBITOR" "Tclin" "Homo sapiens" "tivozanib" 5258 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.788 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/16982756" "INHIBITOR" "Tclin" "Homo sapiens" "tivozanib" 5258 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.375 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/16982756" "INHIBITOR" "Tclin" "Homo sapiens" "tivozanib" 5258 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.866 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/16982756" "INHIBITOR" "Tclin" "Homo sapiens" "tivozanib" 5258 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.524 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/16982756" "INHIBITOR" "Tclin" "Homo sapiens" "tivozanib" 5258 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 9.678 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/16982756" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004131/WC500239033.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tivozanib" 5258 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 9.796 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/16982756" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004131/WC500239033.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tivozanib" 5258 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 9.62 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/16982756" "http://www.ema.europa.eu/docs/en_GB/document_library/EPAR_-_Product_Information/human/004131/WC500239033.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "abemaciclib" 5259 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.96 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "abemaciclib" 5259 "Cyclin-dependent kinase 1" "Kinase" "P06493" "CDK1" "CDK1_HUMAN" 5.82 "IC50" "Inhibition of CDK1 (unknown origin) using U-light as substrate preincubated for 1 hr followed by EDTA addition measured after 1 hr by LANCE Ultra kinase assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "abemaciclib" 5259 "Cyclin-dependent kinase 9" "Kinase" "P50750" "CDK9" "CDK9_HUMAN" 7.24 "IC50" "Inhibition of CDK9 (unknown origin)" "CHEMBL" "=" "Homo sapiens" "abemaciclib" 5259 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.52 "IC50" "Inhibition of CDK7 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "abemaciclib" 5259 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.52 "IC50" "Inhibition of CDK7 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "abemaciclib" 5259 "Cyclin-dependent kinase 9" "Kinase" "P50750" "CDK9" "CDK9_HUMAN" 7.24 "IC50" "Inhibition of CDK9 (unknown origin)" "CHEMBL" "=" "Tchem" "Homo sapiens" "abemaciclib" 5259 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 8.62 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24919854" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208716Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "abemaciclib" 5259 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 9.222 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24919854" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208716Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "acalabrutinib" 5260 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.13 "Kd" "Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "acalabrutinib" 5260 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6 "EC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "acalabrutinib" 5260 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.13 "Kd" "Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "acalabrutinib" 5260 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.796 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tclin" "Homo sapiens" "acalabrutinib" 5260 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 7.337 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tchem" "Homo sapiens" "acalabrutinib" 5260 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 7.032 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tchem" "Homo sapiens" "acalabrutinib" 5260 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 6.434 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/26641137" "INHIBITOR" "Tchem" "Homo sapiens" "acalabrutinib" 5260 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 8.292 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26641137" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/210259s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "latanoprostene bunod" 5261 "Prostaglandin F2-alpha receptor" "GPCR" "P37289" "PTGFR" "PF2R_BOVIN" 7.01 "Ki" "Displacement of [3H]PGF2 alpha from FP receptor in bovine corpus luteum membrane" "CHEMBL" "=" "Bos taurus" "latanoprostene bunod" 5261 "Prostaglandin F2-alpha receptor" "GPCR" "P43088" "PTGFR" "PF2R_HUMAN" 8.6 "Ki" "Value based on agonist activity of latanoprost." "IUPHAR" "~" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/21396362" "AGONIST" "Tclin" "Homo sapiens" "letermovir" 5262 "DNA terminase complex" "Enzyme" "F5HC79|F5HGI9|F5HCU8" "TRM1|TRM2|TRM3" "TRM1_HCMVM|TRM2_HCMVM|TRM3_HCMVM" 8.678 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209939Orig1s000,209940Orig1s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209939Orig1s000,209940Orig1s000lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin" "Human cytomegalovirus (strain Merlin)" "benralizumab" 5263 "Interleukin-5 receptor subunit alpha" "Membrane receptor" "Q01344" "IL5RA" "IL5RA_HUMAN" 10.959 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761070s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/761070s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "semaglutide" 5267 "Glucagon-like peptide 1 receptor" "GPCR" "P43220" "GLP1R" "GLP1R_HUMAN" 9.42 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26308095" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209637lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "emicizumab" 5268 "Coagulation factor X" "Enzyme" "P00742" "F10" "FA10_HUMAN" 5.73 "Kd" "Determined by surface plasmon resonance analysis." "IUPHAR" "=" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "emicizumab" 5268 "Coagulation factor IX" "Enzyme" "P00740" "F9" "FA9_HUMAN" 5.8 "Kd" "Determined by surface plasmon resonance analysis." "IUPHAR" "=" "ANTIBODY BINDING" "Tchem" "Homo sapiens" "netarsudil" 5269 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 7.49 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "netarsudil" 5269 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 8.377 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27072905" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/208254lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ertugliflozin" 5270 "Sodium/glucose cotransporter 2" "Transporter" "P53792" "Slc5a2" "SC5A2_RAT" 8.94 "IC50" "Inhibition of rat SGLT2" "CHEMBL" "=" "Rattus norvegicus" "ertugliflozin" 5270 "Low affinity sodium-glucose cotransporter" "Transporter" "Q9NY91" "SLC5A4" "SC5A4_HUMAN" 9.06 "IC50" "Inhibition of human SGLT2 expressed in CHO cells assessed as inhibition of methyl alpha-D-glucopyranoside uptake after 1 hr" "CHEMBL" "=" "Tchem" "Homo sapiens" "ertugliflozin" 5270 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 5.708 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/21449606" "INHIBITOR" "Tclin" "Homo sapiens" "ertugliflozin" 5270 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 9.057 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/21449606" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209803s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "macimorelin" 5271 "Growth hormone secretagogue receptor type 1" "GPCR" "Q92847" "GHSR" "GHSR_HUMAN" 7.81 "IC50" "In a radioligand displacement assay using 125I-labeled ghrelin as the probe, and human pituitary gland samples." "IUPHAR" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/12240910" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/205598s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "angiotensin II" 5272 "Type-2 angiotensin II receptor" "GPCR" "P50052" "AGTR2" "AGTR2_HUMAN" 10.2 "Kd" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "angiotensin II" 5272 "Type-1B angiotensin II receptor" "GPCR" "P29089" "Agtr1b" "AGTRB_RAT" 9.51 "Ki" "In vitro binding affinity at rat liver Angiotensin II receptor, type 1 was determined based on displacement of [125I]-Ang II" "CHEMBL" "=" "Rattus norvegicus" "angiotensin II" 5272 "Type-1 angiotensin II receptor" "GPCR" "P25104" "AGTR1" "AGTR1_BOVIN" 8.24 "Kd" "Dissociation constant for [125 I] Ang binding to type 1 Angiotensin II receptor of bovine adrenocortical membranes" "CHEMBL" "=" "Bos taurus" "angiotensin II" 5272 "Type-1A angiotensin II receptor" "GPCR" "P25095" "Agtr1" "AGTRA_RAT" 9.4 "IC50" "Displacement of [125I]Sar1,Ile8-Ang2 from AT1 receptor in Wistar rat hepatic membrane" "CHEMBL" "=" "Rattus norvegicus" "angiotensin II" 5272 "Type-1 angiotensin II receptor" "GPCR" "P30556" "AGTR1" "AGTR1_HUMAN" 9.3 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209360s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "bictegravir" 5274 "Integrase" "Enzyme" "Q76353" "Q76353_9HIV1" 8.12 "IC50" "Inhibition of HIV integrase strand transfer activity" "CHEMBL" "=" "Human immunodeficiency virus 1" "bictegravir" 5274 "Integrase" "Unclassified" "Q76353" "Q76353_9HIV1" 8.12 "IC50" "Inhibition of HIV integrase strand transfer activity" "CHEMBL" "=" "Human immunodeficiency virus 1" "bictegravir" 5274 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 8.125 "IC50" "HIV-1 integrase catalyzed strand transfer" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27645238" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/209360s000lbl.pdf" "INHIBITOR" "Human immunodeficiency virus 1" "lutetium (177Lu) oxodotreotide" 5275 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208700s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "tezacaftor" 5276 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 6.57 "EC50" "Correction activity at CFTR F508 deletion mutant (unknown origin) expressed in mouse NIH/3T3 cells assessed as increase in cAMP/genistein-dependent current amplitude incubated for 10 mins at 37 degC by patch clamp method" "CHEMBL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210491lbl.pdf" "PHARMACOLOGICAL CHAPERONE" "Tclin" "Homo sapiens" "elobixibat" 5277 "Ileal sodium/bile acid cotransporter" "Transporter" "Q12908" "SLC10A2" "NTCP2_HUMAN" 9.276 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "http://dx.doi.org/10.1016/S0016-5085(10)61017-7" "http://dx.doi.org/10.1016/S0016-5085(10)61017-7" "INHIBITOR" "Tclin" "Homo sapiens" "apalutamide" 5278 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.03 "Ki" "Binding affinity measured in competition with [3H]mibolerone using wtAR isolated from rat ventral prostates." "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "apalutamide" 5278 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.796 "IC50" "equilibrium-binding affinity of ARN-509 for AR measured in competition with 16b-[18F]fluoro-5a-DHT" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22266222" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210951s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ibalizumab" 5279 "T-cell surface glycoprotein CD4" "Membrane receptor" "P01730" "CD4" "CD4_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761065s001lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "fostamatinib" 5280 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.3 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "fostamatinib" 5280 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.16 "Kd" "Inhibition of vascular endothelial growth factor receptor 2" "CHEMBL" "=" "Tclin" "Homo sapiens" "fostamatinib" 5280 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.3 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "fostamatinib" 5280 "Adenosine receptor A3" "GPCR" "P0DMS8" "ADORA3" "AA3R_HUMAN" 7.092 "IC50" "SCIENTIFIC LITERATURE" "=" "https://doi.org/10.1124/jpet.106.109058" "INHIBITOR" "Tchem" "Homo sapiens" "fostamatinib" 5280 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 7.387 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://doi.org/10.1124/jpet.106.109058" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/209299lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tildrakizumab" 5281 "Interleukin-23" "Cytokine" "P29460|Q9NPF7" "IL12B|IL23A" "IL12B_HUMAN|IL23A_HUMAN" 9.5 "Kd" "IUPHAR" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761067s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "burosumab" 5282 "Fibroblast growth factor 23" "Secreted" "Q9GZV9" "FGF23" "FGF23_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761068s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "fosnetupitant" 5283 "Substance-P receptor" "GPCR" "P25103" "TACR1" "NK1R_HUMAN" 9.022 "Ki" "displacement of [3H]-labelled substance P from cloned human receptor expressed in CHO cells" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/16332435" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210493s000lbl.pdf/drugsatfda_docs/label/2014/125477s007lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "erenumab" 5284 "Calcitonin-gene-related peptide receptor" "GPCR" "O60894|Q16602" "RAMP1|CALCRL" "RAMP1_HUMAN|CALRL_HUMAN" 10.699 "Ki" "SCIENTIFIC LITERATURE" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26559125" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761077s000lbl.pdf" "ANTIBODY BINDING" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "avatrombopag" 5285 "Thrombopoietin receptor" "Membrane receptor" "P40238" "MPL" "TPOR_HUMAN" 8.481 "EC50" "SCIENTIFIC LITERATURE" "-" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/19183407" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210238s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "moxidectin" 5286 "Glutamate-gated chloride channel" "Ion channel" "Q25634" "GluClX" "Q25634_ONCVO" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25651699" "INHIBITOR" "Onchocerca volvulus" "cannabidiol" 5288 "Cannabinoid receptor 1" "GPCR" "P21554" "CNR1" "CNR1_HUMAN" 5.62 "Ki" "Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "cannabidiol" 5288 "Cannabinoid receptor 2" "GPCR" "P34972" "CNR2" "CNR2_HUMAN" 5.54 "Ki" "Binding affinity to human CB2 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "cannabidiol" 5288 "N-arachidonyl glycine receptor" "GPCR" "Q14330" "GPR18" "GPR18_HUMAN" 4.29 "EC50" "IUPHAR" "=" "AGONIST" "Tbio" "Homo sapiens" "cannabidiol" 5288 "Cannabinoid receptor 1" "GPCR" "P20272" "Cnr1" "CNR1_RAT" 5.9 "Ki" "Binding affinity for Cannabinoid receptor 1 by the ability to displace radiolabeled CP-55940 from purified rat forebrain synaptosomes" "CHEMBL" "=" "Rattus norvegicus" "cannabidiol" 5288 "Cannabinoid receptor 2" "GPCR" "P47936" "Cnr2" "CNR2_MOUSE" 6.64 "Ki" "Binding affinity for Cannabinoid receptor 2 by the ability to displace radiolabeled CP-55940 from mouse spleen synaptosomes" "CHEMBL" "=" "Mus musculus" "cannabidiol" 5288 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 4.27 "IC50" "Inhibition of FAAH in rat brain membranes using [14C]-AEA as substrate measured after 30 mins by scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "cannabidiol" 5288 "Transient receptor potential cation channel subfamily V member 2" "Ion channel" "Q9WUD2" "Trpv2" "TRPV2_RAT" 5.43 "EC50" "IUPHAR" "=" "ACTIVATOR" "Rattus norvegicus" "cannabidiol" 5288 "Transient receptor potential cation channel subfamily V member 2" "Ion channel" "Q9Y5S1" "TRPV2" "TRPV2_HUMAN" 4.5 "EC50" "IUPHAR" "=" "ACTIVATOR" "Tchem" "Homo sapiens" "cannabidiol" 5288 "Fatty-acid amide hydrolase 1" "Enzyme" "P97612" "Faah" "FAAH1_RAT" 4.27 "IC50" "Inhibition of FAAH in rat brain membranes using [14C]-AEA as substrate measured after 30 mins by scintillation counting method" "CHEMBL" "=" "Rattus norvegicus" "cannabidiol" 5288 "Transient receptor potential cation channel subfamily V member 1" "Ion channel" "Q8NER1" "TRPV1" "TRPV1_HUMAN" "UNKNOWN" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23108553" "INHIBITOR" "Tclin" "Homo sapiens" "cannabidiol" 5288 "G-protein coupled receptor 55" "GPCR" "Q9Y2T6" "GPR55" "GPR55_HUMAN" 6.35 "EC50" "Binding affinity to GPR55" "CHEMBL" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23108553" "ANTAGONIST" "Tclin" "Homo sapiens" "encorafenib" 5289 "Mitogen-activated protein kinase 14" "Kinase" "Q16539" "MAPK14" "MK14_HUMAN" 5.66 "IC50" "Inhibition of IL1-beta-induced p38alpha phosphorylation in human A549 cells pre-incubated for 30 mins before IL1-beta stimulation and measured after 7 to 8 hrs post IL1-beta stimulation by Bright-Glo luciferase reporter gene assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "encorafenib" 5289 "RAF proto-oncogene serine/threonine-protein kinase" "Kinase" "P04049" "RAF1" "RAF1_HUMAN" 9.523 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "encorafenib" 5289 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 9.328 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210496lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "binimetinib" 5290 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210498lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "binimetinib" 5290 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.9 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210498lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tecovirimat" 5291 "Envelope protein F13" "Viral envelope protein" "P33815" "C17L" "F13_VAR67" 7.382 "EC50" "activity in cell culture assays" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208627s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208627s000lbl.pdf" "INHIBITOR" "Tclin" "Variola virus (isolate Human/India/Ind3/1967)" "ivosidenib" 5292 "Isocitrate dehydrogenase [NADP] cytoplasmic" "Enzyme" "O75874" "IDH1" "IDHC_HUMAN" 7.149 "IC50" "The enzyme and compound were preincubated for 1h" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29670690" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211192s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "elagolix" 5293 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 5.36 "Ki" "Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from rat GnRH receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "Rattus norvegicus" "elagolix" 5293 "Gonadotropin-releasing hormone receptor" "GPCR" "Q8SPZ1" "GNRHR" "GNRHR_MACMU" 8.48 "Ki" "Displacement of [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from monkey GnRH receptor expressed in CHO cells by liquid scintillation counting" "CHEMBL" "=" "Macaca mulatta" "elagolix" 5293 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 8.824 "IC50" "determined by competition for [125I-Tyr5,DLeu6,NMeLeu7,Pro9-NEt-]GnRH from human GnRH receptor" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/19006286" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210450s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "doravirine" 5295 "Reverse transcriptase" "Enzyme" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 7.72 "IC50" "Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(A)/oligo(dT)15 as template/primer after 1 hr by ELISA" "CHEMBL" "=" "Human immunodeficiency virus 1" "doravirine" 5295 "Reverse transcriptase" "Unclassified" "Q9WKE8" "reverse transcriptas" "Q9WKE8_9HIV1" 7.72 "IC50" "Inhibition of recombinant wild type HIV1 reverse transcriptase assessed as reduction in biotin-dUTP incorporation using poly(A)/oligo(dT)15 as template/primer after 1 hr by ELISA" "CHEMBL" "=" "Human immunodeficiency virus 1" "doravirine" 5295 "Reverse transcriptase/RNaseH" "Enzyme" "Q72547" "pol" "Q72547_9HIV1" 7.921 "EC50" "cellular activity; wild type " "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210806s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210806s000lbl.pdf" "INHIBITOR" "Human immunodeficiency virus 1" "duvelisib" 5296 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 5.8 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "duvelisib" 5296 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "P42338" "PIK3CB" "PK3CB_HUMAN" 7.07 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "duvelisib" 5296 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 10.638 "Kd" "Enzymatic assay at 3mM ATP (nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24211136" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211155s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "duvelisib" 5296 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 9.62 "Kd" "Enzymatic assay at 3mM ATP (nM)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24211136" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211155s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "dacomitinib" 5297 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.45 "IC50" "Irreversible inhibition of human recombinant GST-tagged JAK3 expressed in baculovirus infected Sf9 insect cells assessed as reduction in polyglutamic acid-tyrosine phosphorylation after 30 mins by ELISA" "CHEMBL" "=" "Tclin" "Homo sapiens" "dacomitinib" 5297 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 6.96 "IC50" "Inhibition of Src (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dacomitinib" 5297 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.03 "IC50" "Inhibition of LCK (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "dacomitinib" 5297 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 8.222 "IC50" "ELISA-Based erbB Kinase Assay with 20 uM [ATP]" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30506139" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211288s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "dacomitinib" 5297 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 7.34 "IC50" "ELISA-Based erbB Kinase Assay with 20 uM [ATP]" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30506139" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211288s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "dacomitinib" 5297 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.133 "IC50" "ELISA-Based erbB Kinase Assay with 20 uM [ATP]" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30506139" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211288s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "talazoparib tosylate" 5300 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 9.06 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26652717" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211651s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "talazoparib tosylate" 5300 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.921 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26652717" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211651s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "baloxavir marboxil" 5301 "Polymerase acidic protein" "Enzyme" "P03433" "PA" "PA_I34A1" 8.854 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210854s000lbl.pdf" "INHIBITOR" "Tclin" "Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)" "lorlatinib" 5302 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 7.28 "IC50" "Inhibition of FRK (unknown origin) by TR-FRET-based Z'-LYTE assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "lorlatinib" 5302 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 9.959 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26144315" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 9.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27401242" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 7.77 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 7.62 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 8.481 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 7.77 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 7.638 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 7.854 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 7.337 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 8.569 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "lorlatinib" 5302 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 8.222 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25733882" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210868s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "revefenacin" 5303 "Muscarinic acetylcholine receptor M1" "GPCR" "P11229" "CHRM1" "ACM1_HUMAN" 9.38 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "revefenacin" 5303 "Muscarinic acetylcholine receptor M2" "GPCR" "P08172" "CHRM2" "ACM2_HUMAN" 9.52 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "revefenacin" 5303 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" 9.75 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "revefenacin" 5303 "Muscarinic acetylcholine receptor M4" "GPCR" "P08173" "CHRM4" "ACM4_HUMAN" 9.26 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "revefenacin" 5303 "Muscarinic acetylcholine receptor M5" "GPCR" "P08912" "CHRM5" "ACM5_HUMAN" 8.2 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29736245" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210598s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "glasdegib" 5304 "Smoothened homolog" "GPCR" "P56726" "Smo" "SMO_MOUSE" 8.3 "IC50" "Inhibition of Smo in mouse C3H10T1/2 cells using human recombinant SHH assessed as effect on SMO/SHH transient transcriptional activation after 20 hrs by Gli-luciferase reporter assay" "CHEMBL" "=" "Mus musculus" "glasdegib" 5304 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 8.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24900436" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210656s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "larotrectinib" 5305 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 8.187 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/21138586" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210861s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "larotrectinib" 5305 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 8.092 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/21138586" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210861s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "larotrectinib" 5305 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 7.975 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/21138586" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210861s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "gilteritinib" 5306 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.47 "IC50" "Inhibition Assay: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition. In the absence of the test compound, the phosphorylation peptide peak without ATP addition and with ATP addition was assumed to be 100% inhibition and 0% inhibition, respectively." "CHEMBL" "=" "Tclin" "Homo sapiens" "gilteritinib" 5306 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 8.96 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "gilteritinib" 5306 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 8.82 "IC50" "Inhibition Assay: A recombinant retrovirus was created from expression plasmid FLAG-EML4-ALKv1/pMX-iresCD8 in which cDNA for EMLA-ALK fusion protein v1 was integrated, and injected into mouse lymphoid cell line BA/F3 cells. Using a magnetic bead reagent for cell separation and a purification column (anti-CD8 monoclonal antibody immobilized on magnetic beads and a MiniMACS purification column both are products of MilteDyi Biotec Inc.), cell surface CD8-expressing cells were purified to establish EML4-ALK fusion protein v1-expressing BA/F3 cells. From the cells, EML4-ALK fusion protein v1 was purified and subjected to kinase activity evaluation. EML4-ALK fusion protein v1 was investigated for its phosphorylation activity toward a peptide substrate by using a kinase activity detection kit (HTRF KinEASE-TK Cisbio Inc.). Test compounds were each added to a reaction solution containing the enzyme protein to give 8 final concentrations from 1000 nM to 0.3 nM, followed by addition of" "CHEMBL" "=" "Tclin" "Homo sapiens" "gilteritinib" 5306 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 9.1 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "gilteritinib" 5306 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 9.7 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "gilteritinib" 5306 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 8.52 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "gilteritinib" 5306 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 8.72 "IC50" "Inhibition Assay: A partial protein of only a kinase domain of ROS protein was purchased from Carna Biosciences Inc., Japan, and tests were conducted as in Test Example 5, except that the ATP concentration in the mixed solution of ATP and substrate peptide (Caliper) was 50 uM. Test Example 5: A partial protein of only a kinase domain of RET protein was purchased from Carna Biosciences Inc., Japan. The phosphorylation activity toward a peptide substrate was investigated using an EZ reader (Caliper). Test compounds were each mixed with a protein solution to give 8 final concentrations from 100 nM to 0.03 nM, followed by addition of a mixed liquid of ATP and substrate peptide (Caliper) and reaction for 30 minutes. The ATP concentration used was 100 µM. A reaction liquid which contained protein but no test compound (in which the solvent DMSO alone was added at 0.8% in place of the test compound) was prepared, followed by reaction in the same manner with or without ATP addition." "CHEMBL" "=" "Tclin" "Homo sapiens" "gilteritinib" 5306 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.301 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27908881" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211349s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "evocalcet" 5307 "Extracellular calcium-sensing receptor" "GPCR" "P41180" "CASR" "CASR_HUMAN" 7.032 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/29724589" "https://pubmed.ncbi.nlm.nih.gov/29724589" "AGONIST" "Tclin" "Homo sapiens" "caplacizumab" 5308 "von Willebrand factor" "Unclassified" "P04275" "VWF" "VWF_HUMAN" 8.509 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30298461" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "lanadelumab" 5309 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" 10.05 "IC50" "IUPHAR" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30267321" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761090s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "vibegron" 5311 "Beta-3 adrenergic receptor" "GPCR" "P26255" "Adrb3" "ADRB3_RAT" 7.07 "EC50" "Agonist activity at rat beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay" "CHEMBL" "=" "Rattus norvegicus" "vibegron" 5311 "Beta-3 adrenergic receptor" "GPCR" "O02662" "ADRB3" "ADRB3_CANLF" 7.96 "EC50" "Agonist activity at dog beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay" "CHEMBL" "=" "Canis lupus familiaris" "vibegron" 5311 "Beta-3 adrenergic receptor" "GPCR" "Q28524" "ADRB3" "ADRB3_MACMU" 9.24 "EC50" "Agonist activity at rhesus monkey beta3 adrenergic receptor expressed in CHO cells assessed as accumulation of cAMP after 30 mins by TR-FRET assay" "CHEMBL" "=" "Macaca mulatta" "vibegron" 5311 "Beta-3 adrenergic receptor" "GPCR" "P13945" "ADRB3" "ADRB3_HUMAN" 8.959 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/30411311" "https://pubmed.ncbi.nlm.nih.gov/30411311" "AGONIST" "Tclin" "Homo sapiens" "omidenepag isopropyl" 5312 "Prostaglandin E2 receptor EP2 subtype" "GPCR" "P43116" "PTGER2" "PE2R2_HUMAN" 8.081 "EC50" "activity measured for the active metabolite (omidenepag)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/30465134" "https://pubmed.ncbi.nlm.nih.gov/30465134" "AGONIST" "Tclin" "Homo sapiens" "patisiran" 5313 "transthyretin (TTR) mRNA" "RNA" "P02766" "TTR" "TTHY_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/210922s000lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" "moxetumomab pasudotox" 5314 "B-cell receptor CD22" "Membrane receptor" "P20273" "CD22" "CD22_HUMAN" 8.2 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761104s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "fremanezumab" 5315 "Calcitonin gene-related peptide 1" "GPCR" "P06881" "CALCA" "CALCA_HUMAN" 10.3 "Kd" "IUPHAR" ">" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761089s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "galcanezumab" 5316 "Calcitonin gene-related peptide 1" "GPCR" "P06881" "CALCA" "CALCA_HUMAN" 8.7 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761063s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "cemiplimab" 5317 "Programmed cell death protein 1" "Membrane receptor" "Q15116" "PDCD1" "PDCD1_HUMAN" 7.102 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/28265006" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761097s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "inotersen " 5319 "transthyretin (TTR) mRNA" "RNA" "P02766" "TTR" "TTHY_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/211172lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" "emapalumab" 5320 "Interferon gamma" "Cytokine" "P01579" "IFNG" "IFNG_HUMAN" 9.1 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761107s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "ravulizumab" 5322 "Complement C5" "Secreted" "P01031" "C5" "CO5_HUMAN" 9.357 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29649283" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761108s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "tagraxofusp" 5323 "Interleukin-3 receptor" "Membrane receptor" "P26951|P32927" "IL3RA|CSF2RB" "IL3RA_HUMAN|IL3RB_HUMAN" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/761116s000lbl.pdf" "BINDING AGENT" "Tclin|Tclin" "Homo sapiens" "brexanolone" 5324 "Glucose-6-phosphate 1-dehydrogenase" "Enzyme" "P11413" "G6PD" "G6PD_HUMAN" 4.18 "IC50" "Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 mins by Amplite fluorimetric assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "brexanolone" 5324 "GABA-A receptor alpha-1/beta-2/gamma-2" "Ion channel" "P14867|P18507|P47870" "GABRA1|GABRG2|GABRB2" "GBRA1_HUMAN|GBRG2_HUMAN|GBRB2_HUMAN" 7.222 "EC50" "Possible target. Activity determined against recombinant Ltk cells" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211371Orig1s000MultidisciplineR.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "brexanolone" 5324 "GABA A receptor alpha-4/beta-3/delta" "Ion channel" "P48169|P28472|O14764" "GABRA4|GABRB3|GABRD" "GBRA4_HUMAN|GBRB3_HUMAN|GBRD_HUMAN" 7.097 "EC50" "Possible target. Activity determined against recombinant CHO cells" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211371Orig1s000MultidisciplineR.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "brexanolone" 5324 "GABA-A receptor alpha-6/beta-3/delta" "Ion channel" "Q16445|P28472|O14764" "GABRA6|GABRB3|GABRD" "GBRA6_HUMAN|GBRB3_HUMAN|GBRD_HUMAN" 6.81 "EC50" "Possible target. Activity determined against recombinant CHO cells" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2019/211371Orig1s000MultidisciplineR.pdf" "POSITIVE ALLOSTERIC MODULATOR" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "solriamfetol" 5325 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 4.088 "Ki" "Binding affinity" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211230s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "solriamfetol" 5325 "Sodium-dependent noradrenaline transporter" "Transporter" "P23975" "SLC6A2" "SC6A2_HUMAN" 5.432 "Ki" "Binding affinity" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211230s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "solriamfetol" 5325 "Sodium-dependent dopamine transporter" "Transporter" "Q01959" "SLC6A3" "SC6A3_HUMAN" 4.848 "Ki" "Binding affinity" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211230s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "siponimod" 5326 "Sphingosine 1-phosphate receptor 4" "GPCR" "O95977" "S1PR4" "S1PR4_HUMAN" 6.125 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31144287" "MODULATOR" "Tclin" "Homo sapiens" "siponimod" 5326 "Sphingosine 1-phosphate receptor 3" "GPCR" "Q99500" "S1PR3" "S1PR3_HUMAN" 3 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31144287" "MODULATOR" "Tclin" "Homo sapiens" "siponimod" 5326 "Sphingosine 1-phosphate receptor 2" "GPCR" "O95136" "S1PR2" "S1PR2_HUMAN" 4 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31144287" "MODULATOR" "Tchem" "Homo sapiens" "siponimod" 5326 "Sphingosine 1-phosphate receptor 1" "GPCR" "P21453" "S1PR1" "S1PR1_HUMAN" 9.409 "EC50" "Possible mechanism of action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31144287" "https://pubmed.ncbi.nlm.nih.gov/31144287" "MODULATOR" "Tclin" "Homo sapiens" "siponimod" 5326 "Sphingosine 1-phosphate receptor 5" "GPCR" "Q9H228" "S1PR5" "S1PR5_HUMAN" 9.009 "EC50" "Possible mechanism of action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31144287" "https://pubmed.ncbi.nlm.nih.gov/31144287" "MODULATOR" "Tclin" "Homo sapiens" "erdafitinib" 5327 "Vascular endothelial growth factor receptor 2" "Kinase" "P35918" "Kdr" "VGFR2_MOUSE" 10 "IC50" "Inhibition of VEGFR2 in mouse BAF3 cells" "CHEMBL" "=" "Mus musculus" "erdafitinib" 5327 "Vascular endothelial growth factor receptor 2" "Kinase" "P35918" "Kdr" "VGFR2_MOUSE" 10 "IC50" "Inhibition of VEGFR2 in mouse BAF3 cells" "CHEMBL" "=" "Mus musculus" "erdafitinib" 5327 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.434 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "erdafitinib" 5327 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 8.523 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "erdafitinib" 5327 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 8.921 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "erdafitinib" 5327 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 8.602 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "erdafitinib" 5327 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 8.244 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31161538" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212018s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "alpelisib" 5328 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 6.54 "IC50" "Inhibition of P110delta (unknown origin) using PIP2:PS as substrate by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "alpelisib" 5328 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "P42338" "PIK3CB" "PK3CB_HUMAN" 5.92 "IC50" "Inhibition of P110beta (unknown origin) using L-a-phosphatidylinositol as substrate by luminescence assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "alpelisib" 5328 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 6.6 "IC50" "Inhibition of P110gamma (unknown origin) using PIP2:PS as substrate by TR-FRET assay" "CHEMBL" "=" "Tclin" "Homo sapiens" "alpelisib" 5328 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "Q9Z1L0" "Pik3cb" "PK3CB_RAT" 5.66 "IC50" "Inhibition of PI3Kbeta in rat Rat1 cells assessed as reduction of Akt phosphorylation at Ser473 in presence of 0.5% fetal calf serum" "CHEMBL" "=" "Rattus norvegicus" "alpelisib" 5328 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 8.337 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31256368" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212526s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "bremelanotide" 5329 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 7.77 "Ki" "Displacement of [125I]-NAD-alpha-MSH from human recombinant MC3 receptor human MC5 expressed in BHK570 cells after 1 hr in presence of ovalbumin" "CHEMBL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tchem" "Homo sapiens" "bremelanotide" 5329 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 8.62 "EC50" "Agonist activity at human MC3R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTRF method" "CHEMBL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tchem" "Homo sapiens" "bremelanotide" 5329 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" 10.02 "EC50" "Agonist activity at human MC1R expressed in low doxycyclin-treated HEK293 cell membranes assessed as increase in cAMP production after 45 mins by HTRF method" "CHEMBL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "bremelanotide" 5329 "Adrenocorticotropic hormone receptor" "GPCR" "Q01718" "MC2R" "ACTHR_HUMAN" "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210557s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "bremelanotide" 5329 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 8 "Kd" "Functional evaluation of PT‐141 at the MC4R was performed by measuring the accumulation of intracellular cAMP in HEK‐293 cells expressing MC4R" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/12851303" "https://pubmed.ncbi.nlm.nih.gov/12851303" "AGONIST" "Tclin" "Homo sapiens" "selinexor" 5330 "Exportin-1" "Nuclear other" "O14980" "XPO1" "XPO1_HUMAN" 7.7 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://clinicaltrials.gov/ProvidedDocs/61/NCT02215161/Prot_SAP_000.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212306s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "prabotulinumtoxinA" 5331 "Synaptosomal-associated protein 25" "Cytosolic other" "P60880" "SNAP25" "SNP25_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761085s000lbl.pdf" "BLOCKER" "Tclin" "Homo sapiens" "polatuzumab vedotin" 5333 "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" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761121s000lbl.pdf" "BINDING AGENT" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|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" "polatuzumab vedotin" 5333 "B-cell antigen receptor complex-associated protein beta chain" "Tumour-associated antigen" "P40259" "CD79B" "CD79B_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761121s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "darolutamide" 5334 "Androgen receptor" "Transcription factor" "P15207" "Ar" "ANDR_RAT" 7.96 "Ki" "Binding affinity measured in competition with [3H]mibolerone using wtAR isolated from rat ventral prostates." "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "darolutamide" 5334 "Progesterone receptor" "Nuclear hormone receptor" "P06401" "PGR" "PRGR_HUMAN" "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212099Orig1s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "darolutamide" 5334 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.187 "IC50" "Competitively inhibits androgen binding" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26137992" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212099Orig1s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "volanesorsen" 5335 "apolipoprotein C-III (apoC-III) mRNA" "RNA" "P02656" "APOC3" "APOC3_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.ema.europa.eu/en/documents/assessment-report/waylivra-epar-public-assessment-report_en.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" "risankizumab" 5337 "Interleukin-23 subunit alpha" "Cytokine" "Q9NPF7" "IL23A" "IL23A_HUMAN" 11 "Kd" "selectively binds to the p19 subunit of human IL-23" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/25905918" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761105s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ropeginterferon alfa-2b" 5338 "Interferon alpha/beta receptor" "Membrane receptor" "P17181|P48551" "IFNAR1|IFNAR2" "INAR1_HUMAN|INAR2_HUMAN" "Patients showed a statistically significant difference in the JAK2V617F allele burden (19.7%) and JAK2V617F allele change from baseline (-22.9%)" "DRUG LABEL" 1 "DRUG LABEL" "https://www.ema.europa.eu/en/documents/product-information/besremi-epar-product-information_en.pdf" "BINDING AGENT" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "sotagliflozin" 5339 "Sodium/glucose cotransporter 2" "Transporter" "P31639" "SLC5A2" "SC5A2_HUMAN" 8.745 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22739142" "https://www.ema.europa.eu/en/documents/product-information/zynquista-epar-product-information_en.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "sotagliflozin" 5339 "Sodium/glucose cotransporter 1" "Transporter" "P13866" "SLC5A1" "SC5A1_HUMAN" 7.444 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22739142" "https://www.ema.europa.eu/en/documents/product-information/zynquista-epar-product-information_en.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "quizartinib" 5341 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.8 "Kd" "Binding affinity to PDGFRbeta" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 6.5 "Kd" "Binding affinity to ABL1 T315I mutant" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.8 "Kd" "Binding affinity to cKIT" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.6 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 8.8 "Kd" "Binding affinity to RET" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 7.39 "Kd" "Binding affinity to FLT1" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.06 "Kd" "Binding affinity to VEGFR2" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 7.39 "Kd" "Binding affinity to FLT4" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 8.8 "Kd" "Binding affinity to CSF1R" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 8.8 "Kd" "Binding affinity to PDGFRalpha" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.39 "Kd" "Binding affinity to MLCK" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 5.64 "Kd" "Binding affinity to TRKA" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 5.24 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.68 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 5.04 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "TRAF2 and NCK-interacting protein kinase" "Kinase" "Q9UKE5" "TNIK" "TNIK_HUMAN" 5.55 "Kd" "Binding constant for TNIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.19 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 5.75 "Kd" "Binding affinity to FRK" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Mitogen-activated protein kinase kinase kinase kinase 5" "Kinase" "Q9Y4K4" "MAP4K5" "M4K5_HUMAN" 6.36 "Kd" "Binding affinity to MAP4K5" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.57 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 5.43 "Kd" "Binding constant for EPHA7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 5.34 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 5.58 "Kd" "Binding affinity to MKNK2" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 7.09 "Kd" "Binding affinity to DDR1" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 6.21 "Kd" "Binding affinity to TRKB" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 5.5 "Kd" "Binding affinity to TIE1" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 6.26 "Kd" "Binding affinity to TRKC" "CHEMBL" "=" "Tclin" "Homo sapiens" "quizartinib" 5341 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 6.16 "Kd" "Binding affinity to DDR2" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Mitogen-activated protein kinase kinase kinase kinase 4" "Kinase" "O95819" "MAP4K4" "M4K4_HUMAN" 5.6 "Kd" "Binding affinity to MAP4K4" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6 "Kd" "Binding affinity to MUSK" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Mitogen-activated protein kinase 15" "Kinase" "Q8TD08" "MAPK15" "MK15_HUMAN" 6.57 "Kd" "Binding affinity to ERK8" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 6.05 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 5.92 "Kd" "Binding affinity to EPHB6" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.5 "Kd" "Binding affinity to HIPK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 5.07 "Kd" "Binding affinity to TAK1" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 5.7 "Kd" "Binding affinity to YSK4" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 6.39 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "quizartinib" 5341 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 8.796 "Kd" "FLT3 binding affinity in biochemical assay" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/19754199" "https://pubmed.ncbi.nlm.nih.gov/19654408" "INHIBITOR" "Tclin" "Homo sapiens" "relebactam" 5342 "Beta-lactamase" "Enzyme" "Q8RL90" "ampC" "Q8RL90_PSEAI" 6.33 "IC50" "Spectrophotometric Assay: Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay." "CHEMBL" "=" "Pseudomonas aeruginosa" "relebactam" 5342 "Beta-lactamase" "Enzyme" "Q2PUH3" "blaCTX-M-15" "Q2PUH3_KLEPN" 6.4 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31383664" "https://pubmed.ncbi.nlm.nih.gov/31383664" "INHIBITOR" "Klebsiella pneumoniae" "relebactam" 5342 "Beta-lactamase" "Enzyme" "Q9X5A7" "L2camp" "Q9X5A7_STEMA" 6.33 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31383664" "https://pubmed.ncbi.nlm.nih.gov/31383664" "INHIBITOR" "Stenotrophomonas maltophilia" "relebactam" 5342 "Beta-lactamase" "Enzyme" "Q93LQ9" "KPC-2" "Q93LQ9_KLEPN" 6.64 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31383664" "https://pubmed.ncbi.nlm.nih.gov/31383664" "INHIBITOR" "Klebsiella pneumoniae" "relebactam" 5342 "Beta-lactamase" "Enzyme" "Q93DC4" "bla" "Q93DC4_KLEPN" 6.59 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31383664" "https://pubmed.ncbi.nlm.nih.gov/31383664" "INHIBITOR" "Klebsiella pneumoniae" "relebactam" 5342 "Beta-lactamase" "Enzyme" "B1PL86" "blaKPC-4" "B1PL86_KLEPN" 6.04 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31383664" "https://pubmed.ncbi.nlm.nih.gov/31383664" "INHIBITOR" "Klebsiella pneumoniae" "pexidartinib" 5343 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.07 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "pexidartinib" 5343 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 6.06 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "pexidartinib" 5343 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.36 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "pexidartinib" 5343 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 6.05 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "pexidartinib" 5343 "Cyclin-dependent kinase 19" "Kinase" "Q9BWU1" "CDK19" "CDK19_HUMAN" 6.85 "IC50" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "pexidartinib" 5343 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.56 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/26222558" "https://pubmed.ncbi.nlm.nih.gov/26222558" "INHIBITOR" "Tclin" "Homo sapiens" "pexidartinib" 5343 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.79 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/26222558" "https://pubmed.ncbi.nlm.nih.gov/26222558" "INHIBITOR" "Tclin" "Homo sapiens" "pexidartinib" 5343 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 7.88 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/26222558" "https://pubmed.ncbi.nlm.nih.gov/26222558" "INHIBITOR" "Tclin" "Homo sapiens" "entrectinib" 5345 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.46 "IC50" "Inhibition of JAK3 (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "entrectinib" 5345 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.79 "IC50" "Inhibition of FLT3 (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "entrectinib" 5345 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 6.41 "IC50" "Inhibition of RET (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "entrectinib" 5345 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 6.91 "IC50" "Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "entrectinib" 5345 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.68 "IC50" "Inhibition of IR (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "entrectinib" 5345 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 6.85 "IC50" "Inhibition of FAK (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "entrectinib" 5345 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 6.95 "IC50" "Inhibition of JAK1 (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tclin" "Homo sapiens" "entrectinib" 5345 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 6.67 "IC50" "Inhibition of AUR2 (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tchem" "Homo sapiens" "entrectinib" 5345 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 6.71 "IC50" "Inhibition of BRK (unknown origin) in presence of gamma33-ATP" "CHEMBL" "=" "Tchem" "Homo sapiens" "entrectinib" 5345 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.47 "IC50" "Biochemical Assay: The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.A specific substrate was incubated with the kinase in appropriate buffer conditions in the presence of ATP traced with .sup.33P-.gamma.-ATP (gamma phosphate-labeled, Redivue.TM. Code Number AH9968, 1000-3000 Ci/mmole, Amersham Biosciences Piscataway, N.J., USA), optimal cofactors and test compound.At the end of the phosphorylation reaction, more than 98% cold and radioactive ATP were captured by an excess of Dowex ion exchange resin. The resin was allowed to settle to the bottom of reaction wells by gravity. Supernatant, containing substrate peptide, was subsequently withdrawn and transferred into a counting plate, and radioactivity (corresponding to phosphate incorporated into peptide) was evaluated by .beta.-counting. Assay Conditions:The kinase assay was run with a final enzyme concentration of 6 nM, in the prese" "CHEMBL" "=" "Tchem" "Homo sapiens" "entrectinib" 5345 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.4 "IC50" "SCIENTIFIC LITERATURE" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "entrectinib" 5345 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 7.15 "IC50" "SCIENTIFIC LITERATURE" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "entrectinib" 5345 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "https://pubmed.ncbi.nlm.nih.gov/27003761" "INHIBITOR" "Tclin" "Homo sapiens" "entrectinib" 5345 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 7.92 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "https://pubmed.ncbi.nlm.nih.gov/27003761" "INHIBITOR" "Tclin" "Homo sapiens" "entrectinib" 5345 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 8.52 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "https://pubmed.ncbi.nlm.nih.gov/27003761" "INHIBITOR" "Tclin" "Homo sapiens" "entrectinib" 5345 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 8.3 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "https://pubmed.ncbi.nlm.nih.gov/27003761" "INHIBITOR" "Tclin" "Homo sapiens" "entrectinib" 5345 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 8.15 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212725s000lbl.pdf" "https://pubmed.ncbi.nlm.nih.gov/27003761" "INHIBITOR" "Tclin" "Homo sapiens" "upadacitinib" 5346 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.33 "IC50" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "upadacitinib" 5346 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.63 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30886973" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211675s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "upadacitinib" 5346 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 7.33 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30886973" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211675s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "upadacitinib" 5346 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 6.92 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30886973" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211675s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "fedratinib" 5347 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7.35 "Kd" "Binding constant for PDGFRB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 7.4 "Kd" "Binding constant for ABL1(E255K)-phosphorylated kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 7.34 "Kd" "Binding constant for KIT(A829P) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.24 "Kd" "Binding constant for EGFR(T790M) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 7.12 "Kd" "Binding constant for SRC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 7.14 "Kd" "Binding constant for LCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 6.92 "Kd" "Binding constant for YES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 7.42 "Kd" "Binding constant for FYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Ephrin type-A receptor 2" "Kinase" "P29317" "EPHA2" "EPHA2_HUMAN" 5.36 "Kd" "Binding constant for EPHA2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.03 "Kd" "Binding constant for BRAF(V600E) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.32 "IC50" "Inhibition of RET (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.37 "Kd" "Binding constant for FLT1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 5.28 "Kd" "Binding constant for VEGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 5.7 "Kd" "Binding constant for FLT4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.21 "Kd" "Binding constant for CSF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.57 "Kd" "Binding constant for PDGFRA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Ribosomal protein S6 kinase alpha-3" "Kinase" "P51812" "RPS6KA3" "KS6A3_HUMAN" 5.09 "Kd" "Binding constant for RSK2(Kin.Dom.1-N-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Phosphorylase b kinase gamma catalytic chain, liver/testis isoform" "Kinase" "P15735" "PHKG2" "PHKG2_HUMAN" 5.8 "Kd" "Binding constant for PHKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 5.66 "Kd" "Binding constant for IGF1R kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Myosin light chain kinase, smooth muscle" "Kinase" "Q15746" "MYLK" "MYLK_HUMAN" 6.28 "Kd" "Binding constant for MYLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 6.07 "Kd" "Binding constant for INSR kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Death-associated protein kinase 3" "Kinase" "O43293" "DAPK3" "DAPK3_HUMAN" 8.92 "Kd" "Binding constant for DAPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase type 1" "Kinase" "Q14012" "CAMK1" "KCC1A_HUMAN" 5.8 "Kd" "Binding constant for CAMK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase 8" "Kinase" "P45983" "MAPK8" "MK08_HUMAN" 6.58 "Kd" "Binding constant for JNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 6.44 "Kd" "Binding constant for FGFR3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Rho-associated protein kinase 1" "Kinase" "Q13464" "ROCK1" "ROCK1_HUMAN" 5.68 "Kd" "Binding constant for ROCK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Focal adhesion kinase 1" "Kinase" "Q05397" "PTK2" "FAK1_HUMAN" 7.38 "Kd" "Binding constant for FAK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase HCK" "Kinase" "P08631" "HCK" "HCK_HUMAN" 5.68 "Kd" "Binding constant for HCK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PLK1" "Kinase" "P53350" "PLK1" "PLK1_HUMAN" 6.55 "Kd" "Binding constant for PLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 5.7 "Kd" "Binding constant for ERBB4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase 10" "Kinase" "P53779" "MAPK10" "MK10_HUMAN" 6.7 "Kd" "Binding constant for JNK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Death-associated protein kinase 2" "Kinase" "Q9UIK4" "DAPK2" "DAPK2_HUMAN" 7.54 "Kd" "Binding constant for DAPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 6.08 "Kd" "Binding constant for TRKA kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 5.66 "Kd" "Binding constant for ROCK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.57 "Kd" "Binding constant for SYK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase type II subunit delta" "Kinase" "Q13557" "CAMK2D" "KCC2D_HUMAN" 6.23 "Kd" "Binding constant for CAMK2D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Myosin light chain kinase 2, skeletal/cardiac muscle" "Kinase" "Q9H1R3" "MYLK2" "MYLK2_HUMAN" 5.52 "Kd" "Binding constant for MYLK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase CSK" "Kinase" "P41240" "CSK" "CSK_HUMAN" 5.23 "Kd" "Binding constant for CSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.72 "Kd" "Binding constant for TIE2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Ephrin type-A receptor 8" "Kinase" "P29322" "EPHA8" "EPHA8_HUMAN" 5.11 "Kd" "Binding constant for EPHA8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase type II subunit gamma" "Kinase" "Q13555" "CAMK2G" "KCC2G_HUMAN" 6.27 "Kd" "Binding constant for CAMK2G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "AP2-associated protein kinase 1" "Kinase" "Q2M2I8" "AAK1" "AAK1_HUMAN" 7.46 "Kd" "Binding constant for AAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase MARK2" "Kinase" "Q7KZI7" "MARK2" "MARK2_HUMAN" 5.51 "Kd" "Binding constant for MARK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.36 "Kd" "Binding constant for MET(M1250T) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.3 "Kd" "Binding constant for LYN kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5.92 "Kd" "Binding constant for BMX kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek2" "Kinase" "P51955" "NEK2" "NEK2_HUMAN" 5.77 "Kd" "Binding constant for NEK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "LIM domain kinase 1" "Kinase" "P53667" "LIMK1" "LIMK1_HUMAN" 6.03 "Kd" "Binding constant for LIMK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ribosomal protein S6 kinase alpha-2" "Kinase" "Q15349" "RPS6KA2" "KS6A2_HUMAN" 5.64 "Kd" "Binding constant for RSK3(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" 5.62 "Kd" "Binding constant for AMPK-alpha1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase type II subunit beta" "Kinase" "Q13554" "CAMK2B" "KCC2B_HUMAN" 5.17 "Kd" "Binding constant for CAMK2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 6.55 "Kd" "Binding constant for FGFR1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform" "Kinase" "Q16816" "PHKG1" "PHKG1_HUMAN" 6.48 "Kd" "Binding constant for PHKG1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase type II subunit alpha" "Kinase" "Q9UQM7" "CAMK2A" "KCC2A_HUMAN" 6.52 "Kd" "Binding constant for CAMK2A kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 17B" "Kinase" "O94768" "STK17B" "ST17B_HUMAN" 7.35 "Kd" "Binding constant for DRAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 10" "Kinase" "O94804" "STK10" "STK10_HUMAN" 5.54 "Kd" "Binding constant for LOK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Fer" "Kinase" "P16591" "FER" "FER_HUMAN" 5.96 "Kd" "Binding constant for FER kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Protein kinase C epsilon type" "Kinase" "Q02156" "PRKCE" "KPCE_HUMAN" 5.09 "Kd" "Binding constant for PRKCE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PLK4" "Kinase" "O00444" "PLK4" "PLK4_HUMAN" 7.02 "Kd" "Binding constant for PLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Aurora kinase C" "Kinase" "Q9UQB9" "AURKC" "AURKC_HUMAN" 6.46 "Kd" "Binding constant for AURKC kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 16" "Kinase" "O75716" "STK16" "STK16_HUMAN" 8.18 "Kd" "Binding constant for STK16 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity protein kinase TTK" "Kinase" "P33981" "TTK" "TTK_HUMAN" 6.35 "Kd" "Binding constant for TTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Abelson tyrosine-protein kinase 2" "Kinase" "P42684" "ABL2" "ABL2_HUMAN" 6.24 "Kd" "Binding constant for ABL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ephrin type-A receptor 4" "Kinase" "P54764" "EPHA4" "EPHA4_HUMAN" 5.4 "Kd" "Binding constant for EPHA4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 6.33 "Kd" "Binding constant for FGFR2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase N1" "Kinase" "Q16512" "PKN1" "PKN1_HUMAN" 5.96 "Kd" "Binding constant for PKN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 17A" "Kinase" "Q9UEE5" "STK17A" "ST17A_HUMAN" 6.21 "Kd" "Binding constant for DRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ephrin type-A receptor 6" "Kinase" "Q9UF33" "EPHA6" "EPHA6_HUMAN" 5.41 "Kd" "Binding constant for EPHA6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Fgr" "Kinase" "P09769" "FGR" "FGR_HUMAN" 7.09 "Kd" "Binding constant for FGR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Aurora kinase A" "Kinase" "O14965" "AURKA" "AURKA_HUMAN" 5.36 "Kd" "Binding constant for AURKA kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 6.19 "Kd" "Binding constant for ALK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 36" "Kinase" "Q9NRP7" "STK36" "STK36_HUMAN" 6.06 "Kd" "Binding constant for STK36 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Ephrin type-A receptor 3" "Kinase" "P29320" "EPHA3" "EPHA3_HUMAN" 5.15 "Kd" "Binding constant for EPHA3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "BMP-2-inducible protein kinase" "Kinase" "Q9NSY1" "BMP2K" "BMP2K_HUMAN" 7.5 "Kd" "Binding constant for BIKE kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase FRK" "Kinase" "P42685" "FRK" "FRK_HUMAN" 6.7 "Kd" "Binding constant for FRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity protein kinase CLK1" "Kinase" "P49759" "CLK1" "CLK1_HUMAN" 5.6 "Kd" "Binding constant for CLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity protein kinase CLK2" "Kinase" "P49760" "CLK2" "CLK2_HUMAN" 5.64 "Kd" "Binding constant for CLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 4" "Kinase" "Q9Y6R4" "MAP3K4" "M3K4_HUMAN" 5.39 "Kd" "Binding constant for MAP3K4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Cyclin-G-associated kinase" "Kinase" "O14976" "GAK" "GAK_HUMAN" 8.96 "Kd" "Binding constant for GAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Receptor-interacting serine/threonine-protein kinase 2" "Kinase" "O43353" "RIPK2" "RIPK2_HUMAN" 5.21 "Kd" "Binding constant for RIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.77 "Kd" "Binding constant for EPHB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase type 1D" "Kinase" "Q8IU85" "CAMK1D" "KCC1D_HUMAN" 6.34 "Kd" "Binding constant for CAMK1D kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 16" "Kinase" "Q00536" "CDK16" "CDK16_HUMAN" 5.51 "Kd" "Binding constant for PCTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Activated CDC42 kinase 1" "Kinase" "Q07912" "TNK2" "ACK1_HUMAN" 7.19 "Kd" "Binding constant for TNK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Ephrin type-A receptor 7" "Kinase" "Q15375" "EPHA7" "EPHA7_HUMAN" 5.19 "Kd" "Binding constant for EPHA7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ribosomal protein S6 kinase alpha-5" "Kinase" "O75582" "RPS6KA5" "KS6A5_HUMAN" 5.66 "Kd" "Binding constant for RPS6KA5(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "STE20-like serine/threonine-protein kinase" "Kinase" "Q9H2G2" "SLK" "SLK_HUMAN" 6.17 "Kd" "Binding constant for SLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity protein kinase CLK4" "Kinase" "Q9HAZ1" "CLK4" "CLK4_HUMAN" 5.7 "Kd" "Binding constant for CLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "MAP kinase-interacting serine/threonine-protein kinase 2" "Kinase" "Q9HBH9" "MKNK2" "MKNK2_HUMAN" 6.42 "Kd" "Binding constant for MKNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase 9" "Kinase" "P45984" "MAPK9" "MK09_HUMAN" 6.62 "Kd" "Binding constant for JNK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase kinase 2" "Kinase" "Q96RR4" "CAMKK2" "KKCC2_HUMAN" 5.4 "Kd" "Binding constant for CAMKK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "MAP/microtubule affinity-regulating kinase 3" "Kinase" "P27448" "MARK3" "MARK3_HUMAN" 6.52 "Kd" "Binding constant for MARK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase kinase 1" "Kinase" "Q8N5S9" "CAMKK1" "KKCC1_HUMAN" 5.75 "Kd" "Binding constant for CAMKK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Calcium/calmodulin-dependent protein kinase type 1G" "Kinase" "Q96NX5" "CAMK1G" "KCC1G_HUMAN" 5.5 "Kd" "Binding constant for CAMK1G kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 5.72 "Kd" "Binding constant for DDR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ephrin type-B receptor 4" "Kinase" "P54760" "EPHB4" "EPHB4_HUMAN" 5.68 "Kd" "Binding constant for EPHB4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Testis-specific serine/threonine-protein kinase 1" "Kinase" "Q9BXA7" "TSSK1B" "TSSK1_HUMAN" 5.89 "Kd" "Binding constant for TSSK1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Activin receptor type-1B" "Kinase" "P36896" "ACVR1B" "ACV1B_HUMAN" 5.17 "Kd" "Binding constant for ACVR1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase receptor R3" "Kinase" "P37023" "ACVRL1" "ACVL1_HUMAN" 5.62 "Kd" "Binding constant for ACVRL1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Activin receptor type-1" "Kinase" "Q04771" "ACVR1" "ACVR1_HUMAN" 6.82 "Kd" "Binding constant for ACVR1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 15" "Kinase" "Q96Q40" "CDK15" "CDK15_HUMAN" 5.07 "Kd" "Binding constant for PFTAIRE2 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "fedratinib" 5347 "Inhibitor of nuclear factor kappa-B kinase subunit beta" "Kinase" "O14920" "IKBKB" "IKKB_HUMAN" 6.44 "Kd" "Binding constant for IKK-beta kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "TGF-beta receptor type-2" "Kinase" "P37173" "TGFBR2" "TGFR2_HUMAN" 5.96 "Kd" "Binding constant for TGFBR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 5.29 "Kd" "Binding constant for MEK1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 5.51 "Kd" "Binding constant for MEK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase ITK/TSK" "Kinase" "Q08881" "ITK" "ITK_HUMAN" 6.31 "Kd" "Binding constant for ITK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase ZAP-70" "Kinase" "P43403" "ZAP70" "ZAP70_HUMAN" 5.42 "Kd" "Binding constant for ZAP70 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 9" "Kinase" "P50750" "CDK9" "CDK9_HUMAN" 5.06 "Kd" "Binding constant for CDK9 kinase domain" "CHEMBL" "=" "Homo sapiens" "fedratinib" 5347 "Protein-tyrosine kinase 6" "Kinase" "Q13882" "PTK6" "PTK6_HUMAN" 5.92 "Kd" "Binding constant for BRK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 6.07 "Kd" "Binding constant for BTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase receptor UFO" "Kinase" "P30530" "AXL" "UFO_HUMAN" 6.8 "Kd" "Binding constant for AXL kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.51 "Kd" "Binding constant for TRKB kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Ephrin type-B receptor 2" "Kinase" "P29323" "EPHB2" "EPHB2_HUMAN" 5.41 "Kd" "Binding constant for EPHB2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 6.92 "Kd" "Binding constant for CDK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ribosomal protein S6 kinase beta-1" "Kinase" "P23443" "RPS6KB1" "KS6B1_HUMAN" 5.7 "Kd" "Binding constant for S6K1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase DCLK3" "Kinase" "Q9C098" "DCLK3" "DCLK3_HUMAN" 7.89 "Kd" "Binding constant for DCAMKL3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ribosomal protein S6 kinase alpha-6" "Kinase" "Q9UK32" "RPS6KA6" "KS6A6_HUMAN" 6.44 "Kd" "Binding constant for RSK4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 7.31 "Kd" "Binding constant for SNARK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Non-receptor tyrosine-protein kinase TNK1" "Kinase" "Q13470" "TNK1" "TNK1_HUMAN" 6.44 "Kd" "Binding constant for TNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Chk1" "Kinase" "O14757" "CHEK1" "CHK1_HUMAN" 5.42 "Kd" "Binding constant for CHEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 5.41 "Kd" "Binding constant for PIK3CA(H1047L) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 17" "Kinase" "Q00537" "CDK17" "CDK17_HUMAN" 6.46 "Kd" "Binding constant for PCTK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 18" "Kinase" "Q07002" "CDK18" "CDK18_HUMAN" 5.57 "Kd" "Binding constant for PCTK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 14" "Kinase" "O94921" "CDK14" "CDK14_HUMAN" 5.58 "Kd" "Binding constant for PFTK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha" "Kinase" "Q99755" "PIP5K1A" "PI51A_HUMAN" 7.18 "Kd" "Binding constant for PIP5K1A kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Phosphatidylinositol 5-phosphate 4-kinase type-2 beta" "Kinase" "P78356" "PIP4K2B" "PI42B_HUMAN" 6.8 "Kd" "Binding constant for PIP5K2B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Myosin light chain kinase family member 4" "Kinase" "Q86YV6" "MYLK4" "MYLK4_HUMAN" 6.89 "Kd" "Binding constant for MYLK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Wee1-like protein kinase" "Kinase" "P30291" "WEE1" "WEE1_HUMAN" 6.41 "Kd" "Binding constant for WEE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 25" "Kinase" "O00506" "STK25" "STK25_HUMAN" 5.14 "Kd" "Binding constant for YSK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase MLT" "Kinase" "Q9NYL2" "ZAK" "MLTK_HUMAN" 6.19 "Kd" "Binding constant for ZAK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Protein-tyrosine kinase 2-beta" "Kinase" "Q14289" "PTK2B" "FAK2_HUMAN" 6.66 "Kd" "Binding constant for PYK2 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase RIO1" "Kinase" "Q9BRS2" "RIOK1" "RIOK1_HUMAN" 7 "Kd" "Binding constant for RIOK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase receptor Tie-1" "Kinase" "P35590" "TIE1" "TIE1_HUMAN" 6.16 "Kd" "Binding constant for TIE1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase tousled-like 1" "Kinase" "Q9UKI8" "TLK1" "TLK1_HUMAN" 5.89 "Kd" "Binding constant for TLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase tousled-like 2" "Kinase" "Q86UE8" "TLK2" "TLK2_HUMAN" 5.7 "Kd" "Binding constant for TLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 5.07 "Kd" "Binding constant for TRKC kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 5.82 "Kd" "Binding constant for TXK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Casein kinase II subunit alpha" "Kinase" "P68400" "CSNK2A1" "CSK21_HUMAN" 6.04 "Kd" "Binding constant for CSNK2A1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Casein kinase II subunit alpha'" "Kinase" "P19784" "CSNK2A2" "CSK22_HUMAN" 6.92 "Kd" "Binding constant for CSNK2A2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity tyrosine-phosphorylation-regulated kinase 1B" "Kinase" "Q9Y463" "DYRK1B" "DYR1B_HUMAN" 5.02 "Kd" "Binding constant for DYRK1B kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Inhibitor of nuclear factor kappa-B kinase subunit epsilon" "Kinase" "Q14164" "IKBKE" "IKKE_HUMAN" 6.44 "Kd" "Binding constant for IKK-epsilon kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "LIM domain kinase 2" "Kinase" "P53671" "LIMK2" "LIMK2_HUMAN" 5.1 "Kd" "Binding constant for LIMK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase STK11" "Kinase" "Q15831" "STK11" "STK11_HUMAN" 6.51 "Kd" "Binding constant for LKB1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity mitogen-activated protein kinase kinase 3" "Kinase" "P46734" "MAP2K3" "MP2K3_HUMAN" 5.46 "Kd" "Binding constant for MEK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Maternal embryonic leucine zipper kinase" "Kinase" "Q14680" "MELK" "MELK_HUMAN" 5.58 "Kd" "Binding constant for MELK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "MAP kinase-interacting serine/threonine-protein kinase 1" "Kinase" "Q9BUB5" "MKNK1" "MKNK1_HUMAN" 5.14 "Kd" "Binding constant for MKNK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 26" "Kinase" "Q9P289" "STK26" "STK26_HUMAN" 5.12 "Kd" "Binding constant for MST4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek7" "Kinase" "Q8TDX7" "NEK7" "NEK7_HUMAN" 6.8 "Kd" "Binding constant for NEK7 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Eukaryotic translation initiation factor 2-alpha kinase 4" "Kinase" "Q9P2K8" "EIF2AK4" "E2AK4_HUMAN" 7 "Kd" "Binding constant for GCN2(Kin.Dom.2,S808G) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Insulin receptor-related protein" "Kinase" "P14616" "INSRR" "INSRR_HUMAN" 5.8 "Kd" "Binding constant for INSRR kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Interleukin-1 receptor-associated kinase 3" "Kinase" "Q9Y616" "IRAK3" "IRAK3_HUMAN" 6.92 "Kd" "Binding constant for IRAK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase RIO3" "Kinase" "O14730" "RIOK3" "RIOK3_HUMAN" 7.04 "Kd" "Binding constant for RIOK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase SIK2" "Kinase" "Q9H0K1" "SIK2" "SIK2_HUMAN" 7.01 "Kd" "Binding constant for SIK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "SRSF protein kinase 1" "Kinase" "Q96SB4" "SRPK1" "SRPK1_HUMAN" 6.8 "Kd" "Binding constant for SRPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "SRSF protein kinase 2" "Kinase" "P78362" "SRPK2" "SRPK2_HUMAN" 7 "Kd" "Binding constant for SRPK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 33" "Kinase" "Q9BYT3" "STK33" "STK33_HUMAN" 6.66 "Kd" "Binding constant for STK33 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase TNNI3K" "Kinase" "Q59H18" "TNNI3K" "TNI3K_HUMAN" 5.75 "Kd" "Binding constant for TNNI3K kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "5'-AMP-activated protein kinase catalytic subunit alpha-2" "Kinase" "P54646" "PRKAA2" "AAPK2_HUMAN" 5.33 "Kd" "Binding constant for AMPK-alpha2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ankyrin repeat and protein kinase domain-containing protein 1" "Kinase" "Q8NFD2" "ANKK1" "ANKK1_HUMAN" 5.37 "Kd" "Binding constant for ANKK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Discoidin domain-containing receptor 2" "Kinase" "Q16832" "DDR2" "DDR2_HUMAN" 6.02 "Kd" "Binding constant for DDR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Myotonin-protein kinase" "Kinase" "Q09013" "DMPK" "DMPK_HUMAN" 6 "Kd" "Binding constant for DMPK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Chaperone activity of bc1 complex-like, mitochondrial" "Kinase" "Q8NI60" "COQ8A" "COQ8A_HUMAN" 5.16 "Kd" "Binding constant for ADCK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase LATS2" "Kinase" "Q9NRM7" "LATS2" "LATS2_HUMAN" 5.1 "Kd" "Binding constant for LATS2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Leukocyte tyrosine kinase receptor" "Kinase" "P29376" "LTK" "LTK_HUMAN" 5.2 "Kd" "Binding constant for LTK kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase kinase 1" "Kinase" "Q92918" "MAP4K1" "M4K1_HUMAN" 5.89 "Kd" "Binding constant for HPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PAK 6" "Kinase" "Q9NQU5" "PAK6" "PAK6_HUMAN" 5.16 "Kd" "Binding constant for PAK6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PAK 7" "Kinase" "Q9P286" "PAK5" "PAK5_HUMAN" 5.92 "Kd" "Binding constant for PAK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "NUAK family SNF1-like kinase 1" "Kinase" "O60285" "NUAK1" "NUAK1_HUMAN" 7.47 "Kd" "Binding constant for ARK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase kinase 3" "Kinase" "Q8IVH8" "MAP4K3" "M4K3_HUMAN" 5.75 "Kd" "Binding constant for MAP4K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 6.31 "Kd" "Binding constant for AURKB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.19 "Kd" "Binding constant for BLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Bone morphogenetic protein receptor type-2" "Kinase" "Q13873" "BMPR2" "BMPR2_HUMAN" 5.54 "Kd" "Binding constant for BMPR2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase MARK1" "Kinase" "Q9P0L2" "MARK1" "MARK1_HUMAN" 6.16 "Kd" "Binding constant for MARK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "MAP/microtubule affinity-regulating kinase 4" "Kinase" "Q96L34" "MARK4" "MARK4_HUMAN" 6.01 "Kd" "Binding constant for MARK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity mitogen-activated protein kinase kinase 4" "Kinase" "P45985" "MAP2K4" "MP2K4_HUMAN" 5 "Kd" "Binding constant for MEK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Mer" "Kinase" "Q12866" "MERTK" "MERTK_HUMAN" 6.09 "Kd" "Binding constant for MERTK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 9" "Kinase" "P80192" "MAP3K9" "M3K9_HUMAN" 5.5 "Kd" "Binding constant for MLK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 10" "Kinase" "Q02779" "MAP3K10" "M3K10_HUMAN" 5.16 "Kd" "Binding constant for MLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 11" "Kinase" "Q16584" "MAP3K11" "M3K11_HUMAN" 5.51 "Kd" "Binding constant for MLK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Muscle, skeletal receptor tyrosine-protein kinase" "Kinase" "O15146" "MUSK" "MUSK_HUMAN" 6.1 "Kd" "Binding constant for MUSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Citron Rho-interacting kinase" "Kinase" "O14578" "CIT" "CTRO_HUMAN" 6.85 "Kd" "Binding constant for CIT kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Death-associated protein kinase 1" "Kinase" "P53355" "DAPK1" "DAPK1_HUMAN" 7.8 "Kd" "Binding constant for DAPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase DCLK1" "Kinase" "O15075" "DCLK1" "DCLK1_HUMAN" 6.72 "Kd" "Binding constant for DCAMKL1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase DCLK2" "Kinase" "Q8N568" "DCLK2" "DCLK2_HUMAN" 6.06 "Kd" "Binding constant for DCAMKL2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek5" "Kinase" "Q6P3R8" "NEK5" "NEK5_HUMAN" 6.24 "Kd" "Binding constant for NEK5 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek9" "Kinase" "Q8TD19" "NEK9" "NEK9_HUMAN" 6.82 "Kd" "Binding constant for NEK9 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PAK 1" "Kinase" "Q13153" "PAK1" "PAK1_HUMAN" 5.51 "Kd" "Binding constant for PAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PAK 2" "Kinase" "Q13177" "PAK2" "PAK2_HUMAN" 5.22 "Kd" "Binding constant for PAK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PAK 4" "Kinase" "O96013" "PAK4" "PAK4_HUMAN" 5.42 "Kd" "Binding constant for PAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "AarF domain-containing protein kinase 4" "Kinase" "Q96D53" "COQ8B" "COQ8B_HUMAN" 6.52 "Kd" "Binding constant for ADCK4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase SIK1" "Kinase" "P57059" "SIK1" "SIK1_HUMAN" 7.41 "Kd" "Binding constant for SIK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Srms" "Kinase" "Q9H3Y6" "SRMS" "SRMS_HUMAN" 5.3 "Kd" "Binding constant for SRMS kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual specificity testis-specific protein kinase 1" "Kinase" "Q15569" "TESK1" "TESK1_HUMAN" 5.5 "Kd" "Binding constant for TESK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Ephrin type-A receptor 1" "Kinase" "P21709" "EPHA1" "EPHA1_HUMAN" 6.14 "Kd" "Binding constant for EPHA1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PLK3" "Kinase" "Q9H4B4" "PLK3" "PLK3_HUMAN" 5.8 "Kd" "Binding constant for PLK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase 6" "Kinase" "Q16659" "MAPK6" "MK06_HUMAN" 5.92 "Kd" "Binding constant for ERK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase 7" "Kinase" "Q13164" "MAPK7" "MK07_HUMAN" 7.18 "Kd" "Binding constant for ERK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase 15" "Kinase" "Q8TD08" "MAPK15" "MK15_HUMAN" 6.29 "Kd" "Binding constant for ERK8 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase D3" "Kinase" "O94806" "PRKD3" "KPCD3_HUMAN" 5.02 "Kd" "Binding constant for PRKD3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "cGMP-dependent protein kinase 2" "Kinase" "Q13237" "PRKG2" "KGP2_HUMAN" 5.8 "Kd" "Binding constant for PRKG2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Interferon-induced, double-stranded RNA-activated protein kinase" "Kinase" "P19525" "EIF2AK2" "E2AK2_HUMAN" 5.96 "Kd" "Binding constant for PRKR kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Receptor-interacting serine/threonine-protein kinase 1" "Kinase" "Q13546" "RIPK1" "RIPK1_HUMAN" 5.28 "Kd" "Binding constant for RIPK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase Fes/Fps" "Kinase" "P07332" "FES" "FES_HUMAN" 6.28 "Kd" "Binding constant for FES kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 5.7 "Kd" "Binding constant for FGFR4 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 6.22 "Kd" "Binding constant for ROS1 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Ribosomal protein S6 kinase alpha-1" "Kinase" "Q15418" "RPS6KA1" "KS6A1_HUMAN" 6.38 "Kd" "Binding constant for RSK1(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Ribosomal protein S6 kinase alpha-4" "Kinase" "O75676" "RPS6KA4" "KS6A4_HUMAN" 6.85 "Kd" "Binding constant for RPS6KA4(Kin.Dom.2-C-terminal) kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 5.12 "Kd" "Binding constant for PIK3CG kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase kinase 2" "Kinase" "Q12851" "MAP4K2" "M4K2_HUMAN" 5.68 "Kd" "Binding constant for MAP4K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Misshapen-like kinase 1" "Kinase" "Q8N4C8" "MINK1" "MINK1_HUMAN" 5.05 "Kd" "Binding constant for MINK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase TBK1" "Kinase" "Q9UHD2" "TBK1" "TBK1_HUMAN" 7.04 "Kd" "Binding constant for TBK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 5.92 "Kd" "Binding constant for IRAK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 6.06 "Kd" "Binding constant for CDK4-cyclinD3 kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase-like 2" "Kinase" "Q92772" "CDKL2" "CDKL2_HUMAN" 5.89 "Kd" "Binding constant for CDKL2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Ephrin type-B receptor 6" "Kinase" "O15197" "EPHB6" "EPHB6_HUMAN" 6.52 "Kd" "Binding constant for EPHB6 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase/endoribonuclease IRE1" "Kinase" "O75460" "ERN1" "ERN1_HUMAN" 5.92 "Kd" "Binding constant for ERN1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "G protein-coupled receptor kinase 4" "Kinase" "P32298" "GRK4" "GRK4_HUMAN" 6.77 "Kd" "Binding constant for GRK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "G protein-coupled receptor kinase 7" "Kinase" "Q8WTQ7" "GRK7" "GRK7_HUMAN" 5.58 "Kd" "Binding constant for GRK7 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Homeodomain-interacting protein kinase 2" "Kinase" "Q9H2X6" "HIPK2" "HIPK2_HUMAN" 6 "Kd" "Binding constant for HIPK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Homeodomain-interacting protein kinase 3" "Kinase" "Q9H422" "HIPK3" "HIPK3_HUMAN" 5.89 "Kd" "Binding constant for HIPK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Homeodomain-interacting protein kinase 4" "Kinase" "Q8NE63" "HIPK4" "HIPK4_HUMAN" 6.66 "Kd" "Binding constant for HIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase ICK" "Kinase" "Q9UPZ9" "ICK" "ICK_HUMAN" 5.72 "Kd" "Binding constant for ICK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Inhibitor of nuclear factor kappa-B kinase subunit alpha" "Kinase" "O15111" "CHUK" "IKKA_HUMAN" 6.08 "Kd" "Binding constant for IKK-alpha kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Interleukin-1 receptor-associated kinase 1" "Kinase" "P51617" "IRAK1" "IRAK1_HUMAN" 6.66 "Kd" "Binding constant for IRAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 13" "Kinase" "O43283" "MAP3K13" "M3K13_HUMAN" 6.23 "Kd" "Binding constant for LZK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 2" "Kinase" "Q9Y2U5" "MAP3K2" "M3K2_HUMAN" 6.24 "Kd" "Binding constant for MAP3K2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 3" "Kinase" "Q99759" "MAP3K3" "M3K3_HUMAN" 5.89 "Kd" "Binding constant for MAP3K3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase 38" "Kinase" "Q15208" "STK38" "STK38_HUMAN" 5.24 "Kd" "Binding constant for NDR1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase NIM1" "Kinase" "Q8IY84" "NIM1K" "NIM1_HUMAN" 5.36 "Kd" "Binding constant for NIM1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase RIO2" "Kinase" "Q9BVS4" "RIOK2" "RIOK2_HUMAN" 5.58 "Kd" "Binding constant for RIOK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "SRSF protein kinase 3" "Kinase" "Q9UPE1" "SRPK3" "SRPK3_HUMAN" 6.77 "Kd" "Binding constant for SRPK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "STE20/SPS1-related proline-alanine-rich protein kinase" "Kinase" "Q9UEW8" "STK39" "STK39_HUMAN" 5.8 "Kd" "Binding constant for STK39 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 7" "Kinase" "O43318" "MAP3K7" "M3K7_HUMAN" 5.51 "Kd" "Binding constant for TAK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase TAO1" "Kinase" "Q7L7X3" "TAOK1" "TAOK1_HUMAN" 5.89 "Kd" "Binding constant for TAOK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase TAO3" "Kinase" "Q9H2K8" "TAOK3" "TAOK3_HUMAN" 5.72 "Kd" "Binding constant for TAOK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase ULK1" "Kinase" "O75385" "ULK1" "ULK1_HUMAN" 6.57 "Kd" "Binding constant for ULK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase ULK2" "Kinase" "Q8IYT8" "ULK2" "ULK2_HUMAN" 7.1 "Kd" "Binding constant for ULK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase ULK3" "Kinase" "Q6PHR2" "ULK3" "ULK3_HUMAN" 6.54 "Kd" "Binding constant for ULK3 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 19" "Kinase" "Q56UN5" "MAP3K19" "M3K19_HUMAN" 7.72 "Kd" "Binding constant for YSK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Homeodomain-interacting protein kinase 1" "Kinase" "Q86Z02" "HIPK1" "HIPK1_HUMAN" 6.07 "Kd" "Binding constant for HIPK1 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PLK2" "Kinase" "Q9NYY3" "PLK2" "PLK2_HUMAN" 5.62 "Kd" "Binding constant for PLK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Receptor-interacting serine/threonine-protein kinase 4" "Kinase" "P57078" "RIPK4" "RIPK4_HUMAN" 5.01 "Kd" "Binding constant for RIPK4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Uncharacterized serine/threonine-protein kinase SBK3" "Kinase" "P0C264" "SBK3" "SBK3_HUMAN" 5.54 "Kd" "Binding constant for SgK110 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "fedratinib" 5347 "Cyclin-dependent kinase-like 5" "Kinase" "O76039" "CDKL5" "CDKL5_HUMAN" 5.14 "Kd" "Binding constant for CDKL5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Megakaryocyte-associated tyrosine-protein kinase" "Kinase" "P42679" "MATK" "MATK_HUMAN" 5.77 "Kd" "Binding constant for CTK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Phosphatidylinositol 4-kinase beta" "Kinase" "Q9UBF8" "PI4KB" "PI4KB_HUMAN" 5.77 "Kd" "Binding constant for PIK4CB kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase SIK3" "Kinase" "Q9Y2K2" "SIK3" "SIK3_HUMAN" 5.72 "Kd" "Binding constant for QSK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Wee1-like protein kinase 2" "Kinase" "P0C1S8" "WEE2" "WEE2_HUMAN" 5.22 "Kd" "Binding constant for WEE2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Bone morphogenetic protein receptor type-1B" "Kinase" "O00238" "BMPR1B" "BMR1B_HUMAN" 6.39 "Kd" "Binding constant for BMPR1B kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase SBK1" "Kinase" "Q52WX2" "SBK1" "SBK1_HUMAN" 6.1 "Kd" "Binding constant for SBK1 kinase domain" "CHEMBL" "=" "Tdark" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek3" "Kinase" "P51956" "NEK3" "NEK3_HUMAN" 6.19 "Kd" "Binding constant for NEK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Peripheral plasma membrane protein CASK" "Kinase" "O14936" "CASK" "CSKP_HUMAN" 5.55 "Kd" "Binding constant for CASK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PRP4 homolog" "Kinase" "Q13523" "PRPF4B" "PRP4B_HUMAN" 6.41 "Kd" "Binding constant for PRP4 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Mitogen-activated protein kinase kinase kinase 12" "Kinase" "Q12852" "MAP3K12" "M3K12_HUMAN" 5.2 "Kd" "Binding constant for DLK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Sgk3" "Kinase" "Q96BR1" "SGK3" "SGK3_HUMAN" 5.6 "Kd" "Binding constant for SGK3 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Eukaryotic translation initiation factor 2-alpha kinase 1" "Kinase" "Q9BQI3" "EIF2AK1" "E2AK1_HUMAN" 6 "Kd" "Binding constant for EIF2AK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase TAO2" "Kinase" "Q9UL54" "TAOK2" "TAOK2_HUMAN" 6.12 "Kd" "Binding constant for TAOK2 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "SNF-related serine/threonine-protein kinase" "Kinase" "Q9NRH2" "SNRK" "SNRK_HUMAN" 6.64 "Kd" "Binding constant for SNRK kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma" "Kinase" "Q8TBX8" "PIP4K2C" "PI42C_HUMAN" 5.39 "Kd" "Binding constant for PIP5K2C kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Dual specificity mitogen-activated protein kinase kinase 5" "Kinase" "Q13163" "MAP2K5" "MP2K5_HUMAN" 6.44 "Kd" "Binding constant for MEK5 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek11" "Kinase" "Q8NG66" "NEK11" "NEK11_HUMAN" 5.92 "Kd" "Binding constant for NEK11 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Myosin light chain kinase 3" "Kinase" "Q32MK0" "MYLK3" "MYLK3_HUMAN" 5.01 "Kd" "Binding constant for MLCK kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Leucine-rich repeat serine/threonine-protein kinase 2" "Kinase" "Q5S007" "LRRK2" "LRRK2_HUMAN" 6.06 "Kd" "Binding constant for LRRK2 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Dual serine/threonine and tyrosine protein kinase" "Kinase" "Q6XUX3" "DSTYK" "DUSTY_HUMAN" 5.77 "Kd" "Binding constant for RIPK5 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Calcium-dependent protein kinase 1" "Kinase" "P62344" "CPK1" "CDPK1_PLAF7" 5.92 "Kd" "Binding constant for PFCDPK1(P.falciparum) kinase domain" "CHEMBL" "=" "Plasmodium falciparum" "fedratinib" 5347 "Bromodomain-containing protein 4" "Unclassified" "O60885" "BRD4" "BRD4_HUMAN" 6.79 "Kd" "Binding affinity to recombinant human His6-TEV protease-tagged BRD4 bromodomain 1 expressed in bacteria by isothermal titration calorimetric method" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase PknB" "Kinase" "P9WI81" "pknB" "PKNB_MYCTU" 7 "Kd" "Binding constant for PKNB(M.tuberculosis) kinase domain" "CHEMBL" "=" "Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)" "fedratinib" 5347 "Serine/threonine-protein kinase Nek6" "Kinase" "Q9HC98" "NEK6" "NEK6_HUMAN" 6.92 "Kd" "Binding constant for NEK6 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "cGMP-dependent protein kinase 1" "Kinase" "Q13976" "PRKG1" "KGP1_HUMAN" 5.42 "Kd" "Binding constant for PRKG1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek4" "Kinase" "P51957" "NEK4" "NEK4_HUMAN" 5.8 "Kd" "Binding constant for NEK4 kinase domain" "CHEMBL" "=" "Tbio" "Homo sapiens" "fedratinib" 5347 "Bromodomain testis-specific protein" "Unclassified" "Q58F21" "BRDT" "BRDT_HUMAN" 6.47 "IC50" "Inhibition of N-terminal 6His-tagged human BRDT bromodomain 1 (21 to 137 residues) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H4 peptide (1 to 21 residues) containing KAc (K5/8/12/16Ac) as substrate by Alpha screen assay" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Serine/threonine-protein kinase Nek1" "Kinase" "Q96PY6" "NEK1" "NEK1_HUMAN" 5.47 "Kd" "Binding constant for NEK1 kinase domain" "CHEMBL" "=" "Tchem" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 5.99 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/18394554" "INHIBITOR" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 6.97 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/18394554" "INHIBITOR" "Tclin" "Homo sapiens" "fedratinib" 5347 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.39 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/18394554" "INHIBITOR" "Tclin" "Homo sapiens" "fedratinib" 5347 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.82 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/18394554" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212327s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "fedratinib" 5347 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 8.52 "IC50" "wild type JAK2" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/18394554" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212327s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tenapanor" 5349 "Sodium/hydrogen exchanger 3" "Transporter" "P26433" "Slc9a3" "SL9A3_RAT" 8.2 "IC50" "Inhibition of rat NHE3-mediated sodium-dependant hydrogen ion antiport in Opossum kidney cells preincubated for 60 mins in NaCl-HEPES buffer followed by compound washout with NH4Cl-HEPES buffer containing BCECF-AM dye and subsequent washout with Na+ free HEPES buffer by fluorescence analysis" "CHEMBL" "=" "Rattus norvegicus" "tenapanor" 5349 "Sodium/hydrogen exchanger 3" "Transporter" "P48764" "SLC9A3" "SL9A3_HUMAN" 9.06 "IC50" "wild type" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/28495802" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211801s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "trifarotene" 5350 "Retinoic acid receptor alpha" "Nuclear hormone receptor" "P10276" "RARA" "RARA_HUMAN" 6.3 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/29706423" "AGONIST" "Tclin" "Homo sapiens" "trifarotene" 5350 "Retinoic acid receptor beta" "Nuclear hormone receptor" "P10826" "RARB" "RARB_HUMAN" 6.9 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/29706423" "AGONIST" "Tclin" "Homo sapiens" "trifarotene" 5350 "Retinoic acid receptor gamma" "Nuclear hormone receptor" "P13631" "RARG" "RARG_HUMAN" 8.11 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/29706423" "https://pubmed.ncbi.nlm.nih.gov/29706423" "AGONIST" "Tclin" "Homo sapiens" "lasmiditan" 5351 "5-hydroxytryptamine receptor 1F" "GPCR" "P30939" "HTR1F" "5HT1F_HUMAN" 8.65 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/20855361" "https://pubmed.ncbi.nlm.nih.gov/20855361" "AGONIST" "Tclin" "Homo sapiens" "cefiderocol" 5352 "Peptidoglycan synthase FtsI" "Enzyme" "P0AD68" "ftsI" "FTSI_ECOLI" 7.4 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" "cefiderocol" 5352 "Penicillin-binding protein 1A" "Enzyme" "Q07806" "mrcA" "PBPA_PSEAE" 6.07 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)" "cefiderocol" 5352 "Penicillin-binding protein 1A" "Enzyme" "P02918" "mrcA" "PBPA_ECOLI" 5.48 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" "cefiderocol" 5352 "Penicillin-binding protein 1B" "Enzyme" "P02919" "mrcB" "PBPB_ECOLI" 5.47 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli (strain K12)" "cefiderocol" 5352 "Penicillin-binding protein 1A" "Enzyme" "G1C775" "ponA" "G1C775_ACIBA" 5.98 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Acinetobacter baumannii" "cefiderocol" 5352 "Penicillin-binding protein 1B" "Enzyme" "A6T4V3" "mrcB" "A6T4V3_KLEP7" 5.46 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae subsp. pneumoniae (strain ATCC 700721 / MGH 78578)" "cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase MrdA" "Enzyme" "H4I819" "mrdA" "H4I819_ECOLX" 5.66 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Escherichia coli DEC1B" "cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase MrdA" "Enzyme" "A0A0W8ASI8" "mrdA" "A0A0W8ASI8_KLEPN" 7.2 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae" "cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase FtsI" "Enzyme" "A6T4M7" "ftsI" "A6T4M7_KLEP7" 7.21 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae subsp. pneumoniae (strain ATCC 700721 / MGH 78578)" "cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase FtsI" "Enzyme" "G3XD46" "ftsI" "FTSI_PSEAE" 7.22 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)" "cefiderocol" 5352 "Peptidoglycan D,D-transpeptidase FtsI" "Enzyme" "D0CCM7" "ftsI" "D0CCM7_ACIB2" 6.17 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Acinetobacter baumannii (strain ATCC 19606 / DSM 30007 / CIP 70.34 / JCM 6841 / NBRC 109757 / NCIMB 12457 / NCTC 12156 / 81)" "cefiderocol" 5352 "Penicillin-binding protein 4" "Enzyme" "A0A5E6DR09" "pbpD_1" "A0A5E6DR09_KLEPN" 5.44 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29061741" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209445s000lbl.pdf" "INHIBITOR" "Klebsiella pneumoniae" "zanubrutinib" 5353 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 9.52 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31381333" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/213217s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "givosiran" 5354 "aminolevulinate synthase1 (ALAS1) mRNA" "RNA" "P13196" "ALAS1" "HEM1_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/0212194s000lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" "cenobamate" 5355 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 4.38 "EC50" "Allosteric modulation of GABA-activated human α4β3γ2 GABAA channels expressed in HEK cells." "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "cenobamate" 5355 "Gamma-aminobutyric acid receptor subunit alpha-6" "Ion channel" "Q16445" "GABRA6" "GBRA6_HUMAN" 4.24 "EC50" "Allosteric modulation of GABA-activated human α6β3γ2 GABAA channels expressed in HEK cells." "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "cenobamate" 5355 "Gamma-aminobutyric acid receptor subunit alpha-4" "Ion channel" "P48169" "GABRA4" "GBRA4_HUMAN" 4.38 "EC50" "Allosteric modulation of GABA-activated human α4β3γ2 GABAA channels expressed in HEK cells." "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "cenobamate" 5355 "Gamma-aminobutyric acid receptor subunit alpha-6" "Ion channel" "Q16445" "GABRA6" "GBRA6_HUMAN" 4.24 "EC50" "Allosteric modulation of GABA-activated human α6β3γ2 GABAA channels expressed in HEK cells." "IUPHAR" "=" "ALLOSTERIC MODULATOR" "Tclin" "Homo sapiens" "voxelotor" 5356 "Cytochrome P450 3A4" "Enzyme" "P08684" "CYP3A4" "CP3A4_HUMAN" 4.9 "IC50" "Measuring inhibition of CYP3A4 activity using testosterone as substrate." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "voxelotor" 5356 "Cytochrome P450 2C8" "Enzyme" "P10632" "CYP2C8" "CP2C8_HUMAN" 5.1 "IC50" "Measuring inhibition of CYP2C8 activity using paclitaxel as substrate." "IUPHAR" "=" "INHIBITOR" "Tbio" "Homo sapiens" "voxelotor" 5356 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.07 "IC50" "Measuring inhibition of CYP2C9 activity using tolbutamide as substrate." "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "voxelotor" 5356 "hemoglobin subunit alpha" "Transporter" "P69905" "HBA1" "HBA_HUMAN" 5.09 "EC50" "Hemoglobin S differs from hemoglobin A only by a single amino acid substitution: a valine replaces a glutamine in the 6th position of the beta chain of globin; forms a reversible covalent bond with the N‐terminal valine of the α chain of HbS." "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27378309" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/213137s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "golodirsen" 5357 "exon 53 of dystrophin pre-mRNA" "RNA" "P11532" "DMD" "DMD_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211970s000lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" "lumateperone" 5358 "5-hydroxytryptamine receptor 1A" "GPCR" "P08908" "HTR1A" "5HT1A_HUMAN" 5.83 "Ki" "Inhibition of human 5HT1A receptor" "CHEMBL" "=" "Tclin" "Homo sapiens" "lumateperone" 5358 "5-hydroxytryptamine receptor 2C" "GPCR" "P28335" "HTR2C" "5HT2C_HUMAN" 6.76 "Ki" "Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells" "CHEMBL" "=" "Tclin" "Homo sapiens" "lumateperone" 5358 "Alpha-1A adrenergic receptor" "GPCR" "P35348" "ADRA1A" "ADA1A_HUMAN" 7.14 "Ki" "Inhibition of adrenergic alpha1A receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "lumateperone" 5358 "D(4) dopamine receptor" "GPCR" "P21917" "DRD4" "DRD4_HUMAN" 6.97 "Ki" "Inhibition of human dopamine D4 receptor" "CHEMBL" "=" "Tchem" "Homo sapiens" "lumateperone" 5358 "Alpha-1B adrenergic receptor" "GPCR" "P35368" "ADRA1B" "ADA1B_HUMAN" 7.51 "Ki" "Inhibition of adrenergic alpha1B receptor (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "lumateperone" 5358 "D(2) dopamine receptor" "GPCR" "P61169" "Drd2" "DRD2_RAT" 7.5 "Ki" "Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells" "CHEMBL" "=" "Rattus norvegicus" "lumateperone" 5358 "D(1A) dopamine receptor" "GPCR" "P21728" "DRD1" "DRD1_HUMAN" 7.38 "Ki" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "lumateperone" 5358 "Sodium-dependent serotonin transporter" "Transporter" "P31645" "SLC6A4" "SC6A4_HUMAN" 7.48 "Ki" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "Tclin" "Homo sapiens" "lumateperone" 5358 "D(2) dopamine receptor" "GPCR" "P14416" "DRD2" "DRD2_HUMAN" 7.49 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "lumateperone" 5358 "5-hydroxytryptamine receptor 2A" "GPCR" "P28223" "HTR2A" "5HT2A_HUMAN" 9.26 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/209500s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "brilliant Blue G" 5359 "P2X purinoceptor 7" "Ion channel" "Q99572" "P2RX7" "P2RX7_HUMAN" 8 "IC50" "IUPHAR" "=" "ANTAGONIST" "Tchem" "Homo sapiens" "brilliant Blue G" 5359 "Alpha-synuclein" "Transporter" "P37840" "SNCA" "SYUA_HUMAN" 5.27 "IC50" "Inhibition of wild type alpha-synuclein (unknown origin) aggregation expressed in Escherichia coli BL21 after 30 days by thioflavin T staining-based spectrofluorimetric analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "lemborexant" 5360 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.21 "IC50" "Inhibition of human ERG" "CHEMBL" "=" "Tclin" "Homo sapiens" "lemborexant" 5360 "Orexin receptor type 1" "GPCR" "O43613" "HCRTR1" "OX1R_HUMAN" 8.22 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "lemborexant" 5360 "Orexin receptor type 2" "GPCR" "O43614" "HCRTR2" "OX2R_HUMAN" 8.52 "Ki" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212028s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "ubrogepant" 5361 "Calcitonin gene-related peptide type 1 receptor" "GPCR" "Q16602" "CALCRL" "CALRL_HUMAN" 10.2 "Ki" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/211765s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "romosozumab" 5362 "Sclerostin" "Glycoprotein" "Q9BQB4" "SOST" "SOST_HUMAN" 11.7 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761062s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "brolucizumab" 5363 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" 8.8 "Kd" "binds to the three major isoforms of VEGF-A" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761125s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "luspatercept" 5364 "Growth/differentiation factor 11" "Cytokine" "O95390" "GDF11" "GDF11_HUMAN" 10.13 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24658078" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761136lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "luspatercept" 5364 "Growth/differentiation factor 8" "Cytokine" "O14793" "MSTN" "GDF8_HUMAN" 9.69 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24658078" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761136lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "crizanlizumab" 5365 "P-selectin" "Adhesion" "P16109" "SELP" "LYAM3_HUMAN" 5.59 "IC50" "ex-vivo determination published in FDA's Multi-Discipline Review of BLA 761128" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761128s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761128s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "enfortumab vedotin" 5366 "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" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761137s000lbl.pdf" "BINDING AGENT" "Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|Tclin|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" "enfortumab vedotin" 5366 "Nectin-4" "Tumour-associated antigen" "Q96NY8" "NECTIN4" "NECT4_HUMAN" 10.24 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27013195" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761137s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "trastuzumab deruxtecan" 5367 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.13 "Kd" "HER2-specific cell growth inhibition" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27026201" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761139s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "trastuzumab deruxtecan" 5367 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" 7.51 "IC50" "cell-free DNA topoisomerase I inhibitory activity of DXd component" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27026201" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/761139s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "botulinum toxin type A" 5368 "Synaptosomal-associated protein 25" "Cytosolic other" "P60880" "SNAP25" "SNP25_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/8103915" "BLOCKER" "Tclin" "Homo sapiens" "roxadustat" 5371 "Alpha-ketoglutarate-dependent dioxygenase FTO" "Unclassified" "Q9C0B1" "FTO" "FTO_HUMAN" 5.01 "IC50" "Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as inhibition of 3-methylthymidine conversion to thymidine after 1 hr by liquid chromatographic analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "roxadustat" 5371 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 4.54 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/29856623" "https://pubmed.ncbi.nlm.nih.gov/30805897" "INHIBITOR" "Tclin" "Homo sapiens" "roxadustat" 5371 "Egl nine homolog 2" "Enzyme" "Q96KS0" "EGLN2" "EGLN2_HUMAN" 5.24 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/29856623" "https://pubmed.ncbi.nlm.nih.gov/30805897" "INHIBITOR" "Tclin" "Homo sapiens" "roxadustat" 5371 "Egl nine homolog 3" "Enzyme" "Q9H6Z9" "EGLN3" "EGLN3_HUMAN" 5.18 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/29856623" "https://pubmed.ncbi.nlm.nih.gov/30805897" "INHIBITOR" "Tclin" "Homo sapiens" "elexacaftor" 5372 "Cystic fibrosis transmembrane conductance regulator" "Ion channel" "P13569" "CFTR" "CFTR_HUMAN" 7.15 "EC50" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/212273s000lbl.pdf" "Tclin" "Homo sapiens" "cepharanthine" 5375 "Trypanothione reductase" "Enzyme" "P28593" "TPR" "TYTR_TRYCR" 5.12 "Ki" "Inhibition of Trypanosoma cruzi recombinant trypanothione reductase" "CHEMBL" "=" "Trypanosoma cruzi" "cepharanthine" 5375 "5'-AMP-activated protein kinase catalytic subunit alpha-1" "Kinase" "Q13131" "PRKAA1" "AAPK1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31132753" "INHIBITOR" "Tclin" "Homo sapiens" "cepharanthine" 5375 "Nuclear factor NF-kappa-B p105 subunit" "Cytosolic other" "P19838" "NFKB1" "NFKB1_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31132753" "INHIBITOR" "Tclin" "Homo sapiens" "remdesivir" 5376 "Replicase polyprotein 1ab" "Enzyme" "P0DTD1" "REP" "R1AB_SARS2" 8.52 "EC50" "SARS-CoV-2 RNA-dependent RNA polymerase" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32668216" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/214787Orig1s000lbl.pdf" "INHIBITOR" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "mefuparib" 5378 "Poly [ADP-ribose] polymerase 2" "Enzyme" "Q9UGN5" "PARP2" "PARP2_HUMAN" 8.72 "IC50" "biotinylated [NAD+]-based luminescence assays" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/27926532" "INHIBITOR" "Tclin" "Homo sapiens" "mefuparib" 5378 "Poly [ADP-ribose] polymerase 1" "Enzyme" "P09874" "PARP1" "PARP1_HUMAN" 8.49 "IC50" "biotinylated [NAD+]-based luminescence assays" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/27926532" "INHIBITOR" "Tclin" "Homo sapiens" "avapritinib" 5379 "Mast/stem cell growth factor receptor Kit" "Kinase" "P05532" "Kit" "KIT_MOUSE" 7.66 "IC50" "Inhibition of KIT D816Y mutant autophosphorylation in P815 cell line" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/29093181" "INHIBITOR" "Tclin" "Mus musculus" "avapritinib" 5379 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 9.57 "IC50" "KIT D816V (exon 17)" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29093181" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212608s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "avapritinib" 5379 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 9.62 "IC50" "PDGFRA D842V (exon 18) mutant" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29093181" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212608s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tazemetostat" 5380 "Polycomb protein EED" "Unclassified" "O75530" "EED" "EED_HUMAN" 8.7 "IC50" "Inhibition of recombinant N-terminal GST-tagged EED (76 to 441 residues) (unknown origin) expressed in Escherichia coli BL21-CodonPlus(DE3)-RIL assessed as reduction in SAH production using H3[21-44,K27Me0) peptide as substrate measured after 20 mins by LC/MS/MS method" "CHEMBL" "=" "Tbio" "Homo sapiens" "tazemetostat" 5380 "Histone-lysine N-methyltransferase EZH1" "Enzyme" "Q92800" "EZH1" "EZH1_HUMAN" 6.41 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211723s000lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "tazemetostat" 5380 "Histone-lysine N-methyltransferase EZH2" "Enzyme" "Q15910" "EZH2" "EZH2_HUMAN" 7.96 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211723s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211723s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "rimegepant" 5381 "Calcitonin gene-related peptide type 1 receptor" "GPCR" "Q16602" "CALCRL" "CALRL_HUMAN" 10.56 "Ki" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/23153230" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212728s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "bempedoic acid" 5382 "ATP-citrate synthase" "Enzyme" "P53396" "ACLY" "ACLY_HUMAN" 5.69 "Ki" "Inhibition of ACL by ETC-1002-CoA" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/27892461" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/211616s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ozanimod" 5383 "Sphingosine 1-phosphate receptor 4" "GPCR" "O95977" "S1PR4" "S1PR4_HUMAN" 5.38 "EC50" "Agonist activity at human S1P4 expressed in bla TANGO U2OS cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "ozanimod" 5383 "Sphingosine 1-phosphate receptor 3" "GPCR" "Q99500" "S1PR3" "S1PR3_HUMAN" 5 "EC50" "Agonist activity at human S1P3 Galpha5 expressed in NFAT-bla HEK293T cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs" "CHEMBL" "=" "Tclin" "Homo sapiens" "ozanimod" 5383 "Sphingosine 1-phosphate receptor 2" "GPCR" "O95136" "S1PR2" "S1PR2_HUMAN" 5.02 "EC50" "Agonist activity at human S1P2 expressed in CRE-bla CHOK1 cells assessed as inhibition of cAMP formation preincubated for 4 hrs followed by FRET-based beta-lactamase fluorescent substrate addition measured after 2 hrs" "CHEMBL" "=" "Tchem" "Homo sapiens" "ozanimod" 5383 "Sphingosine 1-phosphate receptor 1" "GPCR" "P21453" "S1PR1" "S1PR1_HUMAN" 9.39 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26990079" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "ozanimod" 5383 "Sphingosine 1-phosphate receptor 5" "GPCR" "Q9H228" "S1PR5" "S1PR5_HUMAN" 7.96 "EC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/26990079" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "osilodrostat" 5384 "Aromatase" "Enzyme" "P11511" "CYP19A1" "CP19A_HUMAN" 6.07 "IC50" "Inhibition of CYP19 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "osilodrostat" 5384 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P15539" "Cyp11b2" "C11B2_MOUSE" 6.68 "IC50" "Inhibition of mouse CYP11B2 expressed in renal leiomyoblastoma cells" "CHEMBL" "=" "Mus musculus" "osilodrostat" 5384 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15393" "Cyp11b1" "C11B1_RAT" 6.3 "IC50" "Inhibition of rat recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay" "CHEMBL" "=" "Rattus norvegicus" "osilodrostat" 5384 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P30099" "Cyp11b2" "C11B2_RAT" 6.96 "IC50" "Inhibition of rat recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay" "CHEMBL" "=" "Rattus norvegicus" "osilodrostat" 5384 "Cytochrome P450 11B2, mitochondrial" "Enzyme" "P19099" "CYP11B2" "C11B2_HUMAN" 9.15 "IC50" "SCIENTIFIC LITERATURE" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212801s000lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "osilodrostat" 5384 "Cytochrome P450 11B1, mitochondrial" "Enzyme" "P15538" "CYP11B1" "C11B1_HUMAN" 8.6 "IC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212801s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212801s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "isatuximab" 5385 "Lymphocyte differentiation antigen CD38" "Tumour-associated antigen" "P28907" "CD38" "CD38_HUMAN" 9.7 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24987056" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761113s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "eptinezumab" 5386 "Calcitonin gene-related peptide 1" "GPCR" "P06881" "CALCA" "CALCA_HUMAN" 10.82 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761119Orig1s000OtherR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761119s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "eptinezumab" 5386 "Calcitonin gene-related peptide 2" "GPCR" "P10092" "CALCB" "CALCB_HUMAN" 10.24 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761119Orig1s000OtherR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761119s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "teprotumumab" 5387 "Insulin-like growth factor 1 receptor" "Kinase" "P08069" "IGF1R" "IGF1R_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20847162" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761143s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "selumetinib" 5388 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 5.66 "Kd" "Binding constant for EGFR(T790M) kinase domain" "CHEMBL" "=" "Tclin" "Homo sapiens" "selumetinib" 5388 "Dual specificity mitogen-activated protein kinase kinase 1" "Kinase" "Q02750" "MAP2K1" "MP2K1_HUMAN" 7.85 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17332304" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213756s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "selumetinib" 5388 "Dual specificity mitogen-activated protein kinase kinase 2" "Kinase" "P36507" "MAP2K2" "MP2K2_HUMAN" 7.85 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17332304" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213756s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tucatinib" 5389 "Epidermal growth factor receptor" "Kinase" "P00533" "EGFR" "EGFR_HUMAN" 6.35 "IC50" "Inhibition of enzyme activity in a biochemical assay." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tucatinib" 5389 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 6.5 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/32241871" "INHIBITOR" "Tclin" "Homo sapiens" "tucatinib" 5389 "ERBB2/ERBB3" "Kinase" "P04626|P21860" "ERBB2|ERBB3" "ERBB2_HUMAN|ERBB3_HUMAN" 8.16 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32241871" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213411s000lbl.pdf" "INHIBITOR" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "pemigatinib" 5390 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 7.52 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/32315352" "INHIBITOR" "Tclin" "Homo sapiens" "pemigatinib" 5390 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 9 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32315352" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213736s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pemigatinib" 5390 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 9.4 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32315352" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213736s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pemigatinib" 5390 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 9.3 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32315352" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213736s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "sacituzumab govitecan" 5391 "IgG receptor FcRn large subunit p51" "Membrane receptor" "P55899" "FCGRT" "FCGRN_HUMAN" 6.71 "Kd" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761115Orig1s000MultidisciplineR.pdf" "ANTIBODY BINDING" "Tchem" "Homo sapiens" "sacituzumab govitecan" 5391 "DNA topoisomerase 1" "Enzyme" "P11387" "TOP1" "TOP1_HUMAN" "SN-38 binds to topoisomerase I and induces DNA damage" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761115Orig1s000MultidisciplineR.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "sacituzumab govitecan" 5391 "Tumor-associated calcium signal transducer 2" "Tumour-associated antigen" "P09758" "TACSTD2" "TACD2_HUMAN" 9.58 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761115Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761115Orig1s000MultidisciplineR.pdf" "ANTIBODY BINDING" "Tbio" "Homo sapiens" "capmatinib" 5392 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 9.88 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/21918175" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213591s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "selpercatinib" 5393 "Aurora kinase B" "Kinase" "Q96GD4" "AURKB" "AURKB_HUMAN" 7.1 "IC50" "In vitro kinase profiling assays" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213246Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "selpercatinib" 5393 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 7.76 "IC50" "In vitro kinase profiling assays" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213246Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213246s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ripretinib" 5394 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 8.05 "IC50" "In vitro kinase binding assay" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213973Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ripretinib" 5394 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 8.47 "IC50" "In vitro kinase binding assay" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213973Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ripretinib" 5394 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.91 "IC50" "In vitro kinase binding assay" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213973Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ripretinib" 5394 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 8.27 "IC50" "In vitro kinase binding assay" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213973Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ripretinib" 5394 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 8.52 "IC50" "Wild type kinase" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31085175" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213973s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "ripretinib" 5394 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 8.44 "IC50" "Wild type kinase" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/31085175" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213973s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "fluoroestradiol F 18" 5395 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 10.07 "IC50" "Activity determined in an ER-positive human breast cancer cell line" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212155s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212155s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "flortaucipir F 18" 5396 "Microtubule-associated protein tau" "Structural" "P10636" "MAPT" "TAU_HUMAN" 9.24 "Kd" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212123s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212123s000lbl.pdf" "BINDING AGENT" "Tchem" "Homo sapiens" "inebilizumab" 5397 "Low affinity immunoglobulin gamma Fc region receptor III-A" "Membrane receptor" "P08637" "FCGR3A" "FCG3A_HUMAN" 7.11 "Kd" "Receptor variant V158" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20605905" "ANTIBODY BINDING" "Tbio" "Homo sapiens" "inebilizumab" 5397 "B-lymphocyte antigen CD19" "Surface antigen" "P15391" "CD19" "CD19_HUMAN" 9.8 "Kd" "IUPHAR" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761142s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "remimazolam" 5400 "GABA A receptor alpha-3/beta-2/gamma-2" "Ion channel" "P18508|P20236|P63138" "Gabrg2|Gabra3|Gabrb2" "GBRG2_RAT|GBRA3_RAT|GBRB2_RAT" 6.04 "EC50" "Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17585216" "MODULATOR" "Rattus norvegicus" "remimazolam" 5400 "GABA-A receptor; alpha-1/beta-2/gamma-2" "Ion channel" "P18508|P62813|P63138" "Gabrg2|Gabra1|Gabrb2" "GBRG2_RAT|GBRA1_RAT|GBRB2_RAT" 6.44 "EC50" "Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17585216" "MODULATOR" "Rattus norvegicus" "remimazolam" 5400 "GABA A receptor alpha-2/beta-2/gamma-2" "Ion channel" "P18508|P23576|P63138" "Gabrg2|Gabra2|Gabrb2" "GBRG2_RAT|GBRA2_RAT|GBRB2_RAT" 6.18 "EC50" "Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17585216" "MODULATOR" "Rattus norvegicus" "remimazolam" 5400 "GABA A receptor alpha-5/beta-2/gamma-2" "Ion channel" "P19969|P63138|P18508" "Gabra5|Gabrb2|Gabrg2" "GBRA5_RAT|GBRB2_RAT|GBRG2_RAT" 5.86 "EC50" "Enhancement of GABA currents in Ltk cells stably transfected with GABA-A receptor subtypes" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/17585216" "MODULATOR" "Rattus norvegicus" "remimazolam" 5400 "GABA-A receptor; benzodiazepine binding site" "Ion channel" "P14867|P47869|P34903|P31644|Q8N1C3|P18507|Q99928" "GABRA1|GABRA2|GABRA3|GABRA5|GABRG1|GABRG2|GABRG3" "GBRA1_HUMAN|GBRA2_HUMAN|GBRA3_HUMAN|GBRA5_HUMAN|GBRG1_HUMAN|GBRG2_HUMAN|GBRG3_HUMAN" 7.53 "Ki" "Competed for [3H]flunitrazepam binding to tissue homogenates from human cerebral cortex membranes" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/17585216" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212295s000lbl.pdf" "MODULATOR" "Homo sapiens" "fostemsavir" 5401 "Envelope glycoprotein gp160" "Viral envelope protein" "Q75760" "env" "Q75760_9HIV1" 9.08 "Kd" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/22547625" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf" "INHIBITOR" "Human immunodeficiency virus 1" "inqovi" 5402 "Cytidine deaminase" "Enzyme" "P32320" "CDA" "CDD_HUMAN" 6.39 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24520856" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212576s000lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "abametapir" 5403 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 5.64 "EC50" "Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "abametapir" 5403 "C-C chemokine receptor type 1" "GPCR" "P32246" "CCR1" "CCR1_HUMAN" 4.8 "EC50" "Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "abametapir" 5403 "C-C chemokine receptor type 1" "GPCR" "P32246" "CCR1" "CCR1_HUMAN" 4.8 "EC50" "Allosteric modulation at human CCR1 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as {3H]IP3 turnover by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "abametapir" 5403 "C-C chemokine receptor type 5" "GPCR" "P51681" "CCR5" "CCR5_HUMAN" 5.64 "EC50" "Allosteric modulation at human CCR5 transfected in COS7 cells coexpressing chimeric Gqi4myr assessed as [3H]IP3 turnover by liquid scintillation counting analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "abametapir" 5403 "C-C chemokine receptor type 8" "GPCR" "P51685" "CCR8" "CCR8_HUMAN" 5.12 "EC50" "Allosteric modulation at human CCR8 transfected in COS7 cells assessed as [3H]IP3 turnover by liquid scintillation counting analysis" "CHEMBL" "=" "Tchem" "Homo sapiens" "tafasitamab" 5404 "B-lymphocyte antigen CD19" "Surface antigen" "P15391" "CD19" "CD19_HUMAN" 9.39 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761163Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761163s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "belantamab mafodotin" 5405 "IgG receptor FcRn large subunit p51" "Membrane receptor" "P55899" "FCGRT" "FCGRN_HUMAN" 7.28 "Kd" "Fc-receptor binding" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761158Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761158Orig1s000MultidisciplineR.pdf" "BINDING AGENT" "Tchem" "Homo sapiens" "belantamab mafodotin" 5405 "High affinity immunoglobulin gamma Fc receptor I" "Membrane receptor" "P12314" "FCGR1A" "FCGR1_HUMAN" 8.15 "Kd" "Fc-receptor binding" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761158Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761158Orig1s000MultidisciplineR.pdf" "BINDING AGENT" "Tchem" "Homo sapiens" "belantamab mafodotin" 5405 "Low affinity immunoglobulin gamma Fc region receptor III-A" "Membrane receptor" "P08637" "FCGR3A" "FCG3A_HUMAN" 7.55 "Kd" "Fc-receptor binding" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761158Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761158Orig1s000MultidisciplineR.pdf" "BINDING AGENT" "Tbio" "Homo sapiens" "belantamab mafodotin" 5405 "Tumor necrosis factor receptor superfamily member 17" "Tumour-associated antigen" "Q02223" "TNFRSF17" "TNR17_HUMAN" 9 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32936437" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761158s000lbl.pdf" "BINDING AGENT" "Tbio" "Homo sapiens" "oliceridine" 5406 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.33 "IC50" "Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "oliceridine" 5406 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.21 "IC50" "Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "oliceridine" 5406 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 4.44 "IC50" "Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "oliceridine" 5406 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 5.21 "IC50" "Inhibition of human ERG channel expressed in HEK293 cells by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "oliceridine" 5406 "Voltage-dependent L-type calcium channel subunit alpha-1C" "Ion channel" "Q13936" "CACNA1C" "CAC1C_HUMAN" 4.44 "IC50" "Inhibition of human Cav 1.2 ion channel expressed in HEK293 cells by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "oliceridine" 5406 "Sodium channel protein type 5 subunit alpha" "Ion channel" "Q14524" "SCN5A" "SCN5A_HUMAN" 5.33 "IC50" "Inhibition of human Nav 1.5 phasic ion channel expressed in HEK293 cells by whole-cell patch clamp technique" "CHEMBL" "=" "Tclin" "Homo sapiens" "oliceridine" 5406 "Nociceptin receptor" "GPCR" "P41146" "OPRL1" "OPRX_HUMAN" 7.4 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23300227" "AGONIST" "Tchem" "Homo sapiens" "oliceridine" 5406 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 8.22 "Ki" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/210730Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/210730s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "viltolarsen" 5408 "exon 53 of dystrophin pre-mRNA" "RNA" "P11532" "DMD" "DMD_HUMAN" 8.33 "EC50" "Activity determined in rhabdomyosarcoma cells isolated from DMD patients" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212154Orig1s000PharmR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212154Orig1s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "satralizumab" 5409 "Interleukin-6 receptor" "Membrane receptor" "P08887|P40189" "IL6R|IL6ST" "IL6RA_HUMAN|IL6RB_HUMAN" 8.82 "Kd" "The KD values for binding to IL-6R were determined by surface plasmon resonance" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761149Orig1s000PharmR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761149s000lbl.pdf" "ANTAGONIST" "Tclin|Tclin|Tclin|Tclin" "Homo sapiens" "clascoterone" 5410 "Androgen receptor" "Nuclear hormone receptor" "P10275" "AR" "ANDR_HUMAN" 7.3 "IC50" "Activity measured in LNCaP cells" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213433Orig1s000MultidisciplineR.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "copper dotatate Cu-64" 5411 "Somatostatin receptor type 2" "GPCR" "P30874" "SSTR2" "SSR2_HUMAN" 7.69 "Kd" "Activity determined in human embryonic kidney HEK-293 cell line stably expressing human sst2 receptors" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29668724" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213227s000lbl.pdf" "BINDING AGENT" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 7.46 "IC50" "Biochemical assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/29657135" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Platelet-derived growth factor receptor beta" "Kinase" "P09619" "PDGFRB" "PGFRB_HUMAN" 7 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 7.8 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.66 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "High affinity nerve growth factor receptor" "Kinase" "P04629" "NTRK1" "NTRK1_HUMAN" 7.24 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.72 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 7.96 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Epithelial discoidin domain-containing receptor 1" "Kinase" "Q08345" "DDR1" "DDR1_HUMAN" 8.7 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "pralsetinib" 5412 "NT-3 growth factor receptor" "Kinase" "Q16288" "NTRK3" "NTRK3_HUMAN" 8.05 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213721Orig1s000MultidisciplineR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "pralsetinib" 5412 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 9.39 "IC50" "Similar activity values for CCDC6-RET and the following RET mutations: M918T, V804L, V804M" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29657135" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213721s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "somapacitan" 5413 "Growth hormone receptor" "GPCR" "P10912" "GHR" "GHR_HUMAN" 8.04 "Kd" "High affinity interaction site" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32053994" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761156s000lbl.pdf" "Tclin" "Homo sapiens" "lonafarnib" 5414 "GTPase HRas" "Cytosolic other" "P01112" "HRAS" "RASH_HUMAN" 8.72 "IC50" "Measuring inhibition of farnesylation of HRAS by human farnesyltransferase" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "lonafarnib" 5414 "GTPase KRas" "Enzyme" "P01116" "KRAS" "RASK_HUMAN" 8.28 "IC50" "Measuring inhibition of farnesylation of KRAS4B by human farnesyltransferase" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "lonafarnib" 5414 "GTPase NRas" "Enzyme" "P01111" "NRAS" "RASN_HUMAN" 8.55 "IC50" "Measuring inhibition of farnesylation of NRAS by human farnesyltransferase" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "lonafarnib" 5414 "GTPase HRas" "Enzyme" "P01112" "HRAS" "RASH_HUMAN" 8.72 "IC50" "Measuring inhibition of farnesylation of HRAS by human farnesyltransferase" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "lonafarnib" 5414 "GTPase KRas" "Enzyme" "P01116" "KRAS" "RASK_HUMAN" 8.28 "IC50" "Measuring inhibition of farnesylation of KRAS4B by human farnesyltransferase" "IUPHAR" "=" "INHIBITOR" "Tchem" "Homo sapiens" "lonafarnib" 5414 "Protein farnesyltransferase" "Enzyme" "P49354|P49356" "FNTA|FNTB" "FNTA_HUMAN|FNTB_HUMAN" 8.72 "IC50" "Biochemical assay" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/10377218" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213969s000lbl.pdf" "INHIBITOR" "Homo sapiens" "lumasiran" 5415 "Hydroxyacid oxidase 1 (HAO1) mRNA" "RNA" "Q9UJM8" "HAO1" "HAOX1_HUMAN" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/214103lbl.pdf" "ANTISENSE INHIBITOR" "Tchem" "Homo sapiens" "setmelanotide" 5416 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 6.37 "Ki" "" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "setmelanotide" 5416 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 8 "Ki" "" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "setmelanotide" 5416 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" 8.41 "Ki" "" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "setmelanotide" 5416 "Melanocortin receptor 5" "GPCR" "P33032" "MC5R" "MC5R_HUMAN" 6.37 "Ki" "" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "setmelanotide" 5416 "Melanocortin receptor 3" "GPCR" "P41968" "MC3R" "MC3R_HUMAN" 8 "Ki" "" "IUPHAR" "=" "AGONIST" "Tchem" "Homo sapiens" "setmelanotide" 5416 "Melanocyte-stimulating hormone receptor" "GPCR" "Q01726" "MC1R" "MSHR_HUMAN" 8.41 "Ki" "" "IUPHAR" "=" "AGONIST" "Tclin" "Homo sapiens" "setmelanotide" 5416 "Melanocortin receptor 4" "GPCR" "P32245" "MC4R" "MC4R_HUMAN" 8.68 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/213793Orig1s000ClinPharmR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213793Orig1s000RPLlbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "bulevirtide" 5417 "Sodium/bile acid cotransporter" "Transporter" "Q14973" "SLC10A1" "NTCP_HUMAN" 6.49 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.ema.europa.eu/en/documents/assessment-report/hepcludex-epar-public-assessment-report_en.pdf" "https://www.ema.europa.eu/en/documents/product-information/hepcludex-epar-product-information_en.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "imlifidase" 5418 "Immunoglobulin gamma (IgG), heavy chain" "Antibody" "P01857|P01859|P01860|P01861" "IGHG1|IGHG2|IGHG3|IGHG4" "IGHG1_HUMAN|IGHG2_HUMAN|IGHG3_HUMAN|IGHG4_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/33058042" "INHIBITOR" "Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio|Tbio" "Homo sapiens" "filgotinib" 5419 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.07 "IC50" "Inhibition of human ERG expressed in HEK293 cells after 5 mins by automated planar patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.47 "IC50" "Inhibition of human FLT3 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 6.56 "IC50" "Inhibition of human FLT4 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.31 "IC50" "Inhibition of human CSF1R (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Macrophage colony-stimulating factor 1 receptor" "Kinase" "P07333" "CSF1R" "CSF1R_HUMAN" 6.31 "IC50" "Inhibition of human CSF1R (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 6.56 "IC50" "Inhibition of human FLT4 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 6.47 "IC50" "Inhibition of human FLT3 (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Potassium voltage-gated channel subfamily H member 2" "Ion channel" "Q12809" "KCNH2" "KCNH2_HUMAN" 4.07 "IC50" "Inhibition of human ERG expressed in HEK293 cells after 5 mins by automated planar patch clamp method" "CHEMBL" "=" "Tclin" "Homo sapiens" "filgotinib" 5419 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 6.09 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24006460" "INHIBITOR" "Tclin" "Homo sapiens" "filgotinib" 5419 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 7.55 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24006460" "INHIBITOR" "Tclin" "Homo sapiens" "filgotinib" 5419 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 6.94 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/24006460" "INHIBITOR" "Tclin" "Homo sapiens" "filgotinib" 5419 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24006460" "https://www.ema.europa.eu/en/documents/product-information/jyseleca-epar-product-information_en.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "vadadustat" 5420 "Vascular endothelial growth factor A" "Secreted" "P15692" "VEGFA" "VEGFA_HUMAN" 5.12 "EC50" "ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 μM) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.)." "CHEMBL" "=" "Tclin" "Homo sapiens" "vadadustat" 5420 "Hypoxia-inducible factor 1-alpha inhibitor" "Enzyme" "Q9NWT6" "HIF1AN" "HIF1N_HUMAN" 4.54 "IC50" "Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by LC-MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "vadadustat" 5420 "Vascular endothelial growth factor A" "Unclassified" "P15692" "VEGFA" "VEGFA_HUMAN" 5.12 "EC50" "ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,000 cells per well in DMEM (10% FBS, 1% NEAA, 0.1% glutamine). Following overnight incubation, the cells are washed with 100 uL of Opti-MEM (Gibco, Carlsbad, Calif.) to remove serum. Compound in DMSO is serially diluted (beginning with 100 μM) in Opti-MEM and added to the cells. The conditioned media is analyzed for VEGF with a Quantikine human VEGF immunoassay kit (R&D Systems, Minneapolis, Minn.)." "CHEMBL" "=" "Tclin" "Homo sapiens" "vadadustat" 5420 "Prolyl 3-hydroxylase OGFOD1" "Unclassified" "Q8N543" "OGFOD1" "OGFD1_HUMAN" 5.85 "IC50" "Inhibition of recombinant human OGFOD1 using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by MALDI-TOF MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "vadadustat" 5420 "Hypoxia-inducible factor 1-alpha inhibitor" "Unclassified" "Q9NWT6" "HIF1AN" "HIF1N_HUMAN" 4.54 "IC50" "Inhibition of recombinant human FIH using 2OG as substrate and Fe2 as co-factor assessed as hydroxylation incubated for 15 mins in presence of L-ascorbate by LC-MS analysis" "CHEMBL" "=" "Tbio" "Homo sapiens" "vadadustat" 5420 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 7.81 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/32852744" "https://pubmed.ncbi.nlm.nih.gov/32852744" "INHIBITOR" "Tclin" "Homo sapiens" "vadadustat" 5420 "Egl nine homolog 2" "Enzyme" "Q96KS0" "EGLN2" "EGLN2_HUMAN" 7.93 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/32852744" "https://pubmed.ncbi.nlm.nih.gov/32852744" "INHIBITOR" "Tclin" "Homo sapiens" "vadadustat" 5420 "Egl nine homolog 3" "Enzyme" "Q9H6Z9" "EGLN3" "EGLN3_HUMAN" 8.12 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/32852744" "https://pubmed.ncbi.nlm.nih.gov/32852744" "INHIBITOR" "Tclin" "Homo sapiens" "daprodustat" 5421 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 8.46 "IC50" "FRET assay developed to measure human PHD enzymatic activity using as substrate HIF1alpha CODDD" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/28928122" "https://pubmed.ncbi.nlm.nih.gov/32880805" "INHIBITOR" "Tclin" "Homo sapiens" "daprodustat" 5421 "Egl nine homolog 2" "Enzyme" "Q96KS0" "EGLN2" "EGLN2_HUMAN" 8.14 "IC50" "FRET assay developed to measure human PHD enzymatic activity using as substrate HIF1alpha CODDD" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/28928122" "https://pubmed.ncbi.nlm.nih.gov/32880805" "INHIBITOR" "Tclin" "Homo sapiens" "daprodustat" 5421 "Egl nine homolog 3" "Enzyme" "Q9H6Z9" "EGLN3" "EGLN3_HUMAN" 8.26 "IC50" "FRET assay developed to measure human PHD enzymatic activity using as substrate HIF2alpha CODDD" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/28928122" "https://pubmed.ncbi.nlm.nih.gov/32880805" "INHIBITOR" "Tclin" "Homo sapiens" "borofalan (10B)" 5422 "L-type amino acid transporter 1" "Transporter" "Q63016" "Slc7a5" "LAT1_RAT" "DRUG LABEL" 1 "DRUG LABEL" "https://www.pmda.go.jp/files/000237990.pdf" "SUBSTRATE" "Rattus norvegicus" "tirabrutinib hydrochloride" 5423 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.43 "IC50" "Z'-LYTE Kinase Assay: The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptide, Thy 1 phospho-peptide, 5x kinase buffer, ATP, development reagent B, development buffer, and stop reagent), Tyr 1 peptide (Invitrogen), and Btk (Invitrogen) according to the instructions accompanying the kit.First 5 uL/well of either a solution prepared by diluting the test compound in dimethyl sulfoxide (DMSO) or DMSO alone was added to the wells of a 96-well assay plate together with 10 uL/well of substrate/enzyme mixture and allowed to react for 20 minutes at 30° C. The substrate/enzyme mixture solutions were prepared by dilution in kinase buffer (DL-dithiothreitol (DTT; 2.7 mM) and 1.33x kinase buffer) so that the final concentration of Tyr-1 peptide would be 4 uM, and the final concentration of Btk would be 5 nM. Next 5 uL/well of adenosine triphosphate was added (ATP; final concentration 36 uM)." "CHEMBL" "=" "Tclin" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 6.21 "Kd" "Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 6.21 "Kd" "Binding affinity to DNA-tagged recombinant ERBB2 (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis" "CHEMBL" "=" "Tclin" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 6.43 "IC50" "Z'-LYTE Kinase Assay: The measurement of Btk enzyme inhibitory activity was performed using the following reagents: Z'-LYTE Kinase Assay Kit-Tyr 1 (containing Tyr 1 peptide, Thy 1 phospho-peptide, 5x kinase buffer, ATP, development reagent B, development buffer, and stop reagent), Tyr 1 peptide (Invitrogen), and Btk (Invitrogen) according to the instructions accompanying the kit.First 5 uL/well of either a solution prepared by diluting the test compound in dimethyl sulfoxide (DMSO) or DMSO alone was added to the wells of a 96-well assay plate together with 10 uL/well of substrate/enzyme mixture and allowed to react for 20 minutes at 30° C. The substrate/enzyme mixture solutions were prepared by dilution in kinase buffer (DL-dithiothreitol (DTT; 2.7 mM) and 1.33x kinase buffer) so that the final concentration of Tyr-1 peptide would be 4 uM, and the final concentration of Btk would be 5 nM. Next 5 uL/well of adenosine triphosphate was added (ATP; final concentration 36 uM)." "CHEMBL" "=" "Tclin" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Receptor tyrosine-protein kinase erbB-4" "Kinase" "Q15303" "ERBB4" "ERBB4_HUMAN" 7.11 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31953125" "INHIBITOR" "Tclin" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 8.22 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31953125" "INHIBITOR" "Tchem" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Tyrosine-protein kinase Tec" "Kinase" "P42680" "TEC" "TEC_HUMAN" 7.32 "IC50" "Inhibition of TEC was determined using LanthaScreen binding assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31953125" "INHIBITOR" "Tchem" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Tyrosine-protein kinase TXK" "Kinase" "P42681" "TXK" "TXK_HUMAN" 7.04 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31953125" "INHIBITOR" "Tchem" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Tyrosine-protein kinase Blk" "Kinase" "P51451" "BLK" "BLK_HUMAN" 6.52 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31953125" "INHIBITOR" "Tchem" "Homo sapiens" "tirabrutinib hydrochloride" 5423 "Tyrosine-protein kinase BTK" "Kinase" "Q06187" "BTK" "BTK_HUMAN" 8.17 "IC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31953125" "https://pubmed.ncbi.nlm.nih.gov/31953125" "INHIBITOR" "Tclin" "Homo sapiens" "tepotinib" 5424 "Interleukin-1 receptor-associated kinase 4" "Kinase" "Q9NWZ3" "IRAK4" "IRAK4_HUMAN" 6.21 "IC50" "Kinase profiling assay" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/23553846" "INHIBITOR" "Tchem" "Homo sapiens" "tepotinib" 5424 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 8.77 "IC50" "Inhibition of c-Met phosphorylation and downstream signaling pathways (MoA)" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/23553846" "https://pubmed.ncbi.nlm.nih.gov/32361823" "INHIBITOR" "Tclin" "Homo sapiens" "dotinurad" 5425 "ATP-binding cassette sub-family G member 2" "Transporter" "Q9UNQ0" "ABCG2" "ABCG2_HUMAN" 5.38 "IC50" "Activity determined in ABCG2-overexpressing HEK293 cell" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31371478" "INHIBITOR" "Tchem" "Homo sapiens" "dotinurad" 5425 "Solute carrier family 22 member 6" "Transporter" "Q4U2R8" "SLC22A6" "S22A6_HUMAN" 5.39 "IC50" "Activity determined in ABCG2-overexpressing HEK293 cell" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31371478" "INHIBITOR" "Tclin" "Homo sapiens" "dotinurad" 5425 "Solute carrier family 22 member 8" "Transporter" "Q8TCC7" "SLC22A8" "S22A8_HUMAN" 5.88 "IC50" "Activity determined in ABCG2-overexpressing HEK293 cell" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/31371478" "INHIBITOR" "Tclin" "Homo sapiens" "dotinurad" 5425 "Cytochrome P450 2C9" "Enzyme" "P11712" "CYP2C9" "CP2C9_HUMAN" 5.24 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/33062187" "INHIBITOR" "Tchem" "Homo sapiens" "dotinurad" 5425 "Solute carrier family 22 member 12" "Transporter" "Q96S37" "SLC22A12" "S22AC_HUMAN" 7.43 "IC50" "MoA - URAT1-overexpressing MDCKII cell" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31371478" "https://pubmed.ncbi.nlm.nih.gov/33062187" "INHIBITOR" "Tclin" "Homo sapiens" "delgocitinib" 5426 "Rho-associated protein kinase 2" "Kinase" "O75116" "ROCK2" "ROCK2_HUMAN" 6.58 "IC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/25387665" "INHIBITOR" "Tclin" "Homo sapiens" "delgocitinib" 5426 "Tyrosine-protein kinase JAK3" "Kinase" "P52333" "JAK3" "JAK3_HUMAN" 7.89 "IC50" "ATP concentration at the Km specific for JAK3 of 2.5 μM" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25387665" "https://pubmed.ncbi.nlm.nih.gov/25387665" "INHIBITOR" "Tclin" "Homo sapiens" "delgocitinib" 5426 "Tyrosine-protein kinase JAK1" "Kinase" "P23458" "JAK1" "JAK1_HUMAN" 8.55 "IC50" "ATP concentration at the Km specific for JAK1 of 40 μM" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25387665" "https://pubmed.ncbi.nlm.nih.gov/25387665" "INHIBITOR" "Tclin" "Homo sapiens" "delgocitinib" 5426 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 8.58 "IC50" "ATP concentration at the Km specific for JAK2 of 10 μM" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25387665" "https://pubmed.ncbi.nlm.nih.gov/25387665" "INHIBITOR" "Tclin" "Homo sapiens" "delgocitinib" 5426 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 7.24 "IC50" "ATP concentration at the Km specific for Tyk2 of 40 μM" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/25387665" "https://pubmed.ncbi.nlm.nih.gov/25387665" "INHIBITOR" "Tclin" "Homo sapiens" "enarodustat" 5427 "Egl nine homolog 1" "Enzyme" "Q9GZT9" "EGLN1" "EGLN1_HUMAN" 7.8 "Ki" "Competitive inhibition, substrate 2-oxoglutarate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31301309" "https://pubmed.ncbi.nlm.nih.gov/33320297" "INHIBITOR" "Tclin" "Homo sapiens" "enarodustat" 5427 "Egl nine homolog 2" "Enzyme" "Q96KS0" "EGLN2" "EGLN2_HUMAN" 7.21 "Ki" "Competitive inhibition, substrate 2-oxoglutarate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31301309" "https://pubmed.ncbi.nlm.nih.gov/33320297" "INHIBITOR" "Tclin" "Homo sapiens" "enarodustat" 5427 "Egl nine homolog 3" "Enzyme" "Q9H6Z9" "EGLN3" "EGLN3_HUMAN" 7 "Ki" "Competitive inhibition, substrate 2-oxoglutarate" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/31301309" "https://pubmed.ncbi.nlm.nih.gov/33320297" "INHIBITOR" "Tclin" "Homo sapiens" "sofpironium bromide" 5428 "Muscarinic acetylcholine receptor M3" "GPCR" "P20309" "CHRM3" "ACM3_HUMAN" "Mechanism of Action" "SCIENTIFIC LITERATURE" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/33236266" "INHIBITOR" "Tclin" "Homo sapiens" "gallium (68Ga) gozetotide" 5429 "Prostate-specific antigen" "Surface antigen" "P07288" "KLK3" "KLK3_HUMAN" 7.57 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29619657" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212642s000lbl.pdf" "BINDING AGENT" "Tchem" "Homo sapiens" "berotralstat" 5430 "Plasma kallikrein" "Enzyme" "P03952" "KLKB1" "KLKB1_HUMAN" 7.8 "IC50" "Activity determined against plasma kallikrein from patients with HAE" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214094Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/214094s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "tirbanibulin" 5431 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 4.34 "IC50" "Low affinity is expected because the peptide substrate binding site is not well formed when Src is isolated." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tirbanibulin" 5431 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 7 "IC50" "Inhibition of LYN (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "tirbanibulin" 5431 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 4.34 "IC50" "Low affinity is expected because the peptide substrate binding site is not well formed when Src is isolated." "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "tirbanibulin" 5431 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 7 "IC50" "Inhibition of LYN (unknown origin)" "CHEMBL" "=" "Tclin" "Homo sapiens" "relugolix" 5432 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 9.48 "IC50" "" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "relugolix" 5432 "Gonadotropin-releasing hormone receptor" "GPCR" "P30969" "Gnrhr" "GNRHR_RAT" 9.48 "IC50" "" "IUPHAR" "=" "ANTAGONIST" "Rattus norvegicus" "relugolix" 5432 "Gonadotropin-releasing hormone receptor" "GPCR" "P30968" "GNRHR" "GNRHR_HUMAN" 9.92 "IC50" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/30937733" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/214621s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "ansuvimab" 5433 "Envelope glycoprotein" "Glycoprotein" "P87666" "GP" "VGP_EBOZ5" 9.7 "Kd" "Ansuvimab-zykl binds EBOV GP without the mucin domain at pH 7.4" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761172s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761172s000lbl.pdf" "ANTIBODY BINDING" "Zaire ebolavirus (strain Kikwit-95)" "margetuximab" 5434 "Receptor tyrosine-protein kinase erbB-2" "Kinase" "P04626" "ERBB2" "ERBB2_HUMAN" 8.55 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761150Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761150s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "margetuximab" 5434 "Low affinity immunoglobulin gamma Fc region receptor III-A" "Membrane receptor" "P08637" "FCGR3A" "FCG3A_HUMAN" 7.05 "Kd" "Affinity for 158V allele of human CD16A" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/761150Orig1s000MultidisciplineR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761150s000lbl.pdf" "ANTAGONIST" "Tbio" "Homo sapiens" "atoltivimab" 5436 "Low affinity immunoglobulin gamma Fc region receptor III-A" "Membrane receptor" "P08637" "FCGR3A" "FCG3A_HUMAN" 8.64 "EC50" "With EBOV Makona-GP expressing cell line and Jurkat/NFAT-Luc/FcγRIIIa reporter effector cells" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "ANTIBODY BINDING" "Tbio" "Homo sapiens" "atoltivimab" 5436 "Envelope glycoprotein" "Glycoprotein" "P87666" "GP" "VGP_EBOZ5" 8.11 "Kd" "Binding to the GP determined simultaneosly for atoltivimab, odesivimab, and maftivimab by surface plasmon resonance" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "ANTIBODY BINDING" "Zaire ebolavirus (strain Kikwit-95)" "maftivimab" 5437 "Envelope glycoprotein" "Glycoprotein" "P87666" "GP" "VGP_EBOZ5" 8.48 "Kd" "Binding to the GP determined simultaneosly for atoltivimab, odesivimab, and maftivimab by surface plasmon resonance" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "ANTIBODY BINDING" "Zaire ebolavirus (strain Kikwit-95)" "odesivimab" 5438 "Low affinity immunoglobulin gamma Fc region receptor III-A" "Membrane receptor" "P08637" "FCGR3A" "FCG3A_HUMAN" 8.8 "EC50" "With EBOV Makona-GP expressing cell line and Jurkat/NFAT-Luc/FcγRIIIa reporter effector cells" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "ANTIBODY BINDING" "Tbio" "Homo sapiens" "odesivimab" 5438 "Envelope glycoprotein" "Glycoprotein" "P87666" "GP" "VGP_EBOZ5" 8.08 "Kd" "Binding to the GP determined simultaneosly for atoltivimab, odesivimab, and maftivimab by surface plasmon resonance" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/761169s000lbl.pdf" "ANTIBODY BINDING" "Zaire ebolavirus (strain Kikwit-95)" "vericiguat" 5439 "Guanylate cyclase soluble subunit beta-1" "Enzyme" "P20595" "Gucy1b1" "GCYB1_RAT" 6 "EC50" "Recombinant CHO cell line overexpressing rat sGC" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/28557445" "ACTIVATOR" "Rattus norvegicus" "vericiguat" 5439 "Guanylate cyclase soluble subunit beta-1" "Enzyme" "Q02153" "GUCY1B3" "GCYB1_HUMAN" "Mechanism of Action" "DRUG LABEL" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214377s000lbl.pdf" "ACTIVATOR" "Tclin" "Homo sapiens" "cabotegravir" 5440 "Integrase" "Enzyme" "Q76353" "Q76353_9HIV1" 8.52 "IC50" "Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured after 25 to 45 mins" "CHEMBL" "=" "Human immunodeficiency virus 1" "cabotegravir" 5440 "Integrase" "Unclassified" "Q76353" "Q76353_9HIV1" 8.52 "IC50" "Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured after 25 to 45 mins" "CHEMBL" "=" "Human immunodeficiency virus 1" "cabotegravir" 5440 "Integrase" "Enzyme" "Q7ZJM1" "pol" "Q7ZJM1_9HIV1" 8.52 "IC50" "Strand transfer assay using purified recombinant HIV-1 integrase" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/212887s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/212887s000lbl.pdf" "INHIBITOR" "Human immunodeficiency virus 1" "umbralisib" 5441 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform" "Kinase" "P42336" "PIK3CA" "PK3CA_HUMAN" 5 "Kd" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/29475723" "INHIBITOR" "Tclin" "Homo sapiens" "umbralisib" 5441 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform" "Kinase" "P42338" "PIK3CB" "PK3CB_HUMAN" 5 "Kd" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/29475723" "INHIBITOR" "Tchem" "Homo sapiens" "umbralisib" 5441 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform" "Kinase" "P48736" "PIK3CG" "PK3CG_HUMAN" 5.85 "Kd" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/29475723" "INHIBITOR" "Tclin" "Homo sapiens" "umbralisib" 5441 "Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform" "Kinase" "O00329" "PIK3CD" "PK3CD_HUMAN" 8.21 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29475723" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/213176s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "umbralisib" 5441 "Casein kinase I isoform epsilon" "Kinase" "P49674" "CSNK1E" "KC1E_HUMAN" 6.74 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/29475723" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/213176s000lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "trilaciclib" 5442 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 9.15 "Kd" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "trilaciclib" 5442 "Cyclin-dependent kinase 1" "Kinase" "P06493" "CDK1" "CDK1_HUMAN" 5.53 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "trilaciclib" 5442 "Cyclin-dependent kinase 2" "Kinase" "P24941" "CDK2" "CDK2_HUMAN" 5.72 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "trilaciclib" 5442 "Cyclin-dependent-like kinase 5" "Kinase" "Q00535" "CDK5" "CDK5_HUMAN" 5.83 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "trilaciclib" 5442 "Cyclin-dependent kinase 9" "Kinase" "P50750" "CDK9" "CDK9_HUMAN" 7.3 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Homo sapiens" "trilaciclib" 5442 "Cyclin-dependent kinase 7" "Kinase" "P50613" "CDK7" "CDK7_HUMAN" 5.33 "IC50" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "trilaciclib" 5442 "NUAK family SNF1-like kinase 2" "Kinase" "Q9H093" "NUAK2" "NUAK2_HUMAN" 9.15 "Kd" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "trilaciclib" 5442 "Serine/threonine-protein kinase Nek10" "Kinase" "Q6ZWH5" "NEK10" "NEK10_HUMAN" 9.57 "Kd" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "INHIBITOR" "Tdark" "Homo sapiens" "trilaciclib" 5442 "Cyclin-dependent kinase 6" "Kinase" "Q00534" "CDK6" "CDK6_HUMAN" 8.4 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214200s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "trilaciclib" 5442 "Cyclin-dependent kinase 4" "Kinase" "P11802" "CDK4" "CDK4_HUMAN" 9 "IC50" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/214200Orig1s000PharmR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214200s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "casimersen" 5443 "exon 53 of dystrophin pre-mRNA" "RNA" "P11532" "DMD" "DMD_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/213026lbl.pdf" "ANTISENSE INHIBITOR" "Tclin" "Homo sapiens" "fosdenopterin" 5444 "Molybdenum cofactor biosynthesis protein 1" "Enzyme" "Q9NZB8" "MOCS1" "MOCS1_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214018s000lbl.pdf" "Tbio" "Homo sapiens" "ponesimod" 5446 "Sphingosine 1-phosphate receptor 5" "GPCR" "Q9H228" "S1PR5" "S1PR5_HUMAN" 7.23 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20446681" "AGONIST" "Tclin" "Homo sapiens" "ponesimod" 5446 "Sphingosine 1-phosphate receptor 4" "GPCR" "O95977" "S1PR4" "S1PR4_HUMAN" 5.96 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20446681" "AGONIST" "Tclin" "Homo sapiens" "ponesimod" 5446 "Sphingosine 1-phosphate receptor 3" "GPCR" "Q99500" "S1PR3" "S1PR3_HUMAN" 6.94 "EC50" "SCIENTIFIC LITERATURE" "=" "https://pubmed.ncbi.nlm.nih.gov/20446681" "AGONIST" "Tclin" "Homo sapiens" "ponesimod" 5446 "Sphingosine 1-phosphate receptor 1" "GPCR" "P21453" "S1PR1" "S1PR1_HUMAN" 8.13 "EC50" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/20446681" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/213498s000lbl.pdf" "AGONIST" "Tclin" "Homo sapiens" "dasiglucagon" 5447 "Glucagon receptor" "GPCR" "P47871" "GCGR" "GLR_HUMAN" 11 "EC50" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214231s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2021/214231Orig1s000PharmR.pdf" "AGONIST" "Tclin" "Homo sapiens" "evinacumab" 5449 "Angiopoietin-related protein 3" "Secreted" "Q9Y5C1" "ANGPTL3" "ANGL3_HUMAN" 9.04 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2021/761181Orig1s000PharmR.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/761181s000lbl.pdf" "INHIBITOR" "Homo sapiens" "estetrol" 5450 "Estrogen receptor" "Nuclear hormone receptor" "P03372" "ESR1" "ESR1_HUMAN" 8.31 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/18464023" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214154s000lbl.pdf" "MODULATOR" "Tclin" "Homo sapiens" "estetrol" 5450 "Estrogen receptor beta" "Nuclear hormone receptor" "Q92731" "ESR2" "ESR2_HUMAN" 7.72 "Ki" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/18464023" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214154s000lbl.pdf" "MODULATOR" "Tclin" "Homo sapiens" "dostarlimab" 5451 "Programmed cell death protein 1" "Membrane receptor" "Q15116" "PDCD1" "PDCD1_HUMAN" 8.82 "Kd" "Mechanism of Action" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/32134960" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/761174s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "loncastuximab tesirine" 5452 "B-lymphocyte antigen CD19" "Surface antigen" "P15391" "CD19" "CD19_HUMAN" "MoA - Monoclonal IgG1 kappa antibody component binds to human CD19" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/761196s000lbl.pdf" "ANTIBODY BINDING" "Tclin" "Homo sapiens" "bamlanivimab" 5453 "Spike glycoprotein" "Glycoprotein" "P0DTC2" "S" "SPIKE_SARS2" 10.15 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.fda.gov/media/143603/download" "https://www.fda.gov/media/143603/download" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "etesevimab" 5454 "Spike glycoprotein" "Glycoprotein" "P0DTC2" "S" "SPIKE_SARS2" 8.19 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.fda.gov/media/145802/download" "https://www.fda.gov/media/145802/download" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "casirivimab" 5455 "Spike glycoprotein" "Glycoprotein" "P0DTC2" "S" "SPIKE_SARS2" 10.34 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.fda.gov/media/145611/download" "https://www.fda.gov/media/145611/download" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "imdevimab" 5456 "Spike glycoprotein" "Glycoprotein" "P0DTC2" "S" "SPIKE_SARS2" 10.33 "Kd" "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.fda.gov/media/145611/download" "https://www.fda.gov/media/145611/download" "Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) (SARS-CoV-2)" "pegcetacoplan" 5457 "Complement C3" "Unclassified" "P01024" "C3" "CO3_HUMAN" 6.6 "IC50" "MoA - inhibition of complement activation evaluated in ELISA assay" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24497537" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/215014s000lbl.pdf" "INHIBITOR" "Tbio" "Homo sapiens" "piflufolastat F-18" 5458 "Glutamate carboxypeptidase 2" "Enzyme" "Q04609" "FOLH1" "FOLH1_HUMAN" "Mechanism of Action" "UNKNOWN" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214793s000lbl.pdf" "BINDING AGENT" "Tchem" "Homo sapiens" "infigratinib" 5459 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 5.54 "IC50" "Inhibition of RON-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tchem" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.64 "IC50" "Inhibition of recombinant ABL kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.12 "IC50" "Inhibition of recombinant KIT kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.53 "IC50" "Inhibition of SRC-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.6 "IC50" "Inhibition of recombinant LCK kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.96 "IC50" "Inhibition of recombinant YES kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.72 "IC50" "Inhibition of recombinant FYN kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.38 "IC50" "Inhibition of B-RAF V600E mutant-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.49 "IC50" "Inhibition of FLT3-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.47 "IC50" "Inhibition of RET juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.82 "IC50" "Inhibition of VEGFR1 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.74 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "infigratinib" 5459 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 5.68 "IC50" "Inhibition of VEGFR3 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.57 "IC50" "Inhibition of PDGFRalpha-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.47 "IC50" "Inhibition of INSR-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.54 "IC50" "Inhibition of JAK2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.27 "IC50" "Inhibition of SYK-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.69 "IC50" "Inhibition of TIE2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.52 "IC50" "Inhibition of MET-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.52 "IC50" "Inhibition of recombinant LYN kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5.47 "IC50" "Inhibition of BMX-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tchem" "Homo sapiens" "infigratinib" 5459 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.51 "IC50" "Inhibition of ALK juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.52 "IC50" "Inhibition of EPHB1-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tchem" "Homo sapiens" "infigratinib" 5459 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.5 "IC50" "Inhibition of TRKB juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.48 "IC50" "Inhibition of TYK2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.49 "IC50" "Inhibition of ROS-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 7.33 "Ki" "Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.47 "IC50" "Inhibition of RET juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.53 "IC50" "Inhibition of SRC-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Vascular endothelial growth factor receptor 2" "Kinase" "P35968" "KDR" "VGFR2_HUMAN" 6.74 "IC50" "" "IUPHAR" "=" "INHIBITOR" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase JAK2" "Kinase" "O60674" "JAK2" "JAK2_HUMAN" 5.54 "IC50" "Inhibition of JAK2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase ABL1" "Kinase" "P00519" "ABL1" "ABL1_HUMAN" 5.64 "IC50" "Inhibition of recombinant ABL kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Insulin receptor" "Kinase" "P06213" "INSR" "INSR_HUMAN" 5.47 "IC50" "Inhibition of INSR-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Lck" "Kinase" "P06239" "LCK" "LCK_HUMAN" 5.6 "IC50" "Inhibition of recombinant LCK kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Fyn" "Kinase" "P06241" "FYN" "FYN_HUMAN" 5.72 "IC50" "Inhibition of recombinant FYN kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Yes" "Kinase" "P07947" "YES1" "YES_HUMAN" 5.96 "IC50" "Inhibition of recombinant YES kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase Lyn" "Kinase" "P07948" "LYN" "LYN_HUMAN" 6.52 "IC50" "Inhibition of recombinant LYN kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase receptor Ret" "Kinase" "P07949" "RET" "RET_HUMAN" 5.47 "IC50" "Inhibition of RET juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Hepatocyte growth factor receptor" "Kinase" "P08581" "MET" "MET_HUMAN" 5.52 "IC50" "Inhibition of MET-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase ROS" "Kinase" "P08922" "ROS1" "ROS1_HUMAN" 5.49 "IC50" "Inhibition of ROS-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Mast/stem cell growth factor receptor Kit" "Kinase" "P10721" "KIT" "KIT_HUMAN" 6.12 "IC50" "Inhibition of recombinant KIT kinase" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Proto-oncogene tyrosine-protein kinase Src" "Kinase" "P12931" "SRC" "SRC_HUMAN" 5.53 "IC50" "Inhibition of SRC-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Serine/threonine-protein kinase B-raf" "Kinase" "P15056" "BRAF" "BRAF_HUMAN" 5.38 "IC50" "Inhibition of B-RAF V600E mutant-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Platelet-derived growth factor receptor alpha" "Kinase" "P16234" "PDGFRA" "PGFRA_HUMAN" 5.57 "IC50" "Inhibition of PDGFRalpha-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Vascular endothelial growth factor receptor 1" "Kinase" "P17948" "FLT1" "VGFR1_HUMAN" 5.82 "IC50" "Inhibition of VEGFR1 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Non-receptor tyrosine-protein kinase TYK2" "Kinase" "P29597" "TYK2" "TYK2_HUMAN" 5.48 "IC50" "Inhibition of TYK2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Vascular endothelial growth factor receptor 3" "Kinase" "P35916" "FLT4" "VGFR3_HUMAN" 5.68 "IC50" "Inhibition of VEGFR3 juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Receptor-type tyrosine-protein kinase FLT3" "Kinase" "P36888" "FLT3" "FLT3_HUMAN" 5.49 "IC50" "Inhibition of FLT3-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Tyrosine-protein kinase SYK" "Kinase" "P43405" "SYK" "KSYK_HUMAN" 5.27 "IC50" "Inhibition of SYK-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Cytoplasmic tyrosine-protein kinase BMX" "Kinase" "P51813" "BMX" "BMX_HUMAN" 5.47 "IC50" "Inhibition of BMX-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tchem" "Homo sapiens" "infigratinib" 5459 "Ephrin type-B receptor 1" "Kinase" "P54762" "EPHB1" "EPHB1_HUMAN" 5.52 "IC50" "Inhibition of EPHB1-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tchem" "Homo sapiens" "infigratinib" 5459 "Angiopoietin-1 receptor" "Kinase" "Q02763" "TEK" "TIE2_HUMAN" 5.69 "IC50" "Inhibition of TIE2-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Macrophage-stimulating protein receptor" "Kinase" "Q04912" "MST1R" "RON_HUMAN" 5.54 "IC50" "Inhibition of RON-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tchem" "Homo sapiens" "infigratinib" 5459 "BDNF/NT-3 growth factors receptor" "Kinase" "Q16620" "NTRK2" "NTRK2_HUMAN" 5.5 "IC50" "Inhibition of TRKB juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Smoothened homolog" "GPCR" "Q99835" "SMO" "SMO_HUMAN" 7.33 "Ki" "Displacement of [3H]-cyclopamine from SMO V404M mutant in gefitinib resistant human HCC827 cells by scintillation counting" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "ALK tyrosine kinase receptor" "Kinase" "Q9UM73" "ALK" "ALK_HUMAN" 5.51 "IC50" "Inhibition of ALK juxtamembrane domain-mediated proliferation of mouse BAF3 cells transformed with TEL-Kinase construct" "CHEMBL" "=" "Tclin" "Homo sapiens" "infigratinib" 5459 "Fibroblast growth factor receptor 3" "Kinase" "P22607" "FGFR3" "FGFR3_HUMAN" 8.7 "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214622s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "infigratinib" 5459 "Fibroblast growth factor receptor 2" "Kinase" "P21802" "FGFR2" "FGFR2_HUMAN" 9 "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214622s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "infigratinib" 5459 "Fibroblast growth factor receptor 4" "Kinase" "P22455" "FGFR4" "FGFR4_HUMAN" 7.21 "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214622s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "infigratinib" 5459 "Fibroblast growth factor receptor 1" "Kinase" "P11362" "FGFR1" "FGFR1_HUMAN" 8.99 "Mechanism of Action" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214622s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214622s000lbl.pdf" "INHIBITOR" "Tclin" "Homo sapiens" "samidorphan" 5460 "Mu-type opioid receptor" "GPCR" "P35372" "OPRM1" "OPRM_HUMAN" 10.28 "Ki" "Possible target for the mechanism of action of the drug" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/213378s000lbl.pdf" "ANTAGONIST" "Tclin" "Homo sapiens" "samidorphan" 5460 "Kappa-type opioid receptor" "GPCR" "P41145" "OPRK1" "OPRK_HUMAN" 9.64 "Ki" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/213378s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "samidorphan" 5460 "Delta-type opioid receptor" "GPCR" "P41143" "OPRD1" "OPRD_HUMAN" 8.59 "Ki" "DRUG LABEL" "=" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/213378s000lbl.pdf" "PARTIAL AGONIST" "Tclin" "Homo sapiens" "sotorasib" 5461 "GTPase KRas" "Enzyme" "P01116" "KRAS" "RASK_HUMAN" 7.03 "IC50" "KRAS G12C mutation" "DRUG LABEL" "=" 1 "DRUG LABEL" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214665s000lbl.pdf" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214665s000lbl.pdf" "INHIBITOR" "Tchem" "Homo sapiens" "ibrexafungerp" 5462 "Beta-1,3-glucan synthase catalytic subunit 1" "Enzyme" "O13428" "GSC1" "O13428_CANAX" 8.35 "IC50" "MoA - inhibits the biosynthesis of beta-(1,3)-glucan" "SCIENTIFIC LITERATURE" "=" 1 "DRUG LABEL" "https://pubmed.ncbi.nlm.nih.gov/24323472" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214900s000lbl.pdf" "INHIBITOR" "Candida albicans" "ibrexafungerp" 5462 "1,3-Beta-D-glucan-UDP glucosyltransferase" "Enzyme" "Q6FTN8" "FKS1" "Q6FTN8_CANGA" 7.83 "IC50" "MoA - inhibits the biosynthesis of beta-(1,3)-glucan" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24323472" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214900s000lbl.pdf" "INHIBITOR" "Candida glabrata" "ibrexafungerp" 5462 "1,3-Beta-D-glucan-UDP glucosyltransferase" "Enzyme" "P87204" "FKS" "P87204_ASPFM" 8.97 "IC50" "MoA - inhibits the biosynthesis of beta-(1,3)-glucan" "SCIENTIFIC LITERATURE" "=" 1 "SCIENTIFIC LITERATURE" "https://pubmed.ncbi.nlm.nih.gov/24323472" "https://www.accessdata.fda.gov/drugsatfda_docs/label/2021/214900s000lbl.pdf" "INHIBITOR" "Neosartorya fumigata"