BDBM50146285 Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetrahydro-1H,5H-2-thia-4a,10-diaza-dibenzo[a,d]cycloheptene-10-carbonyl)-phenyl]-amide::CHEMBL329903

SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1

InChI Key InChIKey=BXOKIJAEZHPQKJ-MHZLTWQESA-N

Data  4 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50146285   

TargetVasopressin V2 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50146285(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
Affinity DataKi:  3.20nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V2 receptorMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50146285(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
Affinity DataKi:  15nMAssay Description:Inhibition of 1 nM AVP-induced cAMP accumulation in cells expressing human vasopressin V2 receptorMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50146285(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
Affinity DataKi:  84nMAssay Description:Inhibition of [3H]AVP binding to recombinant human vasopressin V1a receptorMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50146285(Biphenyl-2-carboxylic acid [4-((S)-3,4,11,11a-tetr...)
Show SMILES O=C(Nc1ccc(cc1)C(=O)N1C[C@H]2CSCCN2Cc2ccccc12)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c36-31(29-12-6-5-11-28(29)23-8-2-1-3-9-23)33-26-16-14-24(15-17-26)32(37)35-21-27-22-38-19-18-34(27)20-25-10-4-7-13-30(25)35/h1-17,27H,18-22H2,(H,33,36)/t27-/m0/s1
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptorMore data for this Ligand-Target Pair