BDBM50146290 CHEMBL330494::N-[3-Chloro-4-(3,4,11,11a-tetrahydro-1H,5H-2-thia-4a,10-diaza-dibenzo[a,d]cycloheptene-10-carbonyl)-phenyl]-5-fluoro-2-methyl-benzamide

SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc23)c(Cl)c1

InChI Key InChIKey=CUJHJOKOEBDUSA-UHFFFAOYSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50146290   

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

Curated by ChEMBL
LigandPNGBDBM50146290(CHEMBL330494 | N-[3-Chloro-4-(3,4,11,11a-tetrahydr...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O2S/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)
Affinity DataKi:  60nMAssay 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
LigandPNGBDBM50146290(CHEMBL330494 | N-[3-Chloro-4-(3,4,11,11a-tetrahydr...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O2S/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)
Affinity DataKi:  300nMAssay 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
LigandPNGBDBM50146290(CHEMBL330494 | N-[3-Chloro-4-(3,4,11,11a-tetrahydr...)
Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C27H25ClFN3O2S/c1-17-6-7-19(29)12-23(17)26(33)30-20-8-9-22(24(28)13-20)27(34)32-15-21-16-35-11-10-31(21)14-18-4-2-3-5-25(18)32/h2-9,12-13,21H,10-11,14-16H2,1H3,(H,30,33)
Affinity DataKi:  1.40E+4nMAssay Description:Inhibition of 1 nM AVP-induced calcium mobilisation in cells expressing human vasopressin V1a receptorMore data for this Ligand-Target Pair