BDBM50135419 2-(5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-2-yl)-ethanesulfonic acid::CHEMBL131439

SMILES OS(=O)(=O)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1

InChI Key InChIKey=BXVMVOZCTIQAAB-UHFFFAOYSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50135419   

TargetVasopressin V1a receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL
LigandPNGBDBM50135419(2-(5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3...)
Show SMILES OS(=O)(=O)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O5S2/c34-30(27-11-5-4-10-26(27)22-8-2-1-3-9-22)32-24-16-14-23(15-17-24)31(35)33-20-18-25(19-21-40(36,37)38)39-29-13-7-6-12-28(29)33/h1-17,25H,18-21H2,(H,32,34)(H,36,37,38)
Affinity DataIC50: 1.15E+3nMAssay Description:Ability of the compound to displace [3H]-arginine vasopressin in cloned human V1a receptorMore data for this Ligand-Target Pair
TargetVasopressin V2 receptor(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL
LigandPNGBDBM50135419(2-(5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3...)
Show SMILES OS(=O)(=O)CCC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1
Show InChI InChI=1S/C31H28N2O5S2/c34-30(27-11-5-4-10-26(27)22-8-2-1-3-9-22)32-24-16-14-23(15-17-24)31(35)33-20-18-25(19-21-40(36,37)38)39-29-13-7-6-12-28(29)33/h1-17,25H,18-21H2,(H,32,34)(H,36,37,38)
Affinity DataIC50: 12nMAssay Description:Ability to displace [3H]-arginine vasopressin in cloned human V2 receptorMore data for this Ligand-Target Pair