Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Vasopressin V1b receptor' and Ligand = 'BDBM50299335'
TargetVasopressin V1b receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50299335(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C27H30ClN3O3S2/c28-21-8-11-25(12-9-21)36(33,34)31-23(10-7-20-4-1-2-6-26(20)31)18-27(32)30-15-13-22(14-16-30)29-19-24-5-3-17-35-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2
Affinity DataKi:  1.52E+3nMAssay Description:Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counterMore data for this Ligand-Target Pair
TargetVasopressin V1b receptor(RAT)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50299335(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroqu...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C27H30ClN3O3S2/c28-21-8-11-25(12-9-21)36(33,34)31-23(10-7-20-4-1-2-6-26(20)31)18-27(32)30-15-13-22(14-16-30)29-19-24-5-3-17-35-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counterMore data for this Ligand-Target Pair