BDBM50299347 CHEMBL576147::N-((1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)methyl)-4-(thiophen-2-ylmethylamino)piperidine-1-carboxamide

SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CNC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12

InChI Key InChIKey=BYQQBZFUEDMIQC-UHFFFAOYSA-N

Data  3 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50299347   

TargetVasopressin V1b receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50299347(CHEMBL576147 | N-((1-(4-chlorophenylsulfonyl)-1,2,...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CNC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C27H31ClN4O3S2/c28-21-8-11-25(12-9-21)37(34,35)32-23(10-7-20-4-1-2-6-26(20)32)18-30-27(33)31-15-13-22(14-16-31)29-19-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2,(H,30,33)
Affinity DataKi:  416nMAssay 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 V1a receptor(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50299347(CHEMBL576147 | N-((1-(4-chlorophenylsulfonyl)-1,2,...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CNC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C27H31ClN4O3S2/c28-21-8-11-25(12-9-21)37(34,35)32-23(10-7-20-4-1-2-6-26(20)32)18-30-27(33)31-15-13-22(14-16-31)29-19-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2,(H,30,33)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]Arg8-vasopressin from human vasopressin V1a 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
LigandPNGBDBM50299347(CHEMBL576147 | N-((1-(4-chlorophenylsulfonyl)-1,2,...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C(CNC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
Show InChI InChI=1S/C27H31ClN4O3S2/c28-21-8-11-25(12-9-21)37(34,35)32-23(10-7-20-4-1-2-6-26(20)32)18-30-27(33)31-15-13-22(14-16-31)29-19-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2,(H,30,33)
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