Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50327522'
TargetG-protein coupled bile acid receptor 1(Homo sapiens (Human))
Kalypsys Inc

Curated by ChEMBL
LigandPNGBDBM50327522(2-(3-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...)
Show SMILES COc1ccc2cc(CNCCc3cccc(Br)c3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-6-5-17-12-19(14-25-9-7-16-3-2-4-20(24)11-16)23(26-22(17)13-21)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3
Affinity DataIC50: 2.80E+3nMAssay Description:Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP levelMore data for this Ligand-Target Pair
TargetG-protein coupled bile acid receptor 1(Mus musculus)
Kalypsys Inc

Curated by ChEMBL
LigandPNGBDBM50327522(2-(3-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...)
Show SMILES COc1ccc2cc(CNCCc3cccc(Br)c3)c(nc2c1)-c1ccsc1
Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-6-5-17-12-19(14-25-9-7-16-3-2-4-20(24)11-16)23(26-22(17)13-21)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3
Affinity DataIC50: 1.30E+4nMAssay Description:Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP levelMore data for this Ligand-Target Pair