Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225922'
TargetBile acid receptor(Homo sapiens (Human))
D3R

LigandPNGBDBM225922(FXR_11)
Show SMILES Brc1ccc2N(Cc3ccc(cc3)-c3nnn[nH]3)C(=O)C3(CCN(CC3)S(=O)(=O)c3cccs3)c2c1
Show InChI InChI=1S/C24H21BrN6O3S2/c25-18-7-8-20-19(14-18)24(9-11-30(12-10-24)36(33,34)21-2-1-13-35-21)23(32)31(20)15-16-3-5-17(6-4-16)22-26-28-29-27-22/h1-8,13-14H,9-12,15H2,(H,26,27,28,29)
Affinity DataIC50: 120nMpH: 7.4Assay Description:The assay buffer contained 50 mM HEPES (pH 7.4), 10 mM NaCl, 5 mM MgCl2 and 0.01% CHAPS. The reactions were incubated for 30 min in the presence of [...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed