Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225981'
TargetBile acid receptor(Homo sapiens (Human))
D3R

LigandPNGBDBM225981(FXR_74)
Show SMILES OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3ccccc3Br)c3cc(Br)ccc23)cc1
Show InChI InChI=1S/C26H22Br2N2O5S/c27-19-9-10-22-20(15-19)26(25(33)30(22)16-17-5-7-18(8-6-17)24(31)32)11-13-29(14-12-26)36(34,35)23-4-2-1-3-21(23)28/h1-10,15H,11-14,16H2,(H,31,32)
Affinity DataIC50: 655nMpH: 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