Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM225978'
TargetBile acid receptor(Homo sapiens (Human))
D3R

LigandPNGBDBM225978(FXR_71)
Show SMILES OC(=O)COc1ccc(OC[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H27ClF2N2O4/c30-20-8-6-19(7-9-20)29-33-25-14-23(31)24(32)15-26(25)34(29)27(18-4-2-1-3-5-18)16-37-21-10-12-22(13-11-21)38-17-28(35)36/h6-15,18,27H,1-5,16-17H2,(H,35,36)/t27-/m1/s1
Affinity DataIC50: 61nMpH: 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