BDBM225990 FXR_83

SMILES OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cc(Cl)ccc3Cl)c3cc(Br)ccc23)cc1

InChI Key InChIKey=VQPDPCWFMWZJQP-UHFFFAOYSA-N

Data  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225990   

TargetBile acid receptor(Homo sapiens (Human))
D3R

LigandPNGBDBM225990(FXR_83)
Show SMILES OC(=O)c1ccc(CN2C(=O)C3(CCN(CC3)S(=O)(=O)c3cc(Cl)ccc3Cl)c3cc(Br)ccc23)cc1
Show InChI InChI=1S/C26H21BrCl2N2O5S/c27-18-5-8-22-20(13-18)26(25(34)31(22)15-16-1-3-17(4-2-16)24(32)33)9-11-30(12-10-26)37(35,36)23-14-19(28)6-7-21(23)29/h1-8,13-14H,9-12,15H2,(H,32,33)
Affinity DataIC50: 330nMpH: 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