Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50334232'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bile acid receptor (Homo sapiens (Human))	BDBM50334232 (2-(2-(4-cyanophenyl)-1H-benzo[d]imidazol-1-yl)-N,2...) Show SMILES O=C(NC1CCCCC1)C(C1CCCCC1)n1c(nc2ccccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C28H32N4O/c29-19-20-15-17-22(18-16-20)27-31-24-13-7-8-14-25(24)32(27)26(21-9-3-1-4-10-21)28(33)30-23-11-5-2-6-12-23/h7-8,13-18,21,23,26H,1-6,9-12H2,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 191-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.039 BindingDB Entry DOI: 10.7270/Q2XP757R
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