Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50306716'   

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))	BDBM50306716 (CHEMBL604761 | Isopropyl 3-{4-[2-(Dimethylamino)et...) Show SMILES CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(OCCN(C)C)cc1 |t:6| Show InChI InChI=1S/C29H35N3O4/c1-19(2)36-28(34)23-17-32(27(33)20-11-13-21(14-12-20)35-16-15-31(5)6)18-29(3,4)25-22-9-7-8-10-24(22)30-26(23)25/h7-14,17,19,30H,15-16,18H2,1-6H3	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	n/a	n/a	439	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human FXR-LBD expressed in HEL293 cells by Gal4-luciferase assay				J Med Chem 53: 1774-87 (2010) Article DOI: 10.1021/jm901650u BindingDB Entry DOI: 10.7270/Q24F1QT5
					More data for this Ligand-Target Pair