Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50394412'   

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))	BDBM50394412 (CHEMBL2158161) Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccccc1OC)C(=O)C(C)C Show InChI InChI=1S/C28H29NO4/c1-20(2)28(31)29(24-9-7-8-21(18-24)14-17-27(30)33-4)19-22-12-15-23(16-13-22)25-10-5-6-11-26(25)32-3/h5-18,20H,19H2,1-4H3/b17-14+	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	377	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at FXR				Bioorg Med Chem Lett 22: 6848-53 (2012) Article DOI: 10.1016/j.bmcl.2012.09.045 BindingDB Entry DOI: 10.7270/Q2GX4CP9
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