Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50118014'   

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))	BDBM50118014 (CHEMBL3613410) Show SMILES Cc1ccccc1C(=O)Oc1ccc(O)c(c1)C(C)(C)C Show InChI InChI=1S/C22H16N4S/c1-14-25-21(12-27-14)17-7-4-8-18(9-17)26-22-19-10-15-5-2-3-6-16(15)11-20(19)23-13-24-22/h2-13H,1H3,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Antagonist activity at GST-tagged FXR LBD (unknown origin) assessed as inhibition of CDCA-induced Bio-SRC-1 recruitment after 30 mins by HTRF assay				Bioorg Med Chem 23: 6427-36 (2015) Article DOI: 10.1016/j.bmc.2015.08.021 BindingDB Entry DOI: 10.7270/Q2GT5Q0T
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