Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50015382'   

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))	BDBM50015382 (CHEMBL3264645) Show SMILES Cc1ccc(cc1)-c1nn(Cc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C30H29F3N4O4S/c1-20-6-9-23(10-7-20)28-26(19-36(35-28)18-22-4-3-5-24(16-22)30(31,32)33)29(38)34-25-11-8-21(2)27(17-25)42(39,40)37-12-14-41-15-13-37/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,34,38)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Beckman Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human GST-tagged FXR after 20 mins by TR-FRET assay				Bioorg Med Chem 22: 2919-38 (2014) Article DOI: 10.1016/j.bmc.2014.04.014 BindingDB Entry DOI: 10.7270/Q2FT8NMW
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50015382 (CHEMBL3264645) Show SMILES Cc1ccc(cc1)-c1nn(Cc2cccc(c2)C(F)(F)F)cc1C(=O)Nc1ccc(C)c(c1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C30H29F3N4O4S/c1-20-6-9-23(10-7-20)28-26(19-36(35-28)18-22-4-3-5-24(16-22)30(31,32)33)29(38)34-25-11-8-21(2)27(17-25)42(39,40)37-12-14-41-15-13-37/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,34,38)	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	515	n/a	n/a	n/a	n/a	n/a	n/a
Beckman Research Institute Curated by ChEMBL					Assay Description Inhibition of GW4064-induced transactivation of FXR (unknown origin) expressed in HEK293T cells after 16 hrs by beta-lactamase reporter gene assay				Bioorg Med Chem 22: 2919-38 (2014) Article DOI: 10.1016/j.bmc.2014.04.014 BindingDB Entry DOI: 10.7270/Q2FT8NMW
					More data for this Ligand-Target Pair