Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50394415'   

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))	BDBM50394415 (CHEMBL2158166) Show SMILES Oc1ccc(cc1)C(=O)OCC(=O)Nc1sc2CCCCc2c1C(=O)c1ccccc1 Show InChI InChI=1S/C24H21NO5S/c26-17-12-10-16(11-13-17)24(29)30-14-20(27)25-23-21(18-8-4-5-9-19(18)31-23)22(28)15-6-2-1-3-7-15/h1-3,6-7,10-13,26H,4-5,8-9,14H2,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.77E+3	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 FXRalpha ligand binding domain assessed as inhibition of CDCA-induced biotinylated SRC1 binding after 30 mins by HT...				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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