Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50258080'   

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))	BDBM50258080 (CHEMBL4059715) Show SMILES COc1ccc(CNc2c(nc3ccc(C)cn23)-c2cccs2)cc1 Show InChI InChI=1S/C20H19N3OS/c1-14-5-10-18-22-19(17-4-3-11-25-17)20(23(18)13-14)21-12-15-6-8-16(24-2)9-7-15/h3-11,13,21H,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Institute of Pharmaceutical Chemistry, Goethe-University Frankfurt , Max-von-Laue-Strasse 9, D-60438 Frankfurt am Main, Germany. Curated by ChEMBL					Assay Description Transactivation of human FXR expressed in human HeLa cells co-expressing BSEP after 24 hrs by dual-glo luciferase reporter gene assay				J Med Chem 60: 7199-7205 (2017) Article DOI: 10.1021/acs.jmedchem.7b00903 BindingDB Entry DOI: 10.7270/Q2736TBH
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