Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50160886'   

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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50160886 (CHEMBL3794442) Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2)-n2ccnc2C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C32H33FN4O3S/c1-22-34-16-17-36(22)25-11-13-27(14-12-25)40-18-19-41-31-35-21-30(37(31)26-9-7-24(33)8-10-26)32(2,3)23-6-15-28(38-4)29(20-23)39-5/h6-17,20-21H,18-19H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in CHO-K1 cells after 5 hrs by luciferase reporter gene assay				ACS Med Chem Lett 7: 51-5 (2016) Article DOI: 10.1021/acsmedchemlett.5b00323 BindingDB Entry DOI: 10.7270/Q2125VJ1
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