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 = 'BDBM50272009'   

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))	BDBM50272009 (CHEMBL4126062) Show SMILES COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOCc2c(F)cccc2Cl)n1-c1ccc(F)cc1 Show InChI InChI=1S/C29H29ClF2N2O3S/c1-29(2,19-8-13-25(35-3)26(16-19)36-4)27-17-33-28(34(27)21-11-9-20(31)10-12-21)38-15-14-37-18-22-23(30)6-5-7-24(22)32/h5-13,16-17H,14-15,18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Cadila Healthcare Ltd. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in CHOK1 cells after 5 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 1849-1852 (2018) Article DOI: 10.1016/j.bmcl.2018.04.011 BindingDB Entry DOI: 10.7270/Q2BP0588
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