Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50019497'   

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 (Mus musculus)	BDBM50019497 (CHEMBL3290711) Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2sccc2c1 Show InChI InChI=1S/C25H21N3O2S/c29-25(28-13-12-27(18-5-6-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)30-19-7-8-24-17(15-19)10-14-31-24/h1-4,7-11,14-16,18H,5-6,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	52	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay				Eur J Med Chem 82: 1-15 (2014) Article DOI: 10.1016/j.ejmech.2014.05.031 BindingDB Entry DOI: 10.7270/Q2F76F4H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50019497 (CHEMBL3290711) Show SMILES O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1ccc2sccc2c1 Show InChI InChI=1S/C25H21N3O2S/c29-25(28-13-12-27(18-5-6-18)21-3-1-2-4-22(21)28)20-16-26-11-9-23(20)30-19-7-8-24-17(15-19)10-14-31-24/h1-4,7-11,14-16,18H,5-6,12-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at human TGR5 expressed in HEK293 cells co-expressing CRE after 5.5 hrs by luciferase reporter gene assay				Eur J Med Chem 82: 1-15 (2014) Article DOI: 10.1016/j.ejmech.2014.05.031 BindingDB Entry DOI: 10.7270/Q2F76F4H
					More data for this Ligand-Target Pair