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 = 'BDBM50019485'   

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)	BDBM50019485 (CHEMBL3290720) Show SMILES CCOC(=O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C28H24ClN3O5/c1-2-35-28(34)20-16-36-25-14-21(29)26(13-18(20)25)37-24-9-10-30-15-19(24)27(33)32-12-11-31(17-7-8-17)22-5-3-4-6-23(22)32/h3-6,9-10,13-17H,2,7-8,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39	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))	BDBM50019485 (CHEMBL3290720) Show SMILES CCOC(=O)c1coc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc34)cc12 Show InChI InChI=1S/C28H24ClN3O5/c1-2-35-28(34)20-16-36-25-14-21(29)26(13-18(20)25)37-24-9-10-30-15-19(24)27(33)32-12-11-31(17-7-8-17)22-5-3-4-6-23(22)32/h3-6,9-10,13-17H,2,7-8,11-12H2,1H3	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	1.70	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