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 = 'BDBM50081115'   

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)	BDBM50081115 (CHEMBL3421901) Show SMILES CN(CC(O)=O)C(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C29H28Cl2N4O5/c1-33(17-28(37)38)27(36)9-6-18-14-22(31)26(15-21(18)30)40-25-10-11-32-16-20(25)29(39)35-13-12-34(19-7-8-19)23-4-2-3-5-24(23)35/h2-5,10-11,14-16,19H,6-9,12-13,17H2,1H3,(H,37,38)	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	5.80E+3	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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay				J Med Chem 58: 3315-28 (2015) Article DOI: 10.1021/jm500829b BindingDB Entry DOI: 10.7270/Q2BV7JB3
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50081115 (CHEMBL3421901) Show SMILES CN(CC(O)=O)C(=O)CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl Show InChI InChI=1S/C29H28Cl2N4O5/c1-33(17-28(37)38)27(36)9-6-18-14-22(31)26(15-21(18)30)40-25-10-11-32-16-20(25)29(39)35-13-12-34(19-7-8-19)23-4-2-3-5-24(23)35/h2-5,10-11,14-16,19H,6-9,12-13,17H2,1H3,(H,37,38)	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	1.50E+4	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 incubated for 5.5 hrs by CRE-driven luciferase reporter gene assay				J Med Chem 58: 3315-28 (2015) Article DOI: 10.1021/jm500829b BindingDB Entry DOI: 10.7270/Q2BV7JB3
					More data for this Ligand-Target Pair