Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled bile acid receptor 1' and Ligand = 'BDBM50266574'   

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))	BDBM50266574 (CHEMBL4081298 | US10323016, Example 2) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(C)cccc2C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C27H28FN3O2S/c1-18-7-6-8-19(2)23(18)17-34-27-29-16-26(31(27)21-11-9-20(28)10-12-21)30(3)22-13-14-24(32-4)25(15-22)33-5/h6-16H,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	299	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene as...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q22Z17WT
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50266574 (CHEMBL4081298 | US10323016, Example 2) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(C)cccc2C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C27H28FN3O2S/c1-18-7-6-8-19(2)23(18)17-34-27-29-16-26(31(27)21-11-9-20(28)10-12-21)30(3)22-13-14-24(32-4)25(15-22)33-5/h6-16H,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	299	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at human TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266574 (CHEMBL4081298 | US10323016, Example 2) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(C)cccc2C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C27H28FN3O2S/c1-18-7-6-8-19(2)23(18)17-34-27-29-16-26(31(27)21-11-9-20(28)10-12-21)30(3)22-13-14-24(32-4)25(15-22)33-5/h6-16H,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 transfected in HEK293 cells assessed as cAMP accumulation after overnight incubation by luciferase reporter gene assay				J Med Chem 60: 4185-4211 (2017) Article DOI: 10.1021/acs.jmedchem.6b01873 BindingDB Entry DOI: 10.7270/Q21838ZP
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50266574 (CHEMBL4081298 | US10323016, Example 2) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(C)cccc2C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C27H28FN3O2S/c1-18-7-6-8-19(2)23(18)17-34-27-29-16-26(31(27)21-11-9-20(28)10-12-21)30(3)22-13-14-24(32-4)25(15-22)33-5/h6-16H,17H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description In the following tables TGR5 activation by compounds and subsequent increase in intracellular cAMP were evaluated using a luciferase reporter gene as...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q22Z17WT
					More data for this Ligand-Target Pair