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 = 'BDBM398270'   

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)	BDBM398270 (US10323016, Example 7) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CC[N+](C)(C)C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H32F3N4O2S/c1-36(24-13-14-28(39-5)29(18-24)40-6)30-19-35-31(37(30)23-11-9-22(32)10-12-23)41-20-25-26(33)16-21(17-27(25)34)8-7-15-38(2,3)4/h9-14,16-19H,15,20H2,1-6H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	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))	BDBM398270 (US10323016, Example 7) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CC[N+](C)(C)C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C31H32F3N4O2S/c1-36(24-13-14-28(39-5)29(18-24)40-6)30-19-35-31(37(30)23-11-9-22(32)10-12-23)41-20-25-26(33)16-21(17-27(25)34)8-7-15-38(2,3)4/h9-14,16-19H,15,20H2,1-6H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	177	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