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 = 'BDBM398271'   

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)	BDBM398271 (US10323016, Example 8) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CC[NH+](C)C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H29F3N4O2S/c1-35(2)14-6-7-20-15-25(32)24(26(33)16-20)19-40-30-34-18-29(37(30)22-10-8-21(31)9-11-22)36(3)23-12-13-27(38-4)28(17-23)39-5/h8-13,15-18H,14,19H2,1-5H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	17	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))	BDBM398271 (US10323016, Example 8) Show SMILES COc1ccc(cc1OC)N(C)c1cnc(SCc2c(F)cc(cc2F)C#CC[NH+](C)C)n1-c1ccc(F)cc1 Show InChI InChI=1S/C30H29F3N4O2S/c1-35(2)14-6-7-20-15-25(32)24(26(33)16-20)19-40-30-34-18-29(37(30)22-10-8-21(31)9-11-22)36(3)23-12-13-27(38-4)28(17-23)39-5/h8-13,15-18H,14,19H2,1-5H3/p+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	260	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