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 = 'BDBM398283'   

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)	BDBM398283 (US10323016, Example 22) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1 Show InChI InChI=1S/C46H64F3N3O13S/c1-51(38-9-10-43(54-3)44(31-38)55-4)45-34-50-46(52(45)37-7-5-36(47)6-8-37)66-35-40-41(48)32-39(33-42(40)49)65-30-29-64-28-27-63-26-25-62-24-23-61-22-21-60-20-19-59-18-17-58-16-15-57-14-13-56-12-11-53-2/h5-10,31-34H,11-30,35H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	29	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))	BDBM398283 (US10323016, Example 22) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1 Show InChI InChI=1S/C46H64F3N3O13S/c1-51(38-9-10-43(54-3)44(31-38)55-4)45-34-50-46(52(45)37-7-5-36(47)6-8-37)66-35-40-41(48)32-39(33-42(40)49)65-30-29-64-28-27-63-26-25-62-24-23-61-22-21-60-20-19-59-18-17-58-16-15-57-14-13-56-12-11-53-2/h5-10,31-34H,11-30,35H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	580	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