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 = 'BDBM398284'   

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)	BDBM398284 (US10323016, Example 23) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)c(OC)c2)c(F)c1 Show InChI InChI=1S/C59H90F3N3O20S/c1-64(48-7-9-55(67-3)57(42-48)69-5)58-46-63-59(65(58)49-6-8-52(60)56(43-49)68-4)86-47-51-53(61)44-50(45-54(51)62)85-41-40-84-39-38-83-37-36-82-35-34-81-33-32-80-31-30-79-29-28-78-27-26-77-25-24-76-23-22-75-21-20-74-19-18-73-17-16-72-15-14-71-13-12-70-11-10-66-2/h6-9,42-46H,10-41,47H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	26	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))	BDBM398284 (US10323016, Example 23) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(F)c(CSc2ncc(N(C)c3ccc(OC)c(OC)c3)n2-c2ccc(F)c(OC)c2)c(F)c1 Show InChI InChI=1S/C59H90F3N3O20S/c1-64(48-7-9-55(67-3)57(42-48)69-5)58-46-63-59(65(58)49-6-8-52(60)56(43-49)68-4)86-47-51-53(61)44-50(45-54(51)62)85-41-40-84-39-38-83-37-36-82-35-34-81-33-32-80-31-30-79-29-28-78-27-26-77-25-24-76-23-22-75-21-20-74-19-18-73-17-16-72-15-14-71-13-12-70-11-10-66-2/h6-9,42-46H,10-41,47H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	330	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