Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM350702'   

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
Bile acid receptor (Homo sapiens (Human))	BDBM350702 (US10208081, Example 10 | US10266560, Example 18) Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NS(=O)(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r| Show InChI InChI=1S/C32H49NO5S/c1-5-23-27-19-21(34)15-17-32(27,4)26-16-18-31(3)24(12-13-25(31)29(26)30(23)36)20(2)11-14-28(35)33-39(37,38)22-9-7-6-8-10-22/h6-10,20-21,23-27,29-30,34,36H,5,11-19H2,1-4H3,(H,33,35)/t20-,21-,23-,24-,25+,26+,27+,29+,30-,31-,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
University of Bath					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding mediated activation of FXR. FXR Reporter Assay kit...				J Med Chem 50: 3540-60 (2007) BindingDB Entry DOI: 10.7270/Q2CJ8GSP
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM350702 (US10208081, Example 10 | US10266560, Example 18) Show SMILES CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)NS(=O)(=O)c4ccccc4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12 |r| Show InChI InChI=1S/C32H49NO5S/c1-5-23-27-19-21(34)15-17-32(27,4)26-16-18-31(3)24(12-13-25(31)29(26)30(23)36)20(2)11-14-28(35)33-39(37,38)22-9-7-6-8-10-22/h6-10,20-21,23-27,29-30,34,36H,5,11-19H2,1-4H3,(H,33,35)/t20-,21-,23-,24-,25+,26+,27+,29+,30-,31-,32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	550	n/a	n/a	n/a	n/a
Enanta Pharmaceuticals, Inc. US Patent					Assay Description The potency and efficacy of the compounds of the invention on TGR5 receptor was evaluated using in vitro assays which carried out using the express k...				US Patent US10208081 (2019) BindingDB Entry DOI: 10.7270/Q2PV6NH9
					More data for this Ligand-Target Pair