Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50167176'   

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))	BDBM50167176 ((E)-3-{3-[(4-Benzo[1,3]dioxol-5-yl-benzyl)-cyclohe...) Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H31NO5/c1-35-30(33)17-12-22-6-5-9-27(18-22)32(31(34)25-7-3-2-4-8-25)20-23-10-13-24(14-11-23)26-15-16-28-29(19-26)37-21-36-28/h5-6,9-19,25H,2-4,7-8,20-21H2,1H3/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Agonist activity at FXR				Bioorg Med Chem Lett 22: 6848-53 (2012) Article DOI: 10.1016/j.bmcl.2012.09.045 BindingDB Entry DOI: 10.7270/Q2GX4CP9
					More data for this Ligand-Target Pair
Bile acid receptor (Homo sapiens (Human))	BDBM50167176 ((E)-3-{3-[(4-Benzo[1,3]dioxol-5-yl-benzyl)-cyclohe...) Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc2OCOc2c1)C(=O)C1CCCCC1 Show InChI InChI=1S/C31H31NO5/c1-35-30(33)17-12-22-6-5-9-27(18-22)32(31(34)25-7-3-2-4-8-25)20-23-10-13-24(14-11-23)26-15-16-28-29(19-26)37-21-36-28/h5-6,9-19,25H,2-4,7-8,20-21H2,1H3/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Universidade de São Paulo Curated by ChEMBL					Assay Description Effective concentration against farnesoid X receptor (FXR)				Bioorg Med Chem Lett 15: 3119-25 (2005) Article DOI: 10.1016/j.bmcl.2005.04.017 BindingDB Entry DOI: 10.7270/Q2125S6Q
					More data for this Ligand-Target Pair