Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50167204'   

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))	BDBM50167204 ((E)-3-{3-[(2-Bromo-benzyl)-cyclohexanecarbonyl-ami...) Show SMILES COC(=O)\C=C\c1cccc(c1)N(Cc1ccccc1Br)C(=O)C1CCCCC1 Show InChI InChI=1S/C24H26BrNO3/c1-29-23(27)15-14-18-8-7-12-21(16-18)26(17-20-11-5-6-13-22(20)25)24(28)19-9-3-2-4-10-19/h5-8,11-16,19H,2-4,9-10,17H2,1H3/b15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	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
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