Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50334238'   

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))	BDBM50334238 (2-(2-(4-chlorophenyl)-6-methoxy-1H-benzo[d]imidazo...) Show SMILES COc1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1 Show InChI InChI=1S/C28H34ClN3O2/c1-34-23-16-17-24-25(18-23)32(27(31-24)20-12-14-21(29)15-13-20)26(19-8-4-2-5-9-19)28(33)30-22-10-6-3-7-11-22/h12-19,22,26H,2-11H2,1H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand from human FXR by scintillation proximity assay				Bioorg Med Chem Lett 21: 191-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.039 BindingDB Entry DOI: 10.7270/Q2XP757R
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