Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bile acid receptor' and Ligand = 'BDBM50334235'   

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))	BDBM50334235 (2-(2-(4-chlorophenyl)-6-(hydroxymethyl)-1H-benzo[d...) Show SMILES OCc1ccc2nc(-c3ccc(Cl)cc3)n(C(C3CCCCC3)C(=O)NC3CCCCC3)c2c1 Show InChI InChI=1S/C28H34ClN3O2/c29-22-14-12-21(13-15-22)27-31-24-16-11-19(18-33)17-25(24)32(27)26(20-7-3-1-4-8-20)28(34)30-23-9-5-2-6-10-23/h11-17,20,23,26,33H,1-10,18H2,(H,30,34)	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	6.19E+3	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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