Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50169228'   

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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50169228 (CHEMBL427520 | Phenyl-(4-propionyl-phenoxy)-acetic...) Show SMILES CCC(=O)c1ccc(OC(C(O)=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16O4/c1-2-15(18)12-8-10-14(11-9-12)21-16(17(19)20)13-6-4-3-5-7-13/h3-11,16H,2H2,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human PPAR alpha				J Med Chem 48: 4457-68 (2005) Article DOI: 10.1021/jm0502135 BindingDB Entry DOI: 10.7270/Q2MG7P1D
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