Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50275537'   

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))	BDBM50275537 (CHEMBL520856 | cis-2-methyl-5-(6-(4-(methylsulfony...) Show SMILES C[C@]1(OC[C@H](CCCCCCc2ccc(OS(C)(=O)=O)cc2)CO1)C(O)=O |r,wU:4.4,1.25,wD:1.0,(31.21,.84,;29.67,.84,;29.68,2.38,;28.34,3.15,;27.02,2.39,;25.68,3.15,;24.35,2.38,;23.01,3.15,;21.68,2.38,;20.35,3.15,;19.01,2.37,;17.68,3.14,;16.35,2.37,;15.01,3.14,;15.02,4.68,;13.68,5.45,;12.35,4.68,;11.01,3.92,;13.11,3.35,;11.59,6.02,;16.35,5.45,;17.68,4.69,;27.01,.84,;28.34,.07,;29.66,-.7,;30.99,-1.48,;28.33,-1.46,)| Show InChI InChI=1S/C19H28O7S/c1-19(18(20)21)24-13-16(14-25-19)8-6-4-3-5-7-15-9-11-17(12-10-15)26-27(2,22)23/h9-12,16H,3-8,13-14H2,1-2H3,(H,20,21)/t16-,19+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of bet...				Bioorg Med Chem Lett 18: 5586-90 (2008) Article DOI: 10.1016/j.bmcl.2008.08.112 BindingDB Entry DOI: 10.7270/Q2GH9HS2
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