Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50282744'   

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))	BDBM50282744 (CHEMBL4167504) Show SMILES CCOC(=O)C(Cc1ccc(OCCn2c3ccc(cc3sc2=O)C(=O)\C=C\c2cc(OC)cc(OC)c2)cc1)OCC(F)(F)F Show InChI InChI=1S/C33H32F3NO8S/c1-4-43-31(39)29(45-20-33(34,35)36)17-21-5-9-24(10-6-21)44-14-13-37-27-11-8-23(18-30(27)46-32(37)40)28(38)12-7-22-15-25(41-2)19-26(16-22)42-3/h5-12,15-16,18-19,29H,4,13-14,17,20H2,1-3H3/b12-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
University of Lille Curated by ChEMBL					Assay Description Transactivation of human Gal4-fused PPARalpha LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 137: 310-326 (2017) Article DOI: 10.1016/j.ejmech.2017.06.006 BindingDB Entry DOI: 10.7270/Q2KS6V2B
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