Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50169230'   

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))	BDBM50169230 ((S)-(5-Chloro-3-ethyl-2-oxo-7-propyl-2,3-dihydro-b...) Show SMILES CCCc1c(O[C@H](C(O)=O)c2ccc(cc2)C(C)C)c(Cl)cc2n(CC)c(=O)oc12 Show InChI InChI=1S/C23H26ClNO5/c1-5-7-16-20(17(24)12-18-21(16)30-23(28)25(18)6-2)29-19(22(26)27)15-10-8-14(9-11-15)13(3)4/h8-13,19H,5-7H2,1-4H3,(H,26,27)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	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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