Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor delta' and Ligand = 'BDBM50171999'   

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 delta (Homo sapiens (Human))	BDBM50171999 (5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...) Show SMILES CC1(Cc2cc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)ccc2O1)C(O)=O Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)11-13-9-14(3-5-17(13)31-20)28-7-2-8-29-18-6-4-15(10-16(18)22)30-12-21(23,24)25/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+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 PPAR-delta				J Med Chem 48: 5589-99 (2005) Article DOI: 10.1021/jm050373g BindingDB Entry DOI: 10.7270/Q25T3K0M
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