Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50514833'   

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))	BDBM50514833 (CHEMBL4446031) Show SMILES CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2s1)C(O)=O Show InChI InChI=1S/C22H24Cl2N2O2S2/c1-2-3-4-5-6-19(21(27)28)29-22-26-18-10-8-15(12-20(18)30-22)25-13-14-7-9-16(23)17(24)11-14/h7-12,19,25H,2-6,13H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Partial agonist activity at Gal4-fused PPARalpha LBD (unknown origin) expressed in HEK293T cells after 14 to 16 hrs by dual-Glo luciferase assay				J Med Chem 63: 4555-4561 (2020) Article DOI: 10.1021/acs.jmedchem.9b01786 BindingDB Entry DOI: 10.7270/Q2DB856K
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