Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50175504'   

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))	BDBM50175504 (3-{4-[2-(Dibenzo[b,f][1,4]thiazepin-11-yl-methyl-a...) Show SMILES CCOC(Cc1ccc(OCCN(C)C2=Nc3ccccc3Sc3ccccc23)cc1)C(O)=O |t:14| Show InChI InChI=1S/C27H28N2O4S/c1-3-32-23(27(30)31)18-19-12-14-20(15-13-19)33-17-16-29(2)26-21-8-4-6-10-24(21)34-25-11-7-5-9-22(25)28-26/h4-15,23H,3,16-18H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Binding affinity towards peroxisome proliferator activated receptor alpha				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
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