Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50127935'   

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))	BDBM50127935 (5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...) Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(H,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>5.00E+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 against human PPAR alpha (peroxisome proliferator-activated alpha receptor)				Bioorg Med Chem Lett 13: 1801-4 (2003) BindingDB Entry DOI: 10.7270/Q2H994K2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50127935 (5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...) Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(H,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells				Bioorg Med Chem Lett 13: 1801-4 (2003) BindingDB Entry DOI: 10.7270/Q2H994K2
					More data for this Ligand-Target Pair