Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50171896'   

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))	BDBM50171896 ((S)-2-(4-Hydroxymethyl-phenoxy)-3-phenyl-propionic...) Show SMILES OCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C16H16O4/c17-11-13-6-8-14(9-7-13)20-15(16(18)19)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a
Universit£ degli studi di Bari 'Aldo Moro' Curated by ChEMBL					Assay Description Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assay				Eur J Med Chem 63: 321-32 (2013) Article DOI: 10.1016/j.ejmech.2013.02.015 BindingDB Entry DOI: 10.7270/Q29G5QRP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50171896 ((S)-2-(4-Hydroxymethyl-phenoxy)-3-phenyl-propionic...) Show SMILES OCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 Show InChI InChI=1S/C16H16O4/c17-11-13-6-8-14(9-7-13)20-15(16(18)19)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.87E+4	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Effective concentration against human PPARalpha expressed in HepG2 cells				J Med Chem 48: 5509-19 (2005) Article DOI: 10.1021/jm0502844 BindingDB Entry DOI: 10.7270/Q2PV6JXF
					More data for this Ligand-Target Pair