Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50006448   

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 (Mus musculus)	BDBM28699 (2-(4-chlorophenoxy)-2-methylpropanoic acid | CHEMB...) Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activaion of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50049241 (4-[4-(4-Chloro-phenoxy)-phenyl]-4-oxo-butyric acid...) Show SMILES OC(=O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C16H13ClO4/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)15(18)9-10-16(19)20/h1-8H,9-10H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description In vitro transcriptional activaion of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells				J Med Chem 39: 665-8 (1996) Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G
					More data for this Ligand-Target Pair