Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50511204'   

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))	BDBM50511204 (CHEMBL4463341) Show SMILES Cc1cc(CNc2cccc(c2)C(O)=O)ccc1OCc1ccc(F)cc1 Show InChI InChI=1S/C22H20FNO3/c1-15-11-17(13-24-20-4-2-3-18(12-20)22(25)26)7-10-21(15)27-14-16-5-8-19(23)9-6-16/h2-12,24H,13-14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 ...				J Med Chem 63: 2854-2876 (2020) Article DOI: 10.1021/acs.jmedchem.9b01189 BindingDB Entry DOI: 10.7270/Q2H998HT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50511204 (CHEMBL4463341) Show SMILES Cc1cc(CNc2cccc(c2)C(O)=O)ccc1OCc1ccc(F)cc1 Show InChI InChI=1S/C22H20FNO3/c1-15-11-17(13-24-20-4-2-3-18(12-20)22(25)26)7-10-21(15)27-14-16-5-8-19(23)9-6-16/h2-12,24H,13-14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Binding affinity to His-tagged PPARalpha LBD (unknown origin) expressed in Escherichia coli Rosetta (DE3) at 25 degree C by isothermal titration calo...				J Med Chem 63: 2854-2876 (2020) Article DOI: 10.1021/acs.jmedchem.9b01189 BindingDB Entry DOI: 10.7270/Q2H998HT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50511204 (CHEMBL4463341) Show SMILES Cc1cc(CNc2cccc(c2)C(O)=O)ccc1OCc1ccc(F)cc1 Show InChI InChI=1S/C22H20FNO3/c1-15-11-17(13-24-20-4-2-3-18(12-20)22(25)26)7-10-21(15)27-14-16-5-8-19(23)9-6-16/h2-12,24H,13-14H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Binding affinity to PPARalpha in human MIO-M1 cells assessed as increase in thermal stability preincubated for 3 hrs followed by exposure to 45.5 deg...				J Med Chem 63: 2854-2876 (2020) Article DOI: 10.1021/acs.jmedchem.9b01189 BindingDB Entry DOI: 10.7270/Q2H998HT
					More data for this Ligand-Target Pair