Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM50126021'   

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))	BDBM50126021 (CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...) Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARalpha				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50126021 (CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...) Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human PPAR alpha in SPA				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50126021 (CHEMBL23881 | {4-[3-(4-Acetyl-3-hydroxy-2-propyl-p...) Show SMILES CCCc1c(O)c(ccc1OCCCSc1ccc(CC(O)=O)cc1Cl)C(C)=O Show InChI InChI=1S/C22H25ClO5S/c1-3-5-17-19(8-7-16(14(2)24)22(17)27)28-10-4-11-29-20-9-6-15(12-18(20)23)13-21(25)26/h6-9,12,27H,3-5,10-11,13H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Transcriptional activation by human PPAR gamma				Bioorg Med Chem Lett 13: 1277-80 (2003) BindingDB Entry DOI: 10.7270/Q2PC31R1
					More data for this Ligand-Target Pair