Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50039104   

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))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARalpha LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene transa...				Bioorg Med Chem Lett 20: 1581-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.089 BindingDB Entry DOI: 10.7270/Q2Q52QKX
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50313117 ((Z)-5-(4-(3-(Piperidin-1-yl)propoxy)benzylidene)-2...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(OCCCN2CCCCC2)cc1 |w:7.8,t:1| Show InChI InChI=1S/C18H22N2O2S2/c21-17-16(24-18(23)19-17)13-14-5-7-15(8-6-14)22-12-4-11-20-9-2-1-3-10-20/h5-8,13H,1-4,9-12H2,(H,19,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARalpha LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene transa...				Bioorg Med Chem Lett 20: 1581-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.089 BindingDB Entry DOI: 10.7270/Q2Q52QKX
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50313117 ((Z)-5-(4-(3-(Piperidin-1-yl)propoxy)benzylidene)-2...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(OCCCN2CCCCC2)cc1 |w:7.8,t:1| Show InChI InChI=1S/C18H22N2O2S2/c21-17-16(24-18(23)19-17)13-14-5-7-15(8-6-14)22-12-4-11-20-9-2-1-3-10-20/h5-8,13H,1-4,9-12H2,(H,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARgamma LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene transa...				Bioorg Med Chem Lett 20: 1581-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.089 BindingDB Entry DOI: 10.7270/Q2Q52QKX
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARgamma2 LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene trans...				Bioorg Med Chem Lett 20: 1581-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.089 BindingDB Entry DOI: 10.7270/Q2Q52QKX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
Johann Wolfgang Goethe University Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARgamma1 LBD expressed in african green monkey COS7 cells coexpressing GAL4 by luciferase reporter gene trans...				Bioorg Med Chem Lett 20: 1581-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.089 BindingDB Entry DOI: 10.7270/Q2Q52QKX
					More data for this Ligand-Target Pair				3D Structure (crystal)