Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50027011   

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 gamma (Mus musculus)	BDBM50265301 (5-(4-phenoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-c3ccccc3)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C17H12N2O4/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265171 (4-(4-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylide...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-[#6]-[#6]-[#8]-c3ccc(cc3)C#N)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C20H15N3O5/c21-12-14-3-7-16(8-4-14)28-10-9-27-15-5-1-13(2-6-15)11-17-18(24)22-20(26)23-19(17)25/h1-8,11H,9-10H2,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265213 (5-(4-((4-methoxyphenoxy)methyl)benzylidene)pyrimid...) Show SMILES [#6]-[#8]-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C20H18N2O6/c1-26-14-6-8-16(9-7-14)28-11-10-27-15-4-2-13(3-5-15)12-17-18(23)21-20(25)22-19(17)24/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265270 (5-(4-((10H-phenoxazin-10-yl)methyl)benzylidene)pyr...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-[#6]-[#6]-[#7]-3-c4ccccc4-[#8]-c4ccccc-34)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C25H19N3O5/c29-23-18(24(30)27-25(31)26-23)15-16-9-11-17(12-10-16)32-14-13-28-19-5-1-3-7-21(19)33-22-8-4-2-6-20(22)28/h1-12,15H,13-14H2,(H2,26,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265211 (5-(3-(2-(p-tolyloxy)ethoxy)benzylidene)pyrimidine-...) Show SMILES [#6]-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2cccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)c2)cc1 Show InChI InChI=1S/C20H18N2O5/c1-13-5-7-15(8-6-13)26-9-10-27-16-4-2-3-14(11-16)12-17-18(23)21-20(25)22-19(17)24/h2-8,11-12H,9-10H2,1H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265212 (5-(4-((4-nitrophenoxy)methyl)benzylidene)pyrimidin...) Show SMILES [#8-]-[#7+](=O)-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C19H15N3O7/c23-17-16(18(24)21-19(25)20-17)11-12-1-5-14(6-2-12)28-9-10-29-15-7-3-13(4-8-15)22(26)27/h1-8,11H,9-10H2,(H2,20,21,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair