Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50040480   

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 (Homo sapiens (Human))	BDBM50085045 (5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Kaohsiung Normal University Curated by ChEMBL					Assay Description Inhibition of fluormone binding to human PPARgamma LBD after 2 hrs by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 2954-8 (2012) Article DOI: 10.1016/j.bmcl.2012.02.043 BindingDB Entry DOI: 10.7270/Q2R78GB5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Kaohsiung Normal University Curated by ChEMBL					Assay Description Inhibition of fluormone binding to human PPARgamma LBD after 2 hrs by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 2954-8 (2012) Article DOI: 10.1016/j.bmcl.2012.02.043 BindingDB Entry DOI: 10.7270/Q2R78GB5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394803 (TIROTUNDIN) Show SMILES CC(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 |r| Show InChI InChI=1S/C19H28O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h10-11,13-15,22H,4,6-9H2,1-3,5H3/t11-,13+,14+,15-,18-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Kaohsiung Normal University Curated by ChEMBL					Assay Description Inhibition of fluormone binding to human PPARgamma LBD after 2 hrs by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 2954-8 (2012) Article DOI: 10.1016/j.bmcl.2012.02.043 BindingDB Entry DOI: 10.7270/Q2R78GB5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50394802 (TAGITININ A) Show SMILES CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 |r| Show InChI InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14-,15-,18+,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Kaohsiung Normal University Curated by ChEMBL					Assay Description Inhibition of fluormone binding to human PPARgamma LBD after 2 hrs by competitive fluorescence polarization assay				Bioorg Med Chem Lett 22: 2954-8 (2012) Article DOI: 10.1016/j.bmcl.2012.02.043 BindingDB Entry DOI: 10.7270/Q2R78GB5
					More data for this Ligand-Target Pair