Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50031214   

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))	BDBM50309063 (2-(4-(methylsulfonyl)phenyl)-11-phenyl-4,9-dioxa-3...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C23H28N2O6S/c1-18(19-10-12-21(13-11-19)32(2,28)29)24-30-16-6-7-17-31-25-22(14-15-23(26)27)20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,26,27)/b24-18+,25-22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309064 (2-(3-butylphenyl)-11-phenyl-4,9-dioxa-3,10-diazate...) Show SMILES CCCCc1cccc(c1)C(\C)=N\OCCCCO\N=C(\CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H34N2O4/c1-3-4-11-22-12-10-15-24(20-22)21(2)27-31-18-8-9-19-32-28-25(16-17-26(29)30)23-13-6-5-7-14-23/h5-7,10,12-15,20H,3-4,8-9,11,16-19H2,1-2H3,(H,29,30)/b27-21+,28-25-	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	200	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309065 (2-(biphenyl-3-yl)-11-phenyl-4,9-dioxa-3,10-diazate...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C28H30N2O4/c1-22(25-15-10-16-26(21-25)23-11-4-2-5-12-23)29-33-19-8-9-20-34-30-27(17-18-28(31)32)24-13-6-3-7-14-24/h2-7,10-16,21H,8-9,17-20H2,1H3,(H,31,32)/b29-22+,30-27-	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	100	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309066 (2-(naphthalen-2-yl)-11-phenyl-4,9-dioxa-3,10-diaza...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H28N2O4/c1-20(23-14-13-21-9-5-6-12-24(21)19-23)27-31-17-7-8-18-32-28-25(15-16-26(29)30)22-10-3-2-4-11-22/h2-6,9-14,19H,7-8,15-18H2,1H3,(H,29,30)/b27-20+,28-25-	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	200	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309067 (11-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4,...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc2CCCCc2c1 Show InChI InChI=1S/C26H32N2O4/c1-20(23-14-13-21-9-5-6-12-24(21)19-23)27-31-17-7-8-18-32-28-25(15-16-26(29)30)22-10-3-2-4-11-22/h2-4,10-11,13-14,19H,5-9,12,15-18H2,1H3,(H,29,30)/b27-20+,28-25-	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	200	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309068 (2-(3,4-dimethoxyphenyl)-11-phenyl-4,9-dioxa-3,10-d...) Show SMILES COc1ccc(cc1OC)C(\C)=N\OCCCCO\N=C(\CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O6/c1-18(20-11-13-22(29-2)23(17-20)30-3)25-31-15-7-8-16-32-26-21(12-14-24(27)28)19-9-5-4-6-10-19/h4-6,9-11,13,17H,7-8,12,14-16H2,1-3H3,(H,27,28)/b25-18+,26-21-	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	800	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309077 (11-phenyl-2-(4-(trifluoromethyl)phenyl)-4,9-dioxa-...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N2O4/c1-17(18-9-11-20(12-10-18)23(24,25)26)27-31-15-5-6-16-32-28-21(13-14-22(29)30)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-16H2,1H3,(H,29,30)/b27-17+,28-21-	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	1.40E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309070 (2-(3-methoxy-4-methylphenyl)-11-phenyl-4,9-dioxa-3...) Show SMILES COc1cc(ccc1C)C(\C)=N\OCCCCO\N=C(\CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C24H30N2O5/c1-18-11-12-21(17-23(18)29-3)19(2)25-30-15-7-8-16-31-26-22(13-14-24(27)28)20-9-5-4-6-10-20/h4-6,9-12,17H,7-8,13-16H2,1-3H3,(H,27,28)/b25-19+,26-22-	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	1.60E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309071 (2-(4-fluoro-3-methoxyphenyl)-11-phenyl-4,9-dioxa-3...) Show SMILES COc1cc(ccc1F)C(\C)=N\OCCCCO\N=C(\CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C23H27FN2O5/c1-17(19-10-11-20(24)22(16-19)29-2)25-30-14-6-7-15-31-26-21(12-13-23(27)28)18-8-4-3-5-9-18/h3-5,8-11,16H,6-7,12-15H2,1-2H3,(H,27,28)/b25-17+,26-21-	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	700	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309072 (CHEMBL592054 | IMIGLITAZAR) Show SMILES Cc1oc(nc1COc1ccc(CO\N=C(/CCC(O)=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O5/c1-20-26(29-28(35-20)23-10-6-3-7-11-23)19-33-24-14-12-21(13-15-24)18-34-30-25(16-17-27(31)32)22-8-4-2-5-9-22/h2-15H,16-19H2,1H3,(H,31,32)/b30-25+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309074 (2-(4-fluorophenyl)-11-phenyl-4,9-dioxa-3,10-diazat...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN2O4/c1-17(18-9-11-20(23)12-10-18)24-28-15-5-6-16-29-25-21(13-14-22(26)27)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-16H2,1H3,(H,26,27)/b24-17+,25-21-	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	1.40E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309075 (11-phenyl-2-p-tolyl-4,9-dioxa-3,10-diazatetradeca-...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(C)cc1 Show InChI InChI=1S/C23H28N2O4/c1-18-10-12-20(13-11-18)19(2)24-28-16-6-7-17-29-25-22(14-15-23(26)27)21-8-4-3-5-9-21/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,26,27)/b24-19+,25-22-	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	2.10E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309076 (2-(4-methoxyphenyl)-11-phenyl-4,9-dioxa-3,10-diaza...) Show SMILES COc1ccc(cc1)C(\C)=N\OCCCCO\N=C(\CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C23H28N2O5/c1-18(19-10-12-21(28-2)13-11-19)24-29-16-6-7-17-30-25-22(14-15-23(26)27)20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,26,27)/b24-18+,25-22-	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	1.10E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50309069 (2-(3,4-dimethylphenyl)-11-phenyl-4,9-dioxa-3,10-di...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(C)c(C)c1 Show InChI InChI=1S/C24H30N2O4/c1-18-11-12-22(17-19(18)2)20(3)25-29-15-7-8-16-30-26-23(13-14-24(27)28)21-9-5-4-6-10-21/h4-6,9-12,17H,7-8,13-16H2,1-3H3,(H,27,28)/b25-20+,26-23-	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+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair