Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'ktorza' and Initial = 'a'   

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))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)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/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	8	-43.0	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					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	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234375 ((S)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28798 ((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...) Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294690 ((S)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OC)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30+/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294688 ((S)-3-(4-(2-(6-((benzyloxyimino)(phenyl)methyl)-4,...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCc2ccccc2)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C38H42N2O5/c1-4-43-35(37(41)42)25-28-15-18-32(19-16-28)44-24-23-40-22-21-38(2,3)33-26-31(17-20-34(33)40)36(30-13-9-6-10-14-30)39-45-27-29-11-7-5-8-12-29/h5-20,26,35H,4,21-25,27H2,1-3H3,(H,41,42)/b39-36+/t35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294692 ((S)-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)-4,4-...) Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](OCC(F)(F)F)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C32H35F3N2O5/c1-31(2)15-16-37(27-14-11-24(20-26(27)31)29(36-40-3)23-7-5-4-6-8-23)17-18-41-25-12-9-22(10-13-25)19-28(30(38)39)42-21-32(33,34)35/h4-14,20,28H,15-19,21H2,1-3H3,(H,38,39)/b36-29+/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234377 (2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O |w:3.3| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294691 ((S)-2-(2-benzoylphenylamino)-3-(4-(2-(6-((methoxyi...) Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C43H43N3O5/c1-43(2)24-25-46(39-23-20-33(29-36(39)43)40(45-50-3)31-12-6-4-7-13-31)26-27-51-34-21-18-30(19-22-34)28-38(42(48)49)44-37-17-11-10-16-35(37)41(47)32-14-8-5-9-15-32/h4-23,29,38,44H,24-28H2,1-3H3,(H,48,49)/b45-40+/t38-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294689 ((S)-3-(4-(2-(6-((allyloxyimino)(phenyl)methyl)-4,4...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCC=C)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C34H40N2O5/c1-5-21-41-35-32(26-10-8-7-9-11-26)27-14-17-30-29(24-27)34(3,4)18-19-36(30)20-22-40-28-15-12-25(13-16-28)23-31(33(37)38)39-6-2/h5,7-17,24,31H,1,6,18-23H2,2-4H3,(H,37,38)/b35-32+/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234372 ((R)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...) Show SMILES CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294693 ((S)-3-(4-(2-(6-((cyclopropylmethoxyimino)(phenyl)m...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N\OCC2CC2)\c2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C35H42N2O5/c1-4-40-32(34(38)39)22-25-12-15-29(16-13-25)41-21-20-37-19-18-35(2,3)30-23-28(14-17-31(30)37)33(27-8-6-5-7-9-27)36-42-24-26-10-11-26/h5-9,12-17,23,26,32H,4,10-11,18-22,24H2,1-3H3,(H,38,39)/b36-33+/t32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	254	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233176 (Sodium 8-hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-...) Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C25H33NO4/c1-2-3-4-5-8-13-18-30-25-21(19-20-14-11-12-15-22(20)26-25)23(27)16-9-6-7-10-17-24(28)29/h11-12,14-15,19,23,27H,2-5,7-8,10,13,16-18H2,1H3,(H,28,29)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	378	-34.1	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233183 (Sodium 8-hydroxy-8-(6-methoxy-2-pentyloxy-quinolin...) Show SMILES CCCCCOc1nc2ccc(OC)cc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C23H29NO5/c1-3-4-9-14-29-23-19(21(25)10-7-5-6-8-11-22(26)27)16-17-15-18(28-2)12-13-20(17)24-23/h12-13,15-16,21,25H,3-4,6,8-11,14H2,1-2H3,(H,26,27)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	583	-33.1	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234373 (CHEMBL253851 | ethyl 2-ethoxy-3-(4-(2-(6-((hydroxy...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C33H40N2O5/c1-5-38-30(32(36)39-6-2)22-24-12-15-27(16-13-24)40-21-20-35-19-18-33(3,4)28-23-26(14-17-29(28)35)31(34-37)25-10-8-7-9-11-25/h7-17,23,30-31H,5-6,18-22H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	618	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50172802 (CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	947	-32.0	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233180 (Sodium [5-hydroxy-5-(2-pentyloxy-quinolin-3-yl)-pe...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCOCC([O-])=O Show InChI InChI=1S/C21H25NO5/c1-2-3-7-13-27-21-17(14-16-9-4-5-10-18(16)22-21)19(23)11-6-8-12-26-15-20(24)25/h4-5,9-10,14,19,23H,2-3,7,11-13,15H2,1H3,(H,24,25)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.93E+3	-30.3	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233181 (Sodium [5-hydroxy-5-(2-methoxy-quinolin-3-yl)-pent...) Show SMILES COc1nc2ccccc2cc1C(O)CC#CCOCC([O-])=O Show InChI InChI=1S/C17H17NO5/c1-22-17-13(10-12-6-2-3-7-14(12)18-17)15(19)8-4-5-9-23-11-16(20)21/h2-3,6-7,10,15,19H,8-9,11H2,1H3,(H,20,21)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.81E+3	-28.8	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294695 ((S)-2-acetoxy-3-(4-(2-(6-((methoxyimino)(phenyl)me...) Show SMILES CO\N=C(/c1ccccc1)c1ccc2N(CCOc3ccc(C[C@H](OC(C)=O)C(O)=O)cc3)CCC(C)(C)c2c1 |r| Show InChI InChI=1S/C32H36N2O6/c1-22(35)40-29(31(36)37)20-23-10-13-26(14-11-23)39-19-18-34-17-16-32(2,3)27-21-25(12-15-28(27)34)30(33-38-4)24-8-6-5-7-9-24/h5-15,21,29H,16-20H2,1-4H3,(H,36,37)/b33-30+/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50294694 ((S)-2-(2-ethoxy-2-oxoethylamino)-3-(4-(2-(6-((hydr...) Show SMILES CCOC(=O)CN(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H37N3O6/c1-4-40-29(36)22-35(31(37)38)21-23-10-13-26(14-11-23)41-19-18-34-17-16-32(2,3)27-20-25(12-15-28(27)34)30(33-39)24-8-6-5-7-9-24/h5-15,20,30H,4,16-19,21-22H2,1-3H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR GICC Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPARgamma receptor				Bioorg Med Chem Lett 19: 2683-7 (2009) Article DOI: 10.1016/j.bmcl.2009.03.143 BindingDB Entry DOI: 10.7270/Q2KP826B
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234379 (CHEMBL252995 | dimethyl 2-(4-(2-(6-benzoyl-4,4-dim...) Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H35NO6/c1-32(2)16-17-33(28-15-12-24(21-27(28)32)29(34)23-8-6-5-7-9-23)18-19-39-25-13-10-22(11-14-25)20-26(30(35)37-3)31(36)38-4/h5-15,21,26H,16-20H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234378 (CHEMBL399629 | ethyl 2-ethoxy-3-(4-(2-(6-((methoxy...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC |w:3.3| Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234376 (CHEMBL252996 | dimethyl 2-(4-(2-(6-((hydroxyimino)...) Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H36N2O6/c1-32(2)16-17-34(28-15-12-24(21-27(28)32)29(33-37)23-8-6-5-7-9-23)18-19-40-25-13-10-22(11-14-25)20-26(30(35)38-3)31(36)39-4/h5-15,21,26,29H,16-20H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50234374 ((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233184 (Sodium 8-hydroxy-8-(2-pentyloxy-benzo[h]quinolin-3...) Show SMILES CCCCCOc1nc2c(ccc3ccccc23)cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C26H29NO4/c1-2-3-10-17-31-26-22(23(28)13-6-4-5-7-14-24(29)30)18-20-16-15-19-11-8-9-12-21(19)25(20)27-26/h8-9,11-12,15-16,18,23,28H,2-3,5,7,10,13-14,17H2,1H3,(H,29,30)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233182 (8-Hydroxy-8-(2-pentyloxy-benzo[h]quinolin-3-yl)-oc...) Show SMILES CCCCCOc1nc2c(ccc3ccccc23)cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C27H31NO4/c1-3-4-11-18-32-27-23(24(29)14-7-5-6-8-15-25(30)31-2)19-21-17-16-20-12-9-10-13-22(20)26(21)28-27/h9-10,12-13,16-17,19,24,29H,3-4,6,8,11,14-15,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233179 (8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)NCCO Show InChI InChI=1S/C24H32N2O4/c1-2-3-10-17-30-24-20(18-19-11-8-9-12-21(19)26-24)22(28)13-6-4-5-7-14-23(29)25-15-16-27/h8-9,11-12,18,22,27-28H,2-3,5,7,10,13-17H2,1H3,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233178 (Sodium 8-hydroxy-8-[2-(4,4,4-trifluoro-butoxy)-qui...) Show SMILES OC(CC#CCCCC([O-])=O)c1cc2ccccc2nc1OCCCC(F)(F)F Show InChI InChI=1S/C21H22F3NO4/c22-21(23,24)12-7-13-29-20-16(14-15-8-5-6-9-17(15)25-20)18(26)10-3-1-2-4-11-19(27)28/h5-6,8-9,14,18,26H,2,4,7,10-13H2,(H,27,28)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233177 (Sodium 8-hydroxy-8-[2-(3-methoxy-propoxy)-quinolin...) Show SMILES COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C21H25NO5/c1-26-13-8-14-27-21-17(15-16-9-6-7-10-18(16)22-21)19(23)11-4-2-3-5-12-20(24)25/h6-7,9-10,15,19,23H,3,5,8,11-14H2,1H3,(H,24,25)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233175 (Sodium 8-hydroxy-8-(2-methoxy-quinolin-3-yl)-oct-5...) Show SMILES COc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C18H19NO4/c1-23-18-14(12-13-8-6-7-9-15(13)19-18)16(20)10-4-2-3-5-11-17(21)22/h6-9,12,16,20H,3,5,10-11H2,1H3,(H,21,22)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233174 (8-Hydroxy-8-[2-(4,4,4-trifluoro-butoxy)-quinolin-3...) Show SMILES COC(=O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCC(F)(F)F Show InChI InChI=1S/C22H24F3NO4/c1-29-20(28)12-5-3-2-4-11-19(27)17-15-16-9-6-7-10-18(16)26-21(17)30-14-8-13-22(23,24)25/h6-7,9-10,15,19,27H,3,5,8,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233173 (8-Hydroxy-8-[2-(3-methoxy-propoxy)-quinolin-3-yl]-...) Show SMILES COCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C22H27NO5/c1-26-14-9-15-28-22-18(16-17-10-7-8-11-19(17)23-22)20(24)12-5-3-4-6-13-21(25)27-2/h7-8,10-11,16,20,24H,4,6,9,12-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM233172 (8-Hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-5-ynoic...) Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C26H35NO4/c1-3-4-5-6-9-14-19-31-26-22(20-21-15-12-13-16-23(21)27-26)24(28)17-10-7-8-11-18-25(29)30-2/h12-13,15-16,20,24,28H,3-6,8-9,11,14,17-19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50172813 (8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C23H29NO4/c1-3-4-11-16-28-23-19(17-18-12-9-10-13-20(18)24-23)21(25)14-7-5-6-8-15-22(26)27-2/h9-10,12-13,17,21,25H,3-4,6,8,11,14-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	>-26.5	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234373 (CHEMBL253851 | ethyl 2-ethoxy-3-(4-(2-(6-((hydroxy...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C33H40N2O5/c1-5-38-30(32(36)39-6-2)22-24-12-15-27(16-13-24)40-21-20-35-19-18-33(3,4)28-23-26(14-17-29(28)35)31(34-37)25-10-8-7-9-11-25/h7-17,23,30-31H,5-6,18-22H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	189	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by GAL4 transactivation assay				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28798 ((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...) Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	414	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by GAL4 transactivation assay				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234375 ((S)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
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
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by GAL4 transactivation assay				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234377 (2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O |w:3.3| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by GAL4 transactivation assay				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28798 ((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...) Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r| Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234378 (CHEMBL399629 | ethyl 2-ethoxy-3-(4-(2-(6-((methoxy...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC |w:3.3| Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234372 ((R)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...) Show SMILES CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	65	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234374 ((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234374 ((S)-ethyl 2-ethoxy-3-(4-(2-(6-((methoxyimino)(phen...) Show SMILES CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by GAL4 transactivation assay				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234372 ((R)-2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)met...) Show SMILES CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	194	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by GAL4 transactivation assay				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234378 (CHEMBL399629 | ethyl 2-ethoxy-3-(4-(2-(6-((methoxy...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(=O)OCC |w:3.3| Show InChI InChI=1S/C34H42N2O5/c1-6-39-31(33(37)40-7-2)23-25-13-16-28(17-14-25)41-22-21-36-20-19-34(3,4)29-24-27(15-18-30(29)36)32(35-38-5)26-11-9-8-10-12-26/h8-18,24,31H,6-7,19-23H2,1-5H3/b35-32-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha by GAL4 transactivation assay				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
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	4	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234376 (CHEMBL252996 | dimethyl 2-(4-(2-(6-((hydroxyimino)...) Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(N=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H36N2O6/c1-32(2)16-17-34(28-15-12-24(21-27(28)32)29(33-37)23-8-6-5-7-9-23)18-19-40-25-13-10-22(11-14-25)20-26(30(35)38-3)31(36)39-4/h5-15,21,26,29H,16-20H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	195	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234377 (2-ethoxy-3-(4-(2-(6-((methoxyimino)(phenyl)methyl)...) Show SMILES CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=N/OC)\c2ccccc2)cc1)C(O)=O |w:3.3| Show InChI InChI=1S/C32H38N2O5/c1-5-38-29(31(35)36)21-23-11-14-26(15-12-23)39-20-19-34-18-17-32(2,3)27-22-25(13-16-28(27)34)30(33-37-4)24-9-7-6-8-10-24/h6-16,22,29H,5,17-21H2,1-4H3,(H,35,36)/b33-30-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50234379 (CHEMBL252995 | dimethyl 2-(4-(2-(6-benzoyl-4,4-dim...) Show SMILES COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(ccc23)C(=O)c2ccccc2)cc1)C(=O)OC Show InChI InChI=1S/C32H35NO6/c1-32(2)16-17-33(28-15-12-24(21-27(28)32)29(34)23-8-6-5-7-9-23)18-19-39-25-13-10-22(11-14-25)20-26(30(35)37-3)31(36)38-4/h5-15,21,26H,16-20H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	152	n/a	n/a	n/a	n/a
SPOT-EA3857 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643				Bioorg Med Chem Lett 18: 1617-22 (2008) Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW
					More data for this Ligand-Target Pair

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