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Compile Data Set for Download or QSAR

Found 12292 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349809
PNG
(CHEMBL1813006)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O
Show InChI InChI=1S/C21H23NO5S/c1-4-25-18(21(23)24)11-15-6-8-16(9-7-15)26-12-17-14(3)27-20(22-17)19-10-5-13(2)28-19/h5-10,18H,4,11-12H2,1-3H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.0000500n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349808
PNG
(CHEMBL1813005)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O
Show InChI InChI=1S/C21H23NO5S/c1-4-25-18(21(23)24)11-15-5-7-16(8-6-15)26-12-17-14(3)27-20(22-17)19-13(2)9-10-28-19/h5-10,18H,4,11-12H2,1-3H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.0000600n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349812
PNG
(CHEMBL1813010)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O
Show InChI InChI=1S/C22H25NO5S/c1-4-26-19(22(24)25)13-16-5-7-17(8-6-16)27-11-9-18-15(3)28-21(23-18)20-14(2)10-12-29-20/h5-8,10,12,19H,4,9,11,13H2,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/an/an/a 0.0000700n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50349812
PNG
(CHEMBL1813010)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O
Show InChI InChI=1S/C22H25NO5S/c1-4-26-19(22(24)25)13-16-5-7-17(8-6-16)27-11-9-18-15(3)28-21(23-18)20-14(2)10-12-29-20/h5-8,10,12,19H,4,9,11,13H2,1-3H3,(H,24,25)/t19-/m0/s1
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Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50349809
PNG
(CHEMBL1813006)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O
Show InChI InChI=1S/C21H23NO5S/c1-4-25-18(21(23)24)11-15-6-8-16(9-7-15)26-12-17-14(3)27-20(22-17)19-10-5-13(2)28-19/h5-10,18H,4,11-12H2,1-3H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.000200n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50349808
PNG
(CHEMBL1813005)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O
Show InChI InChI=1S/C21H23NO5S/c1-4-25-18(21(23)24)11-15-5-7-16(8-6-15)26-12-17-14(3)27-20(22-17)19-13(2)9-10-28-19/h5-10,18H,4,11-12H2,1-3H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.000300n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349813
PNG
(CHEMBL1813011)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O
Show InChI InChI=1S/C22H25NO5S/c1-4-26-19(22(24)25)13-16-6-8-17(9-7-16)27-12-11-18-15(3)28-21(23-18)20-10-5-14(2)29-20/h5-10,19H,4,11-13H2,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/an/an/a 0.000310n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50349807
PNG
(CHEMBL1813003)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2cccs2)cc1)C(O)=O
Show InChI InChI=1S/C20H21NO5S/c1-3-24-17(20(22)23)11-14-6-8-15(9-7-14)25-12-16-13(2)26-19(21-16)18-5-4-10-27-18/h4-10,17H,3,11-12H2,1-2H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a 0.00150n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50256106
PNG
(4-(4-(5-methyl-2-p-tolyloxazol-4-yl)butoxyimino)-4...)
Show SMILES Cc1oc(nc1CCCCO\N=C(/CCC(O)=O)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H28N2O4/c1-18-11-13-21(14-12-18)25-26-22(19(2)31-25)10-6-7-17-30-27-23(15-16-24(28)29)20-8-4-3-5-9-20/h3-5,8-9,11-14H,6-7,10,15-17H2,1-2H3,(H,28,29)/b27-23+
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n/an/an/an/a 0.00380n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transactivation expressed in human HePG2 cells


Bioorg Med Chem Lett 18: 6471-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.062
BindingDB Entry DOI: 10.7270/Q2BK1D9Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50349813
PNG
(CHEMBL1813011)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O
Show InChI InChI=1S/C22H25NO5S/c1-4-26-19(22(24)25)13-16-6-8-17(9-7-16)27-12-11-18-15(3)28-21(23-18)20-10-5-14(2)29-20/h5-10,19H,4,11-13H2,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/an/an/a 0.0180n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349807
PNG
(CHEMBL1813003)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2cccs2)cc1)C(O)=O
Show InChI InChI=1S/C20H21NO5S/c1-3-24-17(20(22)23)11-14-6-8-15(9-7-14)25-12-16-13(2)26-19(21-16)18-5-4-10-27-18/h4-10,17H,3,11-12H2,1-2H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a 0.0260n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50261879
PNG
(2-Methyl-c-5-{4-[2-(5-methyl-2-(5-methylthiophen-2...)
Show SMILES Cc1ccc(s1)-c1nc(CCOc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1
Show InChI InChI=1S/C24H27NO6S/c1-15-4-9-21(32-15)22-25-20(16(2)31-22)10-11-28-19-7-5-17(6-8-19)12-18-13-29-24(3,23(26)27)30-14-18/h4-9,18H,10-14H2,1-3H3,(H,26,27)/t18-,24+
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n/an/an/an/a 0.0300n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50213701
PNG
((R)-2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)...)
Show SMILES CC[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O4S/c1-3-15(11-27-17-6-4-16(5-7-17)21(22,23)24)13-29-18-8-9-19(14(2)10-18)28-12-20(25)26/h4-10,15H,3,11-13H2,1-2H3,(H,25,26)/t15-/m1/s1
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n/an/an/an/a 0.0300n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta receptor by cell based transactivation assay


Bioorg Med Chem Lett 17: 3855-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.007
BindingDB Entry DOI: 10.7270/Q28W3D05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50349811
PNG
(CHEMBL1813008)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cccs2)cc1)C(O)=O
Show InChI InChI=1S/C21H23NO5S/c1-3-25-18(21(23)24)13-15-6-8-16(9-7-15)26-11-10-17-14(2)27-20(22-17)19-5-4-12-28-19/h4-9,12,18H,3,10-11,13H2,1-2H3,(H,23,24)/t18-/m0/s1
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Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50213715
PNG
(2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)meth...)
Show SMILES CCC(COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Show InChI InChI=1S/C21H23F3O4S/c1-3-15(11-27-17-6-4-16(5-7-17)21(22,23)24)13-29-18-8-9-19(14(2)10-18)28-12-20(25)26/h4-10,15H,3,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 0.0600n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta receptor by cell based transactivation assay


Bioorg Med Chem Lett 17: 3855-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.007
BindingDB Entry DOI: 10.7270/Q28W3D05
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50256109
PNG
((2s,5s)-2-methyl-5-(4-((5-methyl-2-p-tolyloxazol-4...)
Show SMILES Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H27NO6/c1-16-4-8-20(9-5-16)23-26-22(17(2)32-23)15-29-21-10-6-18(7-11-21)12-19-13-30-25(3,24(27)28)31-14-19/h4-11,19H,12-15H2,1-3H3,(H,27,28)/t19-,25+
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n/an/an/an/a 0.0720n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50261703
PNG
(2-Methyl-c-5-{4-[2-(5-methyl-2-(4-methylphenyl)oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C26H29NO6/c1-17-4-8-21(9-5-17)24-27-23(18(2)33-24)12-13-30-22-10-6-19(7-11-22)14-20-15-31-26(3,25(28)29)32-16-20/h4-11,20H,12-16H2,1-3H3,(H,28,29)/t20-,26+
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n/an/an/an/a 0.0890n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50004753
PNG
(CHEMBL2282517)
Show SMILES Cc1sc(nc1CCOc1ccc(C[C@@](O)(C(O)=O)c2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H29NO5S/c1-23-30(35-32(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-34(39,33(37)38)29-15-9-8-14-28(29)31(36)25-10-4-2-5-11-25/h2-19,39H,20-22H2,1H3,(H,37,38)/t34-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28783
PNG
((3E)-3-(ethoxyimino)-2-({4-[2-(5-methyl-2-phenyl-1...)
Show SMILES CCO\N=C(/CC)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H30N2O5/c1-4-23(28-32-5-2)22(26(29)30)17-19-11-13-21(14-12-19)31-16-15-24-18(3)33-25(27-24)20-9-7-6-8-10-20/h6-14,22H,4-5,15-17H2,1-3H3,(H,29,30)/b28-23+
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n/an/an/an/a 0.100n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349811
PNG
(CHEMBL1813008)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cccs2)cc1)C(O)=O
Show InChI InChI=1S/C21H23NO5S/c1-3-25-18(21(23)24)13-15-6-8-16(9-7-15)26-11-10-17-14(2)27-20(22-17)19-5-4-12-28-19/h4-9,12,18H,3,10-11,13H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50004753
PNG
(CHEMBL2282517)
Show SMILES Cc1sc(nc1CCOc1ccc(C[C@@](O)(C(O)=O)c2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H29NO5S/c1-23-30(35-32(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-34(39,33(37)38)29-15-9-8-14-28(29)31(36)25-10-4-2-5-11-25/h2-19,39H,20-22H2,1H3,(H,37,38)/t34-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171900
PNG
((S)-3-Phenyl-2-(4-thiophen-2-yl-phenoxy)-propionic...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C19H16O3S/c20-19(21)17(13-14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)18-7-4-12-23-18/h1-12,17H,13H2,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50041007
PNG
(CHEMBL3354987)
Show SMILES Cc1c(cccc1-c1ccc(\C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C24H17FN2O6S/c1-13-17(3-2-4-18(13)23(30)31)19-10-9-16(33-19)11-20-22(29)27(24(32)34-20)12-21(28)26-15-7-5-14(25)6-8-15/h2-11H,12H2,1H3,(H,26,28)(H,30,31)/b20-11+
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n/an/an/an/a 0.160n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
BindingDB Entry DOI: 10.7270/Q2S18434
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 0.180n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human PPARbeta expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 5265-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.053
BindingDB Entry DOI: 10.7270/Q2S46TKZ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28780
PNG
((3E)-3-(butoxyimino)-2-({4-[2-(5-methyl-2-phenyl-1...)
Show SMILES CCCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H32N2O5/c1-4-5-16-33-29-19(2)24(27(30)31)18-21-11-13-23(14-12-21)32-17-15-25-20(3)34-26(28-25)22-9-7-6-8-10-22/h6-14,24H,4-5,15-18H2,1-3H3,(H,30,31)/b29-19+
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n/an/an/an/a 0.190n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50151001
PNG
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration against human peroxisome proliferator activated receptor gamma in Gal4 transactivation assay


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171898
PNG
((S)-3-Phenyl-2-(4-trifluoromethyl-phenoxy)-propion...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50261702
PNG
(2-Methyl-c-5-[4-{2-(5-methyl-2-phenyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C25H27NO6/c1-17-22(26-23(32-17)20-6-4-3-5-7-20)12-13-29-21-10-8-18(9-11-21)14-19-15-30-25(2,24(27)28)31-16-19/h3-11,19H,12-16H2,1-2H3,(H,27,28)/t19-,25+
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n/an/an/an/a 0.272n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50151001
PNG
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1
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n/an/an/an/a 0.280n/an/an/an/a



USDA-ARS

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma


Bioorg Med Chem 16: 3800-8 (2008)


Article DOI: 10.1016/j.bmc.2008.01.051
BindingDB Entry DOI: 10.7270/Q2WW7JKJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50229206
PNG
(CHEMBL253310 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(28-11)13-4-6-14(7-5-13)19(21,22)23)17(30)27-10-12-2-8-15(9-3-12)29-34(31,32)20(24,25)26/h2-9,29H,10H2,1H3,(H,27,30)
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n/an/an/an/a 0.300n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28779
PNG
((3E)-2-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)e...)
Show SMILES CC(C)CO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H32N2O5/c1-18(2)17-33-29-19(3)24(27(30)31)16-21-10-12-23(13-11-21)32-15-14-25-20(4)34-26(28-25)22-8-6-5-7-9-22/h5-13,18,24H,14-17H2,1-4H3,(H,30,31)/b29-19+
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n/an/an/an/a 0.300n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28782
PNG
((3E)-3-(methoxyimino)-2-({4-[2-(5-methyl-2-phenyl-...)
Show SMILES CC\C(=N/OC)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C25H28N2O5/c1-4-22(27-30-3)21(25(28)29)16-18-10-12-20(13-11-18)31-15-14-23-17(2)32-24(26-23)19-8-6-5-7-9-19/h5-13,21H,4,14-16H2,1-3H3,(H,28,29)/b27-22+
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n/an/an/an/a 0.310n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.339n/an/an/an/a



Rikkyo University

Curated by ChEMBL


Assay Description
Transactivation of PPARgamma assessed as induction of alkaline phosphatase activity


Bioorg Med Chem Lett 20: 3344-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.031
BindingDB Entry DOI: 10.7270/Q2C53N33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection as...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50004754
PNG
(CHEMBL2282523)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](O)(C(O)=O)c2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H29NO6/c1-23-30(35-32(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-34(39,33(37)38)29-15-9-8-14-28(29)31(36)25-10-4-2-5-11-25/h2-19,39H,20-22H2,1H3,(H,37,38)/t34-/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a


TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50004754
PNG
(CHEMBL2282523)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](O)(C(O)=O)c2ccccc2C(=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H29NO6/c1-23-30(35-32(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-34(39,33(37)38)29-15-9-8-14-28(29)31(36)25-10-4-2-5-11-25/h2-19,39H,20-22H2,1H3,(H,37,38)/t34-/m0/s1
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TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARgamma DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for Human PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by funct...


Bioorg Med Chem Lett 11: 3111-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00649-7
BindingDB Entry DOI: 10.7270/Q2B27TKM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171895
PNG
((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...)
Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against murine Peroxisome p...


J Med Chem 41: 5020-36 (1999)

Checked by Author
Article DOI: 10.1021/jm9804127
BindingDB Entry DOI: 10.7270/Q20K2B28
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50085044
PNG
((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR gamma receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)


Article DOI: 10.1021/jm990554g
BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28781
PNG
((3E)-3-[(cyclopropylmethoxy)imino]-2-({4-[2-(5-met...)
Show SMILES C\C(=N/OCC1CC1)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H30N2O5/c1-18(29-33-17-21-8-9-21)24(27(30)31)16-20-10-12-23(13-11-20)32-15-14-25-19(2)34-26(28-25)22-6-4-3-5-7-22/h3-7,10-13,21,24H,8-9,14-17H2,1-2H3,(H,30,31)/b29-18+
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n/an/an/an/a 0.360n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50093472
PNG
(CHEMBL3585575)
Show SMILES CC[C@@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(no1)-c1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C23H32N12O8/c24-22-30-16(10-18(32-22)34(6-28-10)20-14(40)12(38)8(4-36)42-20)26-2-1-3-27-17-11-19(33-23(25)31-17)35(7-29-11)21-15(41)13(39)9(5-37)43-21/h6-9,12-15,20-21,36-41H,1-5H2,(H3,24,26,30,32)(H3,25,27,31,33)/t8-,9+,12+,13-,14?,15?,20-,21+
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n/an/an/an/a 0.380n/an/an/an/a



Universitat Rovira i Virgili (URV)

Curated by ChEMBL


Assay Description
Activity at PPARgamma (unknown origin) assessed as transactivation activity by reporter gene assay


J Med Chem 58: 5381-94 (2015)


Article DOI: 10.1021/jm501155f
BindingDB Entry DOI: 10.7270/Q2K07601
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50135450
PNG
((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...)
Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F
Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-
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n/an/an/an/a 0.400n/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
In vitro agonistic activity against RXR alpha in CV-1 cells


Bioorg Med Chem Lett 13: 4071-5 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.048
BindingDB Entry DOI: 10.7270/Q2V987GP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50106109
PNG
(4-Isocyanato-benzoic acid 2-((2,4-bis-trifluoromet...)
Show SMILES CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(cc2)N=C=O)Cc2ccc(cc2C(F)(F)F)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C32H30F6N2O6/c1-30(2,29(43)44)46-26-7-3-5-21(17-26)6-4-14-40(15-16-45-28(42)22-9-12-25(13-10-22)39-20-41)19-23-8-11-24(31(33,34)35)18-27(23)32(36,37)38/h3,5,7-13,17-18H,4,6,14-16,19H2,1-2H3,(H,43,44)
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n/an/an/an/a 0.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonistic transcriptional activity in CV-1 cells expressing Gal4-PPAR gamma chimera


Bioorg Med Chem Lett 11: 2959-62 (2001)


Article DOI: 10.1016/s0960-894x(01)00596-0
BindingDB Entry DOI: 10.7270/Q2V69HWQ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50334843
PNG
((R)-2-(4-((3-(2,4-dichlorophenylcarbamoyl)-3,4-dih...)
Show SMILES Cc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C26H24Cl2N2O4/c1-16-10-17(6-9-24(16)34-15-25(31)32)13-30-14-19-5-3-2-4-18(19)11-23(30)26(33)29-22-8-7-20(27)12-21(22)28/h2-10,12,23H,11,13-15H2,1H3,(H,29,33)(H,31,32)/t23-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARdelta DNA binding domain expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 492-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.117
BindingDB Entry DOI: 10.7270/Q2ST7Q3Q
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/an/an/a 0.5n/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Agonist activity at pSG5-Gal4-tagged human PPAR-beta/delta ligand binding domain expressed in COS1 cells assessed as receptor activation incubated fo...


Eur J Med Chem 94: 229-36 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.006
BindingDB Entry DOI: 10.7270/Q25H7HZR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28784
PNG
((3E)-3-{[(4-fluorophenyl)methoxy]imino}-2-({4-[2-(...)
Show SMILES C\C(=N/OCc1ccc(F)cc1)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C30H29FN2O5/c1-20(33-37-19-23-8-12-25(31)13-9-23)27(30(34)35)18-22-10-14-26(15-11-22)36-17-16-28-21(2)38-29(32-28)24-6-4-3-5-7-24/h3-15,27H,16-19H2,1-2H3,(H,34,35)/b33-20+
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n/an/an/an/a 0.540n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28778
PNG
((3E)-2-({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)e...)
Show SMILES CCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H30N2O5/c1-4-15-32-28-18(2)23(26(29)30)17-20-10-12-22(13-11-20)31-16-14-24-19(3)33-25(27-24)21-8-6-5-7-9-21/h5-13,23H,4,14-17H2,1-3H3,(H,29,30)/b28-18+
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n/an/an/an/a 0.550n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
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