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Compile Data Set for Download or QSAR

Found 136 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50031381   
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 delta


(Homo sapiens (Human))
BDBM50312445
PNG
(2-(4-((4-(4-(Methylsulfonamide)phenyl)-5-(4-(trifl...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(NS(C)(=O)=O)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C27H23F3N2O7S2/c1-16-13-21(11-12-22(16)38-15-24(33)34)37-14-23-31-25(17-3-7-19(8-4-17)32-41(2,35)36)26(40-23)18-5-9-20(10-6-18)39-27(28,29)30/h3-13,32H,14-15H2,1-2H3,(H,33,34)
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n/an/an/an/a 775n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312457
PNG
(2-(4-(4-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCOc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C30H31NO6S2/c1-20-18-25(14-15-26(20)37-19-27(32)33)36-16-4-5-17-38-30-31-28(21-6-10-23(34-2)11-7-21)29(39-30)22-8-12-24(35-3)13-9-22/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,32,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312458
PNG
(2-(4-(3-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCOc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C29H29NO6S2/c1-19-17-24(13-14-25(19)36-18-26(31)32)35-15-4-16-37-29-30-27(20-5-9-22(33-2)10-6-20)28(38-29)21-7-11-23(34-3)12-8-21/h5-14,17H,4,15-16,18H2,1-3H3,(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312459
PNG
((4-{2-[4,5-Bis(4-methoxyphenyl)thiazol-2-ylsulfany...)
Show SMILES COc1ccc(cc1)-c1nc(SCCOc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C28H27NO6S2/c1-18-16-23(12-13-24(18)35-17-25(30)31)34-14-15-36-28-29-26(19-4-8-21(32-2)9-5-19)27(37-28)20-6-10-22(33-3)11-7-20/h4-13,16H,14-15,17H2,1-3H3,(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312460
PNG
(2-(4-(4-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCCOc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C29H28ClNO6S2/c1-34-21-9-5-19(6-10-21)27-28(20-7-11-22(35-2)12-8-20)39-29(31-27)38-16-4-3-15-36-25-14-13-23(17-24(25)30)37-18-26(32)33/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,32,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312461
PNG
(2-(4-(3-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)...)
Show SMILES COc1ccc(cc1)-c1nc(SCCCOc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C28H26ClNO6S2/c1-33-20-8-4-18(5-9-20)26-27(19-6-10-21(34-2)11-7-19)38-28(30-26)37-15-3-14-35-24-13-12-22(16-23(24)29)36-17-25(31)32/h4-13,16H,3,14-15,17H2,1-2H3,(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312462
PNG
(2-(4-(2-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)...)
Show SMILES COc1ccc(cc1)-c1nc(SCCOc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H24ClNO6S2/c1-32-19-7-3-17(4-8-19)25-26(18-5-9-20(33-2)10-6-18)37-27(29-25)36-14-13-34-23-12-11-21(15-22(23)28)35-16-24(30)31/h3-12,15H,13-14,16H2,1-2H3,(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50126016
PNG
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12
Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27)
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n/an/an/an/a 12n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312463
PNG
(2-(4-((cyclohexyl(2-(2,4-dichlorophenylamino)-2-ox...)
Show SMILES Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C24H28Cl2N2O4/c1-16-11-17(7-10-22(16)32-15-24(30)31)13-28(19-5-3-2-4-6-19)14-23(29)27-21-9-8-18(25)12-20(21)26/h7-12,19H,2-6,13-15H2,1H3,(H,27,29)(H,30,31)
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n/an/an/an/a 3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312464
PNG
(2-(4-(3-(4-bromophenyl)-5-(4-(trifluoromethyl)phen...)
Show SMILES Cc1cc(OC\C=C(/C#Cc2ccc(cc2)C(F)(F)F)c2ccc(Br)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C27H20BrF3O4/c1-18-16-24(12-13-25(18)35-17-26(32)33)34-15-14-21(20-6-10-23(28)11-7-20)5-2-19-3-8-22(9-4-19)27(29,30)31/h3-4,6-14,16H,15,17H2,1H3,(H,32,33)/b21-14+
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n/an/an/an/a 130n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50184652
PNG
(CHEMBL210469 | [4-(4,4''-Bis-trifluoromethyl-[1,1'...)
Show SMILES Cc1cc(OCc2cc(cc(c2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C30H22F6O4/c1-18-12-26(10-11-27(18)40-17-28(37)38)39-16-19-13-22(20-2-6-24(7-3-20)29(31,32)33)15-23(14-19)21-4-8-25(9-5-21)30(34,35)36/h2-15H,16-17H2,1H3,(H,37,38)
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n/an/an/an/a 10n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312465
PNG
(2-(3-(4-(2-(3,5-dichlorophenoxy)ethylcarbamoyl)-5-...)
Show SMILES OC(=O)Cc1cccc(c1)-c1noc(c1C(=O)NCCOc1cc(Cl)cc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C26H20Cl2N2O5/c27-19-13-20(28)15-21(14-19)34-10-9-29-26(33)23-24(18-8-4-5-16(11-18)12-22(31)32)30-35-25(23)17-6-2-1-3-7-17/h1-8,11,13-15H,9-10,12H2,(H,29,33)(H,31,32)
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n/an/an/an/a 70n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312466
PNG
(2-(3-(4,5-bis(4-methoxyphenyl)thiazol-2-ylthio)phe...)
Show SMILES COc1ccc(cc1)-c1nc(Sc2cccc(c2)C(C)C(O)=O)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H23NO4S2/c1-16(25(28)29)19-5-4-6-22(15-19)32-26-27-23(17-7-11-20(30-2)12-8-17)24(33-26)18-9-13-21(31-3)14-10-18/h4-16H,1-3H3,(H,28,29)
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n/an/an/an/a 3.20E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312467
PNG
(2-(4-((5-(4-(Trifluoromethyl)phenyl)-4-(4-isopropo...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H26F3NO5S/c1-17(2)38-22-10-6-19(7-11-22)27-28(20-4-8-21(9-5-20)29(30,31)32)39-25(33-27)15-36-23-12-13-24(18(3)14-23)37-16-26(34)35/h4-14,17H,15-16H2,1-3H3,(H,34,35)
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n/an/an/an/a 11n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312468
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(3-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C29H26F3NO6S/c1-17(2)38-21-9-7-19(8-10-21)27-28(20-5-4-6-23(14-20)39-29(30,31)32)40-25(33-27)15-36-22-11-12-24(18(3)13-22)37-16-26(34)35/h4-14,17H,15-16H2,1-3H3,(H,34,35)
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n/an/an/an/a 9n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312469
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-propylphenyl)th...)
Show SMILES CCCc1ccc(cc1)-c1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H33NO5S/c1-5-6-22-7-9-24(10-8-22)31-30(23-11-13-25(14-12-23)37-20(2)3)32-28(38-31)18-35-26-15-16-27(21(4)17-26)36-19-29(33)34/h7-17,20H,5-6,18-19H2,1-4H3,(H,33,34)
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n/an/an/an/a 11n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312470
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-biphenyl)thiazo...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5S/c1-22(2)40-28-15-13-26(14-16-28)33-34(27-11-9-25(10-12-27)24-7-5-4-6-8-24)41-31(35-33)20-38-29-17-18-30(23(3)19-29)39-21-32(36)37/h4-19,22H,20-21H2,1-3H3,(H,36,37)
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n/an/an/an/a 9n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312471
PNG
(2-(4-((4-(4-Morpholinophenyl)-5-(4-biphenyl)thiazo...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)N2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C35H32N2O5S/c1-24-21-30(15-16-31(24)42-23-33(38)39)41-22-32-36-34(27-11-13-29(14-12-27)37-17-19-40-20-18-37)35(43-32)28-9-7-26(8-10-28)25-5-3-2-4-6-25/h2-16,21H,17-20,22-23H2,1H3,(H,38,39)
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n/an/an/an/a 18n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312472
PNG
(2-(4-((5-(4-Biphenyl)-4-(pyridin-3-yl)oxazol-2-yl)...)
Show SMILES Cc1cc(OCc2nc(c(o2)-c2ccc(cc2)-c2ccccc2)-c2cccnc2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H24N2O5/c1-20-16-25(13-14-26(20)36-19-28(33)34)35-18-27-32-29(24-8-5-15-31-17-24)30(37-27)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-17H,18-19H2,1H3,(H,33,34)
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n/an/an/an/a 8n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312477
PNG
(2-(4-((4-(2-Methoxypyrimidin-5-yl)-5-(4-propylphen...)
Show SMILES CCCc1ccc(cc1)-c1oc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1cnc(OC)nc1
Show InChI InChI=1S/C27H27N3O6/c1-4-5-18-6-8-19(9-7-18)26-25(20-13-28-27(33-3)29-14-20)30-23(36-26)15-34-21-10-11-22(17(2)12-21)35-16-24(31)32/h6-14H,4-5,15-16H2,1-3H3,(H,31,32)
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n/an/an/an/a 9n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor 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 5n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312455
PNG
(2-(4-((4,5-Bis(4-methoxyphenyl)thiazol-2-yl)methyl...)
Show SMILES COc1ccc(cc1)-c1nc(CSc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22ClNO5S2/c1-31-18-7-3-16(4-8-18)25-26(17-5-9-19(32-2)10-6-17)35-23(28-25)15-34-22-12-11-20(13-21(22)27)33-14-24(29)30/h3-13H,14-15H2,1-2H3,(H,29,30)
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n/an/an/an/a 30n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312448
PNG
(CHEMBL1081964 | {4-[4,5-Bis(4-methoxyphenyl)thiazo...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H25NO6S/c1-17-14-22(12-13-23(17)34-16-25(29)30)33-15-24-28-26(18-4-8-20(31-2)9-5-18)27(35-24)19-6-10-21(32-3)11-7-19/h4-14H,15-16H2,1-3H3,(H,29,30)
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n/an/an/an/a 100n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312450
PNG
(CHEMBL1080363 | {4-[4,5-Bis(4-methoxyphenyl)oxazol...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H25NO7/c1-17-14-22(12-13-23(17)34-16-25(29)30)33-15-24-28-26(18-4-8-20(31-2)9-5-18)27(35-24)19-6-10-21(32-3)11-7-19/h4-14H,15-16H2,1-3H3,(H,29,30)
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n/an/an/an/a 120n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312456
PNG
(2-(4-((4,5-Bis(4-methoxyphenyl)oxazol-2-yl)methylt...)
Show SMILES COc1ccc(cc1)-c1nc(CSc2ccc(OCC(O)=O)cc2Cl)oc1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22ClNO6S/c1-31-18-7-3-16(4-8-18)25-26(17-5-9-19(32-2)10-6-17)34-23(28-25)15-35-22-12-11-20(13-21(22)27)33-14-24(29)30/h3-13H,14-15H2,1-2H3,(H,29,30)
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n/an/an/an/a 250n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312449
PNG
(2-(4-((4,5-Bis(4-methoxyphenyl)thiazol-2-yl)methyl...)
Show SMILES COc1ccc(cc1)-c1nc(CSc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H25NO5S2/c1-17-14-22(12-13-23(17)33-15-25(29)30)34-16-24-28-26(18-4-8-20(31-2)9-5-18)27(35-24)19-6-10-21(32-3)11-7-19/h4-14H,15-16H2,1-3H3,(H,29,30)
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n/an/an/an/a 470n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312451
PNG
(2-(4-((4,5-Bis(4-methoxyphenyl)oxazol-2-yl)methylt...)
Show SMILES COc1ccc(cc1)-c1nc(CSc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H25NO6S/c1-17-14-22(12-13-23(17)33-15-25(29)30)35-16-24-28-26(18-4-8-20(31-2)9-5-18)27(34-24)19-6-10-21(32-3)11-7-19/h4-14H,15-16H2,1-3H3,(H,29,30)
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n/an/an/an/a 660n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312454
PNG
(2-(4-((4,5-Bis(4-methoxyphenyl)thiazol-2-yl)methox...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22ClNO6S/c1-31-18-7-3-16(4-8-18)25-26(17-5-9-19(32-2)10-6-17)35-23(28-25)14-34-22-12-11-20(13-21(22)27)33-15-24(29)30/h3-13H,14-15H2,1-2H3,(H,29,30)
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n/an/an/an/a 810n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312447
PNG
(CHEMBL1080187 | {4-[4,5-Bis(4-methoxyphenyl)thiazo...)
Show SMILES COc1ccc(cc1)-c1nc(Sc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H23NO5S2/c1-16-14-21(12-13-22(16)32-15-23(28)29)33-26-27-24(17-4-8-19(30-2)9-5-17)25(34-26)18-6-10-20(31-3)11-7-18/h4-14H,15H2,1-3H3,(H,28,29)
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n/an/an/an/a 1.41E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312385
PNG
(2-(4-((4,5-di(biphenyl-4-yl)thiazol-2-yl)methoxy)-...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)-c2ccccc2)ccc1OCC(O)=O
Show InChI InChI=1S/C37H29NO4S/c1-25-22-32(20-21-33(25)42-24-35(39)40)41-23-34-38-36(30-16-12-28(13-17-30)26-8-4-2-5-9-26)37(43-34)31-18-14-29(15-19-31)27-10-6-3-7-11-27/h2-22H,23-24H2,1H3,(H,39,40)
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n/an/an/an/a 130n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312388
PNG
(2-(4-((5-(4-chlorophenyl)-4-phenylthiazol-2-yl)met...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(Cl)cc2)-c2ccccc2)ccc1OCC(O)=O
Show InChI InChI=1S/C25H20ClNO4S/c1-16-13-20(11-12-21(16)31-15-23(28)29)30-14-22-27-24(17-5-3-2-4-6-17)25(32-22)18-7-9-19(26)10-8-18/h2-13H,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 130n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312378
PNG
(2-(4-((4-(4-methoxyphenyl)-5-phenylthiazol-2-yl)me...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccccc1
Show InChI InChI=1S/C26H23NO5S/c1-17-14-21(12-13-22(17)32-16-24(28)29)31-15-23-27-25(18-8-10-20(30-2)11-9-18)26(33-23)19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,28,29)
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n/an/an/an/a 190n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312383
PNG
(2-(2-methyl-4-((4-(pyridin-3-yl)-5-p-tolylthiazol-...)
Show SMILES Cc1ccc(cc1)-c1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1cccnc1
Show InChI InChI=1S/C25H22N2O4S/c1-16-5-7-18(8-6-16)25-24(19-4-3-11-26-13-19)27-22(32-25)14-30-20-9-10-21(17(2)12-20)31-15-23(28)29/h3-13H,14-15H2,1-2H3,(H,28,29)
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n/an/an/an/a 190n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312382
PNG
(2-(4-((5-(4-chlorophenyl)-4-methylthiazol-2-yl)met...)
Show SMILES Cc1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClNO4S/c1-12-9-16(7-8-17(12)26-11-19(23)24)25-10-18-22-13(2)20(27-18)14-3-5-15(21)6-4-14/h3-9H,10-11H2,1-2H3,(H,23,24)
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n/an/an/an/a 320n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312392
PNG
(2-(4-((4-(biphenyl-4-yl)thiazol-2-yl)methoxy)-2-me...)
Show SMILES Cc1cc(OCc2nc(cs2)-c2ccc(cc2)-c2ccccc2)ccc1OCC(O)=O
Show InChI InChI=1S/C25H21NO4S/c1-17-13-21(11-12-23(17)30-15-25(27)28)29-14-24-26-22(16-31-24)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-13,16H,14-15H2,1H3,(H,27,28)
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n/an/an/an/a 340n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312377
PNG
(2-(4-((4,5-bis(4-(trifluoromethyl)phenyl)thiazol-2...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)C(F)(F)F)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C27H19F6NO4S/c1-15-12-20(10-11-21(15)38-14-23(35)36)37-13-22-34-24(16-2-6-18(7-3-16)26(28,29)30)25(39-22)17-4-8-19(9-5-17)27(31,32)33/h2-12H,13-14H2,1H3,(H,35,36)
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n/an/an/an/a 350n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312386
PNG
(2-(4-((4,5-bis(4-chlorophenyl)thiazol-2-yl)methoxy...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C25H19Cl2NO4S/c1-15-12-20(10-11-21(15)32-14-23(29)30)31-13-22-28-24(16-2-6-18(26)7-3-16)25(33-22)17-4-8-19(27)9-5-17/h2-12H,13-14H2,1H3,(H,29,30)
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n/an/an/an/a 510n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312393
PNG
(2-(2-methyl-4-((4-(4-(trifluoromethyl)phenyl)thiaz...)
Show SMILES Cc1cc(OCc2nc(cs2)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Show InChI InChI=1S/C20H16F3NO4S/c1-12-8-15(6-7-17(12)28-10-19(25)26)27-9-18-24-16(11-29-18)13-2-4-14(5-3-13)20(21,22)23/h2-8,11H,9-10H2,1H3,(H,25,26)
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n/an/an/an/a 1.39E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312376
PNG
(2-(2-methyl-4-((5-methyl-4-(4-(trifluoromethyl)phe...)
Show SMILES Cc1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO4S/c1-12-9-16(7-8-17(12)29-11-19(26)27)28-10-18-25-20(13(2)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 2.40E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312387
PNG
(2-(4-((5-(4-methoxyphenyl)-4-phenylthiazol-2-yl)me...)
Show SMILES COc1ccc(cc1)-c1sc(COc2ccc(OCC(O)=O)c(C)c2)nc1-c1ccccc1
Show InChI InChI=1S/C26H23NO5S/c1-17-14-21(12-13-22(17)32-16-24(28)29)31-15-23-27-25(18-6-4-3-5-7-18)26(33-23)19-8-10-20(30-2)11-9-19/h3-14H,15-16H2,1-2H3,(H,28,29)
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n/an/an/an/a 2.62E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312390
PNG
(2-(4-((4-(4-methoxyphenyl)thiazol-2-yl)methoxy)-2-...)
Show SMILES COc1ccc(cc1)-c1csc(COc2ccc(OCC(O)=O)c(C)c2)n1
Show InChI InChI=1S/C20H19NO5S/c1-13-9-16(7-8-18(13)26-11-20(22)23)25-10-19-21-17(12-27-19)14-3-5-15(24-2)6-4-14/h3-9,12H,10-11H2,1-2H3,(H,22,23)
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n/an/an/an/a 4.06E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312391
PNG
(2-(4-((4-(4-chlorophenyl)thiazol-2-yl)methoxy)-2-m...)
Show SMILES Cc1cc(OCc2nc(cs2)-c2ccc(Cl)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C19H16ClNO4S/c1-12-8-15(6-7-17(12)25-10-19(22)23)24-9-18-21-16(11-26-18)13-2-4-14(20)5-3-13/h2-8,11H,9-10H2,1H3,(H,22,23)
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n/an/an/an/a 4.71E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312379
PNG
(2-(4-((4-(4-chlorophenyl)-5-phenylthiazol-2-yl)met...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccccc2)-c2ccc(Cl)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C25H20ClNO4S/c1-16-13-20(11-12-21(16)31-15-23(28)29)30-14-22-27-24(17-7-9-19(26)10-8-17)25(32-22)18-5-3-2-4-6-18/h2-13H,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 5.90E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312380
PNG
(2-(2-methyl-4-((4-methyl-5-p-tolylthiazol-2-yl)met...)
Show SMILES Cc1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(C)cc1
Show InChI InChI=1S/C21H21NO4S/c1-13-4-6-16(7-5-13)21-15(3)22-19(27-21)11-25-17-8-9-18(14(2)10-17)26-12-20(23)24/h4-10H,11-12H2,1-3H3,(H,23,24)
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n/an/an/an/a 6.32E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312417
PNG
(2-(4-((5-(2-(Trifluoromethyl)phenyl)-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H22F3NO5S/c1-16-13-19(11-12-22(16)36-15-24(32)33)35-14-23-31-25(17-7-9-18(34-2)10-8-17)26(37-23)20-5-3-4-6-21(20)27(28,29)30/h3-13H,14-15H2,1-2H3,(H,32,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312418
PNG
(2-(4-((4-(4-Methoxyphenyl)-5-(naphthalen-1-yl)thia...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1cccc2ccccc12
Show InChI InChI=1S/C30H25NO5S/c1-19-16-23(14-15-26(19)36-18-28(32)33)35-17-27-31-29(21-10-12-22(34-2)13-11-21)30(37-27)25-9-5-7-20-6-3-4-8-24(20)25/h3-16H,17-18H2,1-2H3,(H,32,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312452
PNG
(2-(4-((4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)me...)
Show SMILES COc1ccc(cc1)-c1nc(SCc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22ClNO5S2/c1-31-19-8-3-16(4-9-19)24-25(17-5-10-20(32-2)11-6-17)35-26(28-24)34-15-18-7-12-21(13-22(18)27)33-14-23(29)30/h3-13H,14-15H2,1-2H3,(H,29,30)
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n/an/an/an/a 3.30E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312446
PNG
(CHEMBL1081951 | {4-[4,5-Bis(4-methoxyphenyl)thiazo...)
Show SMILES COc1ccc(cc1)-c1nc(SCc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H25NO5S2/c1-17-14-18(4-13-23(17)33-15-24(29)30)16-34-27-28-25(19-5-9-21(31-2)10-6-19)26(35-27)20-7-11-22(32-3)12-8-20/h4-14H,15-16H2,1-3H3,(H,29,30)
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n/an/an/an/a 5.67E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312453
PNG
(2-(4-(4,5-Bis(4-methoxyphenyl)thiazol-2-ylthio)-3-...)
Show SMILES COc1ccc(cc1)-c1nc(Sc2ccc(OCC(O)=O)cc2Cl)sc1-c1ccc(OC)cc1
Show InChI InChI=1S/C25H20ClNO5S2/c1-30-17-7-3-15(4-8-17)23-24(16-5-9-18(31-2)10-6-16)34-25(27-23)33-21-12-11-19(13-20(21)26)32-14-22(28)29/h3-13H,14H2,1-2H3,(H,28,29)
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n/an/an/an/a 6.36E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50312480
PNG
(2-(4-((4-(2-Isopropoxypyrimidin-5-yl)-5-(4-(triflu...)
Show SMILES CC(C)Oc1ncc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N3O7/c1-15(2)38-26-31-11-18(12-32-26)24-25(17-4-6-19(7-5-17)40-27(28,29)30)39-22(33-24)13-36-20-8-9-21(16(3)10-20)37-14-23(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 1n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
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