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6 similar compounds to monomer 50312419

Compile data set for download or QSAR
Wt: 513.4
BDBM50312394
Wt: 529.4
BDBM50312395
Wt: 521.5
BDBM50312398
Wt: 557.5
BDBM50312421
Wt: 610.5
BDBM50312429
Wt: 475.4
BDBM50312450

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50312394,50312395,50312398,50312421,50312429,50312450   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50312398
PNG
(CHEMBL1079911 | {4-[5-Biphenyl-4-yl-4-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H27NO6/c1-21-18-27(16-17-28(21)38-20-30(34)35)37-19-29-33-31(24-12-14-26(36-2)15-13-24)32(39-29)25-10-8-23(9-11-25)22-6-4-3-5-7-22/h3-18H,19-20H2,1-2H3,(H,34,35)
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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 PPARgamma 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


(Homo sapiens (Human))
BDBM50312421
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3NO7/c1-17(2)38-21-8-4-19(5-9-21)27-28(20-6-10-22(11-7-20)40-29(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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The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma 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))
BDBM50312421
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3NO7/c1-17(2)38-21-8-4-19(5-9-21)27-28(20-6-10-22(11-7-20)40-29(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 13n/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 by FRET assay


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))
BDBM50312394
PNG
(2-(4-((5-(4-(Trifluoromethyl)phenyl)-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F3NO6/c1-16-13-21(11-12-22(16)36-15-24(32)33)35-14-23-31-25(17-5-9-20(34-2)10-6-17)26(37-23)18-3-7-19(8-4-18)27(28,29)30/h3-13H,14-15H2,1-2H3,(H,32,33)
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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))
BDBM50312395
PNG
(2-(4-((4-(4-Methoxyphenyl)-5-(4-(trifluoromethoxy)...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H22F3NO7/c1-16-13-21(11-12-22(16)36-15-24(32)33)35-14-23-31-25(17-3-7-19(34-2)8-4-17)26(37-23)18-5-9-20(10-6-18)38-27(28,29)30/h3-13H,14-15H2,1-2H3,(H,32,33)
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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))
BDBM50312398
PNG
(CHEMBL1079911 | {4-[5-Biphenyl-4-yl-4-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H27NO6/c1-21-18-27(16-17-28(21)38-20-30(34)35)37-19-29-33-31(24-12-14-26(36-2)15-13-24)32(39-29)25-10-8-23(9-11-25)22-6-4-3-5-7-22/h3-18H,19-20H2,1-2H3,(H,34,35)
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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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50312394
PNG
(2-(4-((5-(4-(Trifluoromethyl)phenyl)-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F3NO6/c1-16-13-21(11-12-22(16)36-15-24(32)33)35-14-23-31-25(17-5-9-20(34-2)10-6-17)26(37-23)18-3-7-19(8-4-18)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 PPARalpha 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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50312395
PNG
(2-(4-((4-(4-Methoxyphenyl)-5-(4-(trifluoromethoxy)...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H22F3NO7/c1-16-13-21(11-12-22(16)36-15-24(32)33)35-14-23-31-25(17-3-7-19(34-2)8-4-17)26(37-23)18-5-9-20(10-6-18)38-27(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 PPARalpha 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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50312398
PNG
(CHEMBL1079911 | {4-[5-Biphenyl-4-yl-4-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H27NO6/c1-21-18-27(16-17-28(21)38-20-30(34)35)37-19-29-33-31(24-12-14-26(36-2)15-13-24)32(39-29)25-10-8-23(9-11-25)22-6-4-3-5-7-22/h3-18H,19-20H2,1-2H3,(H,34,35)
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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 PPARalpha 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


(Homo sapiens (Human))
BDBM50312394
PNG
(2-(4-((5-(4-(Trifluoromethyl)phenyl)-4-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H22F3NO6/c1-16-13-21(11-12-22(16)36-15-24(32)33)35-14-23-31-25(17-5-9-20(34-2)10-6-17)26(37-23)18-3-7-19(8-4-18)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 PPARgamma 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


(Homo sapiens (Human))
BDBM50312395
PNG
(2-(4-((4-(4-Methoxyphenyl)-5-(4-(trifluoromethoxy)...)
Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H22F3NO7/c1-16-13-21(11-12-22(16)36-15-24(32)33)35-14-23-31-25(17-3-7-19(34-2)8-4-17)26(37-23)18-5-9-20(10-6-18)38-27(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 PPARgamma 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))
BDBM50312421
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3NO7/c1-17(2)38-21-8-4-19(5-9-21)27-28(20-6-10-22(11-7-20)40-29(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 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))
BDBM50312429
PNG
(2-(4-((4-(4-(Piperidin-1-yl)phenyl)-5-(4-(trifluor...)
Show SMILES Cc1cc(OCc2nc(c(o2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(cc2)C(=O)N2CCCCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C32H29F3N2O7/c1-20-17-25(13-14-26(20)42-19-28(38)39)41-18-27-36-29(30(43-27)22-9-11-24(12-10-22)44-32(33,34)35)21-5-7-23(8-6-21)31(40)37-15-3-2-4-16-37/h5-14,17H,2-4,15-16,18-19H2,1H3,(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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50312429
PNG
(2-(4-((4-(4-(Piperidin-1-yl)phenyl)-5-(4-(trifluor...)
Show SMILES Cc1cc(OCc2nc(c(o2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(cc2)C(=O)N2CCCCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C32H29F3N2O7/c1-20-17-25(13-14-26(20)42-19-28(38)39)41-18-27-36-29(30(43-27)22-9-11-24(12-10-22)44-32(33,34)35)21-5-7-23(8-6-21)31(40)37-15-3-2-4-16-37/h5-14,17H,2-4,15-16,18-19H2,1H3,(H,38,39)
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n/an/an/an/a 1.15E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha 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 alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50312421
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3NO7/c1-17(2)38-21-8-4-19(5-9-21)27-28(20-6-10-22(11-7-20)40-29(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 2.60E+3n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha 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 alpha (PPAR alpha)


(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>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha 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


(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>1.00E+4n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma 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


(Mus musculus)
BDBM50312421
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3NO7/c1-17(2)38-21-8-4-19(5-9-21)27-28(20-6-10-22(11-7-20)40-29(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 9n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta by FRET assay


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


(Homo sapiens (Human))
BDBM50312429
PNG
(2-(4-((4-(4-(Piperidin-1-yl)phenyl)-5-(4-(trifluor...)
Show SMILES Cc1cc(OCc2nc(c(o2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(cc2)C(=O)N2CCCCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C32H29F3N2O7/c1-20-17-25(13-14-26(20)42-19-28(38)39)41-18-27-36-29(30(43-27)22-9-11-24(12-10-22)44-32(33,34)35)21-5-7-23(8-6-21)31(40)37-15-3-2-4-16-37/h5-14,17H,2-4,15-16,18-19H2,1H3,(H,38,39)
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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 PPARgamma 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