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PubMed code 19275963

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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 gamma


(Homo sapiens (Human))		BDBM50278078
PNG
((1'R*,5'R*)-6-(5-Heptyl-2-Iodo-4-oxocyclopent-2-en...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C(I)=CC1=O |r,c:19|
Show InChI InChI=1S/C18H29IO4/c1-2-3-4-5-7-10-14-16(20)13-15(19)18(14)23-12-9-6-8-11-17(21)22/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-,18+/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


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



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50278205
PNG
(6-((1S,5R)-5-heptyl-4-oxocyclopent-2-enyloxy)hexan...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C=CC1=O |r,c:18|
Show InChI InChI=1S/C18H30O4/c1-2-3-4-5-7-10-15-16(19)12-13-17(15)22-14-9-6-8-11-18(20)21/h12-13,15,17H,2-11,14H2,1H3,(H,20,21)/t15-,17-/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50278078
PNG
((1'R*,5'R*)-6-(5-Heptyl-2-Iodo-4-oxocyclopent-2-en...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C(I)=CC1=O |r,c:19|
Show InChI InChI=1S/C18H29IO4/c1-2-3-4-5-7-10-14-16(20)13-15(19)18(14)23-12-9-6-8-11-17(21)22/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-,18+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50278079
PNG
((1'S*,5'R*)-6-[5-Heptyl-2-(oct-1-yn-1-yl)-4-oxo-cy...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C(=CC1=O)C#CCCCCCC |r,c:18|
Show InChI InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26+/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50278080
PNG
((1'R*,5'R*)-6-[5-Heptyl-2-(oct-1-yn-1-yl)-4-oxo-cy...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C(=CC1=O)C#CCCCCCC |r,c:18|
Show InChI InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 15n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50278080
PNG
((1'R*,5'R*)-6-[5-Heptyl-2-(oct-1-yn-1-yl)-4-oxo-cy...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C(=CC1=O)C#CCCCCCC |r,c:18|
Show InChI InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26-/m0/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50278140
PNG
(6-((1R,5R)-5-heptyl-4-oxocyclopent-2-enyloxy)hexan...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C=CC1=O |r,c:18|
Show InChI InChI=1S/C18H30O4/c1-2-3-4-5-7-10-15-16(19)12-13-17(15)22-14-9-6-8-11-18(20)21/h12-13,15,17H,2-11,14H2,1H3,(H,20,21)/t15-,17+/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


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



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50278077
PNG
((1'S*,5'R*)-6-(5-Heptyl-2-Iodo-4-oxocyclopent-2-en...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C(I)=CC1=O |r,c:19|
Show InChI InChI=1S/C18H29IO4/c1-2-3-4-5-7-10-14-16(20)13-15(19)18(14)23-12-9-6-8-11-17(21)22/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-,18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50278079
PNG
((1'S*,5'R*)-6-[5-Heptyl-2-(oct-1-yn-1-yl)-4-oxo-cy...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C(=CC1=O)C#CCCCCCC |r,c:18|
Show InChI InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26+/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50278080
PNG
((1'R*,5'R*)-6-[5-Heptyl-2-(oct-1-yn-1-yl)-4-oxo-cy...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C(=CC1=O)C#CCCCCCC |r,c:18|
Show InChI InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
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 8n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50278078
PNG
((1'R*,5'R*)-6-(5-Heptyl-2-Iodo-4-oxocyclopent-2-en...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C(I)=CC1=O |r,c:19|
Show InChI InChI=1S/C18H29IO4/c1-2-3-4-5-7-10-14-16(20)13-15(19)18(14)23-12-9-6-8-11-17(21)22/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-,18+/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 250n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28799
PNG
(2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)a...)
Show SMILES CCCCCCCN(CCc1ccc(SC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 250n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50278077
PNG
((1'S*,5'R*)-6-(5-Heptyl-2-Iodo-4-oxocyclopent-2-en...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C(I)=CC1=O |r,c:19|
Show InChI InChI=1S/C18H29IO4/c1-2-3-4-5-7-10-14-16(20)13-15(19)18(14)23-12-9-6-8-11-17(21)22/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-,18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50278140
PNG
(6-((1R,5R)-5-heptyl-4-oxocyclopent-2-enyloxy)hexan...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C=CC1=O |r,c:18|
Show InChI InChI=1S/C18H30O4/c1-2-3-4-5-7-10-15-16(19)12-13-17(15)22-14-9-6-8-11-18(20)21/h12-13,15,17H,2-11,14H2,1H3,(H,20,21)/t15-,17+/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50278205
PNG
(6-((1S,5R)-5-heptyl-4-oxocyclopent-2-enyloxy)hexan...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C=CC1=O |r,c:18|
Show InChI InChI=1S/C18H30O4/c1-2-3-4-5-7-10-15-16(19)12-13-17(15)22-14-9-6-8-11-18(20)21/h12-13,15,17H,2-11,14H2,1H3,(H,20,21)/t15-,17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50278077
PNG
((1'S*,5'R*)-6-(5-Heptyl-2-Iodo-4-oxocyclopent-2-en...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C(I)=CC1=O |r,c:19|
Show InChI InChI=1S/C18H29IO4/c1-2-3-4-5-7-10-14-16(20)13-15(19)18(14)23-12-9-6-8-11-17(21)22/h13-14,18H,2-12H2,1H3,(H,21,22)/t14-,18-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50278079
PNG
((1'S*,5'R*)-6-[5-Heptyl-2-(oct-1-yn-1-yl)-4-oxo-cy...)
Show SMILES CCCCCCC[C@@H]1[C@H](OCCCCCC(O)=O)C(=CC1=O)C#CCCCCCC |r,c:18|
Show InChI InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-22-21-24(27)23(18-14-10-8-6-4-2)26(22)30-20-16-12-15-19-25(28)29/h21,23,26H,3-12,14-16,18-20H2,1-2H3,(H,28,29)/t23-,26+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50278205
PNG
(6-((1S,5R)-5-heptyl-4-oxocyclopent-2-enyloxy)hexan...)
Show SMILES CCCCCCC[C@@H]1[C@@H](OCCCCCC(O)=O)C=CC1=O |r,c:18|
Show InChI InChI=1S/C18H30O4/c1-2-3-4-5-7-10-15-16(19)12-13-17(15)22-14-9-6-8-11-18(20)21/h12-13,15,17H,2-11,14H2,1H3,(H,20,21)/t15-,17-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universidade de Vigo

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha ligand binding domain expressed in human HeLa cells cotransfected with Gal4-DBD assessed as transcriptional activation ...

Bioorg Med Chem Lett 19: 1883-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.072
BindingDB Entry DOI: 10.7270/Q2K35THG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%