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PubMed code 21094606

Compile data set for download or QSAR
Found 24 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 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 2n/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		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50334842
PNG
((S)-2-(4-((3-(2,4-dichlorophenylcarbamoyl)-3,4-dih...)
Show SMILES Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O |r|
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-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Induction of PPARdelta-mediated PDK4 mRNA upregulation in human myoblast after 24 hrs

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 gamma


(Homo sapiens (Human))		BDBM50334836
PNG
(CHEMBL1643194 | rac-2-(4-((1-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C25H22Cl2N2O4/c1-15-10-16(6-9-22(15)33-14-23(30)31)12-29-13-17-4-2-3-5-19(17)24(29)25(32)28-21-8-7-18(26)11-20(21)27/h2-11,24H,12-14H2,1H3,(H,28,32)(H,30,31)
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n/an/an/an/a>3.00E+4n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARgamma 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


(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



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


(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 |r|
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


(Homo sapiens (Human))		BDBM50334834
PNG
(2-(4-((2-(2,4-dichlorophenylcarbamoyl)pyrrolidin-1...)
Show SMILES Cc1cc(CN2CCCC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22Cl2N2O4/c1-13-9-14(4-7-19(13)29-12-20(26)27)11-25-8-2-3-18(25)21(28)24-17-6-5-15(22)10-16(17)23/h4-7,9-10,18H,2-3,8,11-12H2,1H3,(H,24,28)(H,26,27)
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n/an/an/an/a 1.60E+3n/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


(Homo sapiens (Human))		BDBM50334837
PNG
(2-(4-((1-(2,5-dichlorophenylcarbamoyl)isoindolin-2...)
Show SMILES Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C25H22Cl2N2O4/c1-15-10-16(6-9-22(15)33-14-23(30)31)12-29-13-17-4-2-3-5-19(17)24(29)25(32)28-21-11-18(26)7-8-20(21)27/h2-11,24H,12-14H2,1H3,(H,28,32)(H,30,31)
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n/an/an/an/a 320n/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


(Homo sapiens (Human))		BDBM50334838
PNG
(2-(4-((1-(4-chlorophenylcarbamoyl)isoindolin-2-yl)...)
Show SMILES Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C25H23ClN2O4/c1-16-12-17(6-11-22(16)32-15-23(29)30)13-28-14-18-4-2-3-5-21(18)24(28)25(31)27-20-9-7-19(26)8-10-20/h2-12,24H,13-15H2,1H3,(H,27,31)(H,29,30)
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n/an/an/an/a 2.50E+3n/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 alpha


(Homo sapiens (Human))		BDBM50334836
PNG
(CHEMBL1643194 | rac-2-(4-((1-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C25H22Cl2N2O4/c1-15-10-16(6-9-22(15)33-14-23(30)31)12-29-13-17-4-2-3-5-19(17)24(29)25(32)28-21-8-7-18(26)11-20(21)27/h2-11,24H,12-14H2,1H3,(H,28,32)(H,30,31)
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n/an/an/an/a>3.00E+4n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARalpha 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 alpha


(Homo sapiens (Human))		BDBM50334842
PNG
((S)-2-(4-((3-(2,4-dichlorophenylcarbamoyl)-3,4-dih...)
Show SMILES Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O |r|
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-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARalpha 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


(Homo sapiens (Human))		BDBM50334836
PNG
(CHEMBL1643194 | rac-2-(4-((1-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C25H22Cl2N2O4/c1-15-10-16(6-9-22(15)33-14-23(30)31)12-29-13-17-4-2-3-5-19(17)24(29)25(32)28-21-8-7-18(26)11-20(21)27/h2-11,24H,12-14H2,1H3,(H,28,32)(H,30,31)
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n/an/an/an/a 25n/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		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50334841
PNG
(CHEMBL1643199 | rac-2-(4-((1-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C26H24Cl2N2O4/c1-16-12-17(6-9-23(16)34-15-24(31)32)14-30-11-10-18-4-2-3-5-20(18)25(30)26(33)29-22-8-7-19(27)13-21(22)28/h2-9,12-13,25H,10-11,14-15H2,1H3,(H,29,33)(H,31,32)
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n/an/an/an/a 10n/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


(Homo sapiens (Human))		BDBM50334844
PNG
(CHEMBL1643202 | rac-2-(4-((6-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2Cc3ncccc3CC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C25H23Cl2N3O4/c1-15-9-16(4-7-23(15)34-14-24(31)32)12-30-13-21-17(3-2-8-28-21)10-22(30)25(33)29-20-6-5-18(26)11-19(20)27/h2-9,11,22H,10,12-14H2,1H3,(H,29,33)(H,31,32)
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n/an/an/an/a 500n/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


(Homo sapiens (Human))		BDBM50334845
PNG
(CHEMBL1643203 | rac-2-(4-((7-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2Cc3cccnc3CC2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C25H23Cl2N3O4/c1-15-9-16(4-7-23(15)34-14-24(31)32)12-30-13-17-3-2-8-28-21(17)11-22(30)25(33)29-20-6-5-18(26)10-19(20)27/h2-10,22H,11-14H2,1H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.00E+3n/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


(Homo sapiens (Human))		BDBM50334835
PNG
(2-(4-((3-(2,4-dichlorophenylcarbamoyl)pyrrolidin-1...)
Show SMILES Cc1cc(CN2CCC(C2)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C21H22Cl2N2O4/c1-13-8-14(2-5-19(13)29-12-20(26)27)10-25-7-6-15(11-25)21(28)24-18-4-3-16(22)9-17(18)23/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,24,28)(H,26,27)
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n/an/an/an/a 1.00E+3n/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 alpha


(Homo sapiens (Human))		BDBM50334841
PNG
(CHEMBL1643199 | rac-2-(4-((1-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C26H24Cl2N2O4/c1-16-12-17(6-9-23(16)34-15-24(31)32)14-30-11-10-18-4-2-3-5-20(18)25(30)26(33)29-22-8-7-19(27)13-21(22)28/h2-9,12-13,25H,10-11,14-15H2,1H3,(H,29,33)(H,31,32)
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n/an/an/an/a 6.30E+3n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARalpha 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


(Homo sapiens (Human))		BDBM50334841
PNG
(CHEMBL1643199 | rac-2-(4-((1-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C26H24Cl2N2O4/c1-16-12-17(6-9-23(16)34-15-24(31)32)14-30-11-10-18-4-2-3-5-20(18)25(30)26(33)29-22-8-7-19(27)13-21(22)28/h2-9,12-13,25H,10-11,14-15H2,1H3,(H,29,33)(H,31,32)
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n/an/an/an/a 70n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Induction of PPARdelta-mediated PDK4 mRNA upregulation in human myoblast after 24 hrs

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


(Homo sapiens (Human))		BDBM50334840
PNG
(2-(4-(carboxymethoxy)-3-methylbenzyl)isoindoline-1...)
Show SMILES Cc1cc(CN2Cc3ccccc3C2C(O)=O)ccc1OCC(O)=O
Show InChI InChI=1S/C19H19NO5/c1-12-8-13(6-7-16(12)25-11-17(21)22)9-20-10-14-4-2-3-5-15(14)18(20)19(23)24/h2-8,18H,9-11H2,1H3,(H,21,22)(H,23,24)
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n/an/an/an/a>2.00E+4n/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


(Homo sapiens (Human))		BDBM50334842
PNG
((S)-2-(4-((3-(2,4-dichlorophenylcarbamoyl)-3,4-dih...)
Show SMILES Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O |r|
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-/m0/s1
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n/an/an/an/a 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 alpha


(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 |r|
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 1.25E+3n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARalpha 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 gamma


(Homo sapiens (Human))		BDBM50334842
PNG
((S)-2-(4-((3-(2,4-dichlorophenylcarbamoyl)-3,4-dih...)
Show SMILES Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O |r|
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-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARgamma 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 gamma


(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 |r|
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 800n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARgamma 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 gamma


(Homo sapiens (Human))		BDBM50334841
PNG
(CHEMBL1643199 | rac-2-(4-((1-(2,4-dichlorophenylca...)
Show SMILES Cc1cc(CN2CCc3ccccc3C2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
Show InChI InChI=1S/C26H24Cl2N2O4/c1-16-12-17(6-9-23(16)34-15-24(31)32)14-30-11-10-18-4-2-3-5-20(18)25(30)26(33)29-22-8-7-19(27)13-21(22)28/h2-9,12-13,25H,10-11,14-15H2,1H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.70E+3n/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused human PPARgamma 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


(Homo sapiens (Human))		BDBM50334839
PNG
(2-(2-methyl-4-((1-(phenylcarbamoyl)isoindolin-2-yl...)
Show SMILES Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccccc2)ccc1OCC(O)=O
Show InChI InChI=1S/C25H24N2O4/c1-17-13-18(11-12-22(17)31-16-23(28)29)14-27-15-19-7-5-6-10-21(19)24(27)25(30)26-20-8-3-2-4-9-20/h2-13,24H,14-16H2,1H3,(H,26,30)(H,28,29)
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n/an/an/an/a>6.00E+4n/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
* indicates data uncertainty>20%