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Compile Data Set for Download or QSAR

Found 2256 hits Enz. Inhib. hit(s) with Target = 'Peroxisome Proliferator-Activated Receptor delta'   
Target
(Institution)
LigandTarget
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 (PPAR delta)


(Homo sapiens (Human))
BDBM50127222
PNG
(CHEMBL38508 | {4-[2-(3-Fluoro-4-trifluoromethyl-ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


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

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50415440
PNG
(CHEMBL598608 | GSK-3787)
Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
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n/an/a 1.20n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 24 hrs by TR-FRET assay


Bioorg Med Chem 24: 247-60 (2016)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50212693
PNG
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)
Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
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n/an/a 1.70n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50212693
PNG
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)
Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA assay


Bioorg Med Chem Lett 17: 3624-9 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50212698
PNG
(2-(7-(2-(4-(trifluoromethyl)benzyloxy)-5-fluoroben...)
Show SMILES OC(=O)COc1ccc(SCc2cc(F)ccc2OCc2ccc(cc2)C(F)(F)F)c2CCCc12
Show InChI InChI=1S/C26H22F4O4S/c27-19-8-9-22(33-13-16-4-6-18(7-5-16)26(28,29)30)17(12-19)15-35-24-11-10-23(34-14-25(31)32)20-2-1-3-21(20)24/h4-12H,1-3,13-15H2,(H,31,32)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA assay


Bioorg Med Chem Lett 17: 3624-9 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50212693
PNG
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)
Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30)
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199773
PNG
(3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)buto...)
Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1-c1ccccn1
Show InChI InChI=1S/C25H26ClNO4/c1-17-15-21(9-6-19(17)7-11-25(28)29)30-14-12-18(2)31-24-10-8-20(26)16-22(24)23-5-3-4-13-27-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,28,29)/t18-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50213331
PNG
(2-(5-((4-methyl-2-(trifluoromethyl)thiazol-5-yl)me...)
Show SMILES Cc1nc(sc1CSc1ccc2n(CC(O)=O)ccc2c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O2S2/c1-9-13(25-15(20-9)16(17,18)19)8-24-11-2-3-12-10(6-11)4-5-21(12)7-14(22)23/h2-6H,7-8H2,1H3,(H,22,23)
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n/an/a 2.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50127221
PNG
(CHEMBL289887 | {2-Methyl-4-[4-methyl-2-(4-trifluor...)
Show SMILES Cc1nc(oc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO4S/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227743
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methyl-4-(trifluorom...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3C)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H26F3NO5/c1-16-12-19(27(28,29)30)8-10-22(16)24(32)31-15-18-6-5-7-20(14-18)35-21-9-11-23(17(2)13-21)36-26(3,4)25(33)34/h5-14H,15H2,1-4H3,(H,31,32)(H,33,34)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199779
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227765
PNG
(3-(4-(3-((5-chloro-3-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(Oc2ccc(CCC(O)=O)c(C)c2)c1
Show InChI InChI=1S/C27H25ClN2O4/c1-16-12-22(9-6-19(16)7-11-25(31)32)34-21-5-3-4-18(13-21)15-29-27(33)26-17(2)23-14-20(28)8-10-24(23)30-26/h3-6,8-10,12-14,30H,7,11,15H2,1-2H3,(H,29,33)(H,31,32)
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227738
PNG
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227759
PNG
(3-(4-(3-((6-chloro-1H-indole-2-carboxamido)methyl)...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(9-6-18(16)7-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-13-19-5-8-20(27)14-23(19)29-24/h2-6,8-9,11-14,29H,7,10,15H2,1H3,(H,28,32)(H,30,31)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227752
PNG
(2-(4-(3-((2-chloro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Cl)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H23ClF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199776
PNG
(3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199781
PNG
(3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O
Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199779
PNG
(3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199778
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cscn1
Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-24(22(14-19)23-15-31-16-26-23)30-18(3)11-12-29-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 1052-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta by SPA


J Med Chem 49: 5649-52 (2006)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227752
PNG
(2-(4-(3-((2-chloro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Cl)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H23ClF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34)
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227745
PNG
(2-(4-(3-((2-bromo-4-(trifluoromethyl)benzamido)met...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Br)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H23BrF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227761
PNG
(2-(4-(3-fluoro-5-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-8-18(5-7-22(14)37-25(2,3)24(34)35)36-19-10-15(9-17(27)12-19)13-32-23(33)20-6-4-16(11-21(20)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227744
PNG
(3-(4-(3-((5-chloro-1,3-dimethyl-1H-indole-2-carbox...)
Show SMILES Cc1c(C(=O)NCc2cccc(Oc3ccc(CCC(O)=O)c(C)c3)c2)n(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C28H27ClN2O4/c1-17-13-23(10-7-20(17)8-12-26(32)33)35-22-6-4-5-19(14-22)16-30-28(34)27-18(2)24-15-21(29)9-11-25(24)31(27)3/h4-7,9-11,13-15H,8,12,16H2,1-3H3,(H,30,34)(H,32,33)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227765
PNG
(3-(4-(3-((5-chloro-3-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(Oc2ccc(CCC(O)=O)c(C)c2)c1
Show InChI InChI=1S/C27H25ClN2O4/c1-16-12-22(9-6-19(16)7-11-25(31)32)34-21-5-3-4-18(13-21)15-29-27(33)26-17(2)23-14-20(28)8-10-24(23)30-26/h3-6,8-10,12-14,30H,7,11,15H2,1-2H3,(H,29,33)(H,31,32)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227746
PNG
(3-(4-(3-((5-chloro-1H-indole-2-carboxamido)methyl)...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(8-5-18(16)6-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-14-19-13-20(27)7-9-23(19)29-24/h2-5,7-9,11-14,29H,6,10,15H2,1H3,(H,28,32)(H,30,31)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227758
PNG
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227761
PNG
(2-(4-(3-fluoro-5-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-8-18(5-7-22(14)37-25(2,3)24(34)35)36-19-10-15(9-17(27)12-19)13-32-23(33)20-6-4-16(11-21(20)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227736
PNG
(2-(4-(5-((2-fluoro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc1Oc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H25F4NO5/c1-15-5-6-17(14-32-24(33)20-9-7-18(13-21(20)28)27(29,30)31)12-23(15)36-19-8-10-22(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta


Bioorg Med Chem Lett 17: 6744-9 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199778
PNG
(3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butox...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cscn1
Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-24(22(14-19)23-15-31-16-26-23)30-18(3)11-12-29-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199776
PNG
(3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1
Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227746
PNG
(3-(4-(3-((5-chloro-1H-indole-2-carboxamido)methyl)...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(8-5-18(16)6-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-14-19-13-20(27)7-9-23(19)29-24/h2-5,7-9,11-14,29H,6,10,15H2,1H3,(H,28,32)(H,30,31)
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50199781
PNG
(3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...)
Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O
Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50194627
PNG
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)
Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227736
PNG
(2-(4-(5-((2-fluoro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc1Oc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H25F4NO5/c1-15-5-6-17(14-32-24(33)20-9-7-18(13-21(20)28)27(29,30)31)12-23(15)36-19-8-10-22(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35)
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Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227736
PNG
(2-(4-(5-((2-fluoro-4-(trifluoromethyl)benzamido)me...)
Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc1Oc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C27H25F4NO5/c1-15-5-6-17(14-32-24(33)20-9-7-18(13-21(20)28)27(29,30)31)12-23(15)36-19-8-10-22(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227738
PNG
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227738
PNG
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)
Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35)
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n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227745
PNG
(2-(4-(3-((2-bromo-4-(trifluoromethyl)benzamido)met...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Br)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C26H23BrF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34)
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n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227743
PNG
(2-methyl-2-(2-methyl-4-(3-((2-methyl-4-(trifluorom...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3C)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O
Show InChI InChI=1S/C27H26F3NO5/c1-16-12-19(27(28,29)30)8-10-22(16)24(32)31-15-18-6-5-7-20(14-18)35-21-9-11-23(17(2)13-21)36-26(3,4)25(33)34/h5-14H,15H2,1-4H3,(H,31,32)(H,33,34)
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n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50227759
PNG
(3-(4-(3-((6-chloro-1H-indole-2-carboxamido)methyl)...)
Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(O)=O
Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(9-6-18(16)7-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-13-19-5-8-20(27)14-23(19)29-24/h2-6,8-9,11-14,29H,7,10,15H2,1H3,(H,28,32)(H,30,31)
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n/an/a 3n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50213326
PNG
(2-(6-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiaz...)
Show SMILES Cc1nc(sc1COc1ccc2c(CC(O)=O)csc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3NO3S2/c1-12-19(31-21(26-12)13-2-4-15(5-3-13)22(23,24)25)10-29-16-6-7-17-14(8-20(27)28)11-30-18(17)9-16/h2-7,9,11H,8,10H2,1H3,(H,27,28)
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50213330
PNG
(2-(6-(4-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1csc2cc(OCc3ccc(COc4ccc(cc4)C(F)(F)F)cc3)ccc12
Show InChI InChI=1S/C25H19F3O4S/c26-25(27,28)19-5-7-20(8-6-19)31-13-16-1-3-17(4-2-16)14-32-21-9-10-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
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n/an/a 3.60n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50213330
PNG
(2-(6-(4-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)
Show SMILES OC(=O)Cc1csc2cc(OCc3ccc(COc4ccc(cc4)C(F)(F)F)cc3)ccc12
Show InChI InChI=1S/C25H19F3O4S/c26-25(27,28)19-5-7-20(8-6-19)31-13-16-1-3-17(4-2-16)14-32-21-9-10-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30)
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA


Bioorg Med Chem Lett 17: 3630-5 (2007)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM28691
PNG
(5-methyl-2-({3-[(7-methyl-1H-indole-1-)sulfonyl]be...)
Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cccc(C)c23)c(c1)C(O)=O
Show InChI InChI=1S/C24H20N2O5S/c1-15-9-10-21(20(13-15)24(28)29)25-23(27)18-7-4-8-19(14-18)32(30,31)26-12-11-17-6-3-5-16(2)22(17)26/h3-14H,1-2H3,(H,25,27)(H,28,29)
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n/an/a 4n/a 79n/an/a7.022



GSK



Assay Description
Competition-binding curves for test compounds were determined with expressed human PPAR LBD. Plots of inhibitor concentration versus cpm of radioliga...


Bioorg Med Chem Lett 18: 5018-22 (2008)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR 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/a 4n/an/an/an/an/an/a



Universidad Nacional Aut£noma de M£xico

Curated by ChEMBL


Assay Description
Agonist activity at PPARdelta


Bioorg Med Chem 20: 3523-32 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR 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/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR delta in SPA


Bioorg Med Chem Lett 13: 1277-80 (2003)

More data for this
Ligand-Target Pair
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