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Compile Data Set for Download or QSAR

Found 75 hits of ec50 data for polymerid = 50001092   
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


(Mus musculus)
BDBM50332462
PNG
(2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(sc1C[Se]c1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3SSe/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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n/an/an/an/a 2.30n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPAR-delta expressed in african green monkey CV-1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 7239-42 (2010)

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


(Mus musculus)
BDBM50312479
PNG
(2-(4-((4-(6-Morpholinopyridin-3-yl)-5-(4-(trifluor...)
Show SMILES Cc1cc(OCc2nc(c(o2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(nc2)N2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C29H26F3N3O7/c1-18-14-22(7-8-23(18)40-17-26(36)37)39-16-25-34-27(20-4-9-24(33-15-20)35-10-12-38-13-11-35)28(41-25)19-2-5-21(6-3-19)42-29(30,31)32/h2-9,14-15H,10-13,16-17H2,1H3,(H,36,37)
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n/an/an/an/a 5n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta by FRET assay


J Med Chem 53: 77-105 (2010)

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


(Mus musculus)
BDBM50312476
PNG
(CHEMBL1080699 | {4-[4-(6-Isopropoxypyridin-3-yl)-5...)
Show SMILES CC(C)Oc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O7/c1-16(2)38-23-11-6-19(13-32-23)26-27(18-4-7-20(8-5-18)40-28(29,30)31)39-24(33-26)14-36-21-9-10-22(17(3)12-21)37-15-25(34)35/h4-13,16H,14-15H2,1-3H3,(H,34,35)
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n/an/an/an/a 7n/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)

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


(Mus musculus)
BDBM50312422
PNG
(2-(4-((4-(4-(Cyclopentyloxy)phenyl)-5-(4-(trifluor...)
Show SMILES Cc1cc(OCc2nc(c(o2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC3CCCC3)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C31H28F3NO7/c1-19-16-25(14-15-26(19)39-18-28(36)37)38-17-27-35-29(20-6-10-23(11-7-20)40-22-4-2-3-5-22)30(41-27)21-8-12-24(13-9-21)42-31(32,33)34/h6-16,22H,2-5,17-18H2,1H3,(H,36,37)
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n/an/an/an/a 9n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta by FRET assay


J Med Chem 53: 77-105 (2010)

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)

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


(Mus musculus)
BDBM50312478
PNG
(2-(4-((4-(2-Isopropoxypyrimidin-5-yl)-5-(4-(triflu...)
Show SMILES CC(C)Oc1ncc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N3O6S/c1-15(2)38-26-31-11-18(12-32-26)24-25(17-4-6-19(7-5-17)39-27(28,29)30)40-22(33-24)13-36-20-8-9-21(16(3)10-20)37-14-23(34)35/h4-12,15H,13-14H2,1-3H3,(H,34,35)
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n/an/an/an/a 10n/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)

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


(Mus musculus)
BDBM50312475
PNG
(2-(4-((4-(6-Isopropoxypyridin-3-yl)-5-(4-(trifluor...)
Show SMILES CC(C)Oc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C28H25F3N2O6S/c1-16(2)38-23-11-6-19(13-32-23)26-27(18-4-7-20(8-5-18)39-28(29,30)31)40-24(33-26)14-36-21-9-10-22(17(3)12-21)37-15-25(34)35/h4-13,16H,14-15H2,1-3H3,(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 mouse PPARdelta by FRET assay


J Med Chem 53: 77-105 (2010)

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


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

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


(Mus musculus)
BDBM50106105
PNG
(2-[3-(3-{(2,4-Bis-trifluoromethyl-benzyl)-[2-(4-tr...)
Show SMILES CC(C)(Oc1cccc(CCCN(Cc2ccc(cc2C(F)(F)F)C(F)(F)F)C(=O)Cc2ccc(cc2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C31H28F9NO4/c1-28(2,27(43)44)45-24-7-3-5-19(15-24)6-4-14-41(26(42)16-20-8-11-22(12-9-20)29(32,33)34)18-21-10-13-23(30(35,36)37)17-25(21)31(38,39)40/h3,5,7-13,15,17H,4,6,14,16,18H2,1-2H3,(H,43,44)
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n/an/an/an/a 19n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against PPAR delta


Bioorg Med Chem Lett 11: 2959-62 (2001)

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


(Mus musculus)
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 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against murine PPAR delta receptor


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

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


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

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


(Mus musculus)
BDBM50085040
PNG
(CHEMBL278994 | L-796449 | {3-Chloro-4-[3-(3-phenyl...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(coc12)-c1ccccc1
Show InChI InChI=1S/C28H27ClO4S/c1-2-7-22-25(12-11-21-23(18-33-28(21)22)20-8-4-3-5-9-20)32-14-6-15-34-26-13-10-19(16-24(26)29)17-27(30)31/h3-5,8-13,16,18H,2,6-7,14-15,17H2,1H3,(H,30,31)
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n/an/an/an/a 23n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50312424
PNG
(CHEMBL1080349 | {4-[4-(4-Isopropoxyphenyl)-5-(4-tr...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3NO6S/c1-17(2)38-21-8-4-19(5-9-21)27-28(20-6-10-22(11-7-20)39-29(30,31)32)40-25(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 26n/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)

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


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

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


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

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


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

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


(Mus musculus)
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/an/an/a 30n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against murine PPAR delta receptor


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50312425
PNG
(2-(4-((4-(4-(Cyclopentyloxy)phenyl)-5-(4-(trifluor...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC3CCCC3)cc2)ccc1OCC(O)=O
Show InChI InChI=1S/C31H28F3NO6S/c1-19-16-25(14-15-26(19)39-18-28(36)37)38-17-27-35-29(20-6-10-23(11-7-20)40-22-4-2-3-5-22)30(42-27)21-8-12-24(13-9-21)41-31(32,33)34/h6-16,22H,2-5,17-18H2,1H3,(H,36,37)
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n/an/an/an/a 31n/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)

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


(Mus musculus)
BDBM50312468
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(3-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C29H26F3NO6S/c1-17(2)38-21-9-7-19(8-10-21)27-28(20-5-4-6-23(14-20)39-29(30,31)32)40-25(33-27)15-36-22-11-12-24(18(3)13-22)37-16-26(34)35/h4-14,17H,15-16H2,1-3H3,(H,34,35)
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n/an/an/an/a 46n/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)

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


(Mus musculus)
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 54n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay


J Med Chem 50: 1495-503 (2007)

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


(Mus musculus)
BDBM50312471
PNG
(2-(4-((4-(4-Morpholinophenyl)-5-(4-biphenyl)thiazo...)
Show SMILES Cc1cc(OCc2nc(c(s2)-c2ccc(cc2)-c2ccccc2)-c2ccc(cc2)N2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C35H32N2O5S/c1-24-21-30(15-16-31(24)42-23-33(38)39)41-22-32-36-34(27-11-13-29(14-12-27)37-17-19-40-20-18-37)35(43-32)28-9-7-26(8-10-28)25-5-3-2-4-6-25/h2-16,21H,17-20,22-23H2,1H3,(H,38,39)
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n/an/an/an/a 72n/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)

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


(Mus musculus)
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 77n/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)

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


(Mus musculus)
BDBM50312473
PNG
(CHEMBL1079983 | {4-[4-(6-Methoxypyridin-3-yl)-5-(4...)
Show SMILES COc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N2O6S/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(38-22)16-3-6-18(7-4-16)37-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
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n/an/an/an/a 90n/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)

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


(Mus musculus)
BDBM50312474
PNG
(2-(4-((4-(6-Methoxypyridin-3-yl)-5-(4-(trifluorome...)
Show SMILES COc1ccc(cn1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3N2O7/c1-15-11-19(8-9-20(15)36-14-23(32)33)35-13-22-31-24(17-5-10-21(34-2)30-12-17)25(37-22)16-3-6-18(7-4-16)38-26(27,28)29/h3-12H,13-14H2,1-2H3,(H,32,33)
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n/an/an/an/a 97n/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)

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


(Mus musculus)
BDBM50176605
PNG
((S)-2-(3-((3-fluoro-4-(trifluoromethyl)benzamido)m...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(c(F)c2)C(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)15(9-12)11-26-19(27)14-5-6-16(17(22)10-14)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta transfected in HEK293 cells


Bioorg Med Chem Lett 16: 554-8 (2005)

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


(Mus musculus)
BDBM50207469
PNG
(CHEMBL222880 | {4-[3,3-bis-(4-bromo-phenyl)-allyls...)
Show SMILES OC(=O)COc1ccc(SCC=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C23H17Br2ClO3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-19-9-10-22(21(26)13-19)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
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n/an/an/an/a 300n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPAR delta expressed in HEK293 cells by PPAR-GAL4 transactivation assay


J Med Chem 50: 1495-503 (2007)

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


(Mus musculus)
BDBM50229206
PNG
(CHEMBL253310 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(28-11)13-4-6-14(7-5-13)19(21,22)23)17(30)27-10-12-2-8-15(9-3-12)29-34(31,32)20(24,25)26/h2-9,29H,10H2,1H3,(H,27,30)
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n/an/an/an/a 300n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM28662
PNG
(2-[4-(3-{[2-(2-chloro-6-fluorophenyl)ethyl][(2,3-d...)
Show SMILES CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc2cccc(Cl)c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)
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n/an/an/an/a 410n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50081222
PNG
(2-(4-{2-[1-Cycloheptyl-3-(2,4-difluoro-phenyl)-ure...)
Show SMILES CC(C)(Oc1ccc(CCN(C2CCCCCC2)C(=O)Nc2ccc(F)cc2F)cc1)C(O)=O
Show InChI InChI=1S/C26H32F2N2O4/c1-26(2,24(31)32)34-21-12-9-18(10-13-21)15-16-30(20-7-5-3-4-6-8-20)25(33)29-23-14-11-19(27)17-22(23)28/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,29,33)(H,31,32)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)

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


(Mus musculus)
BDBM28706
PNG
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50319262
PNG
(2-(4-(((2-(2,4-dimethylphenylamino)-2-oxoethyl)(fu...)
Show SMILES Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccc(OC(C)(C)C(O)=O)cc2)c(C)c1
Show InChI InChI=1S/C26H30N2O5/c1-18-7-12-23(19(2)14-18)27-24(29)17-28(16-22-6-5-13-32-22)15-20-8-10-21(11-9-20)33-26(3,4)25(30)31/h5-14H,15-17H2,1-4H3,(H,27,29)(H,30,31)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)

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


(Mus musculus)
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 2.00E+3n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARdelta


Bioorg Med Chem Lett 20: 3376-9 (2010)

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


(Mus musculus)
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 2.60E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
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 2.60E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)

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


(Mus musculus)
BDBM50099491
PNG
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)
Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
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n/an/an/an/a 2.90E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of murine PPAR delta ligand binding domain


Bioorg Med Chem Lett 11: 1225-7 (2001)

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


(Mus musculus)
BDBM50081223
PNG
(2-(4-{2-[3-(2,4-Difluoro-phenyl)-1-heptyl-ureido]-...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N2O4/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 3.20E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)

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


(Mus musculus)
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 3.80E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50081225
PNG
(2-(4-{2-[3-(4-Fluoro-phenyl)-1-heptyl-ureido]-ethy...)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O4/c1-4-5-6-7-8-18-29(25(32)28-22-13-11-21(27)12-14-22)19-17-20-9-15-23(16-10-20)33-26(2,3)24(30)31/h9-16H,4-8,17-19H2,1-3H3,(H,28,32)(H,30,31)
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n/an/an/an/a 5.50E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor delta-GAL4 chimeric receptor in transfected CV...


J Med Chem 42: 3785-8 (1999)

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


(Mus musculus)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 6.60E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta


Bioorg Med Chem Lett 22: 334-8 (2011)

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


(Mus musculus)
BDBM50245782
PNG
(2-(4-((5-(4-isopropylphenyl)-1-methyl-1H-pyrazole-...)
Show SMILES CC(C)c1ccc(cc1)-c1cc(nn1C)C(=O)NCc1ccc(OC(C)(C)C(O)=O)c(C)c1
Show InChI InChI=1S/C26H31N3O4/c1-16(2)19-8-10-20(11-9-19)22-14-21(28-29(22)6)24(30)27-15-18-7-12-23(17(3)13-18)33-26(4,5)25(31)32/h7-14,16H,15H2,1-6H3,(H,27,30)(H,31,32)
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n/an/an/an/a 7.10E+3n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta receptor by cell based transient transfection assay


Bioorg Med Chem Lett 18: 6251-4 (2008)

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


(Mus musculus)
BDBM50075315
PNG
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)
Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)
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n/an/an/an/a 7.20E+3n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR delta receptor in transcriptional activation assay


J Med Chem 43: 527-50 (2000)

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


(Mus musculus)
BDBM50328089
PNG
((3R,5R)-3,5-dimethyl-5-(12-phenyldodecyl)dihydrofu...)
Show SMILES C[C@@H]1C[C@@](C)(CCCCCCCCCCCCc2ccccc2)OC1=O
Show InChI InChI=1S/C24H38O2/c1-21-20-24(2,26-23(21)25)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h11,13-14,17-18,21H,3-10,12,15-16,19-20H2,1-2H3/t21-,24-/m1/s1
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n/an/an/an/a 9.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Transactivation of mouse PPARdelta expressed in CV1 cells


Bioorg Med Chem Lett 20: 6017-9 (2010)

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


(Mus musculus)
BDBM50229209
PNG
(CHEMBL404467 | N-(4-(4-methylphenylsulfonamido)ben...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C26H22F3N3O3S2/c1-16-3-13-22(14-4-16)37(34,35)32-21-11-5-18(6-12-21)15-30-24(33)23-17(2)31-25(36-23)19-7-9-20(10-8-19)26(27,28)29/h3-14,32H,15H2,1-2H3,(H,30,33)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50229217
PNG
(CHEMBL402100 | N-(4-(2,2,2-trifluoroacetamido)benz...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H15F6N3O2S/c1-11-16(33-18(29-11)13-4-6-14(7-5-13)20(22,23)24)17(31)28-10-12-2-8-15(9-3-12)30-19(32)21(25,26)27/h2-9H,10H2,1H3,(H,28,31)(H,30,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50229215
PNG
(CHEMBL254540 | N-(4-((2H-tetrazol-5-yl)methoxy)ben...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OCc2nnn[nH]2)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F3N6O2S/c1-12-18(33-20(26-12)14-4-6-15(7-5-14)21(22,23)24)19(31)25-10-13-2-8-16(9-3-13)32-11-17-27-29-30-28-17/h2-9H,10-11H2,1H3,(H,25,31)(H,27,28,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50229208
PNG
(CHEMBL427890 | N-(4-(2,2,2-trifluoroethylsulfonami...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)CC(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H17F6N3O3S2/c1-12-17(34-19(29-12)14-4-6-15(7-5-14)21(25,26)27)18(31)28-10-13-2-8-16(9-3-13)30-35(32,33)11-20(22,23)24/h2-9,30H,10-11H2,1H3,(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50229219
PNG
(4'-chloro-biphenyl-4-carboxylic acid 4-trifluorome...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H16ClF3N2O3S/c22-18-9-7-16(8-10-18)15-3-5-17(6-4-15)20(28)26-13-14-1-11-19(12-2-14)27-31(29,30)21(23,24)25/h1-12,27H,13H2,(H,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50229211
PNG
(CHEMBL254743 | N-(4-(2-methyl-1-oxo-1-(trifluorome...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(=O)NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H21F6N3O5S2/c1-13-18(39-20(32-13)15-6-8-16(9-7-15)23(25,26)27)19(34)31-12-14-4-10-17(11-5-14)38-22(2,3)21(35)33-40(36,37)24(28,29)30/h4-11H,12H2,1-3H3,(H,31,34)(H,33,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50229220
PNG
(CHEMBL254744 | N-(4-(methylsulfonamido)benzyl)-4-m...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(C)(=O)=O)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O3S2/c1-12-17(30-19(25-12)14-5-7-15(8-6-14)20(21,22)23)18(27)24-11-13-3-9-16(10-4-13)26-31(2,28)29/h3-10,26H,11H2,1-2H3,(H,24,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

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


(Mus musculus)
BDBM50229216
PNG
(CHEMBL254742 | N-(4-(2-hydroxy-3,4-dioxocyclobut-1...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(cc1)-c1c(O)c(=O)c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H15F3N2O4S/c1-11-20(33-22(28-11)14-6-8-15(9-7-14)23(24,25)26)21(32)27-10-12-2-4-13(5-3-12)16-17(29)19(31)18(16)30/h2-9,29H,10H2,1H3,(H,27,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)

More data for this
Ligand-Target Pair
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