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Compile Data Set for Download or QSAR

Found 111 hits of ec50 data for polymerid = 50001092   
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


(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)


Article DOI: 10.1016/j.bmcl.2010.10.103
BindingDB Entry DOI: 10.7270/Q2SN0975
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615952
PNG
(CHEMBL5267473)
Show SMILES CC[C@H]1CN(CCC1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(Cl)cc2s1 |r|
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n/an/an/an/a 5.80n/an/an/an/a


TBA



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


(Mus musculus)
BDBM50615955
PNG
(CHEMBL5283926)
Show SMILES CC[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
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n/an/an/an/a 6.10n/an/an/an/a


TBA



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


(Mus musculus)
BDBM50615962
PNG
(CHEMBL5272996)
Show SMILES CC[C@@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
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n/an/an/an/a 6.20n/an/an/an/a


TBA



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


(Mus musculus)
BDBM50615966
PNG
(CHEMBL5289740)
Show SMILES CC(C)C[C@@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
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n/an/an/an/a 6.90n/an/an/an/a


TBA



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


(Mus musculus)
BDBM50615954
PNG
(CHEMBL5290870)
Show SMILES C[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(cc2s1)C(F)(F)F |r|
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n/an/an/an/a 6.90n/an/an/an/a


TBA



Citation and Details
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615964
PNG
(CHEMBL5277165)
Show SMILES CC(C)[C@@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
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n/an/an/an/a 7.5n/an/an/an/a


TBA



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


(Mus musculus)
BDBM50539514
PNG
(CHEMBL4649683)
Show SMILES C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a


TBA

Assay Description
Modulator activity at mouse PPARdelta


Citation and Details

Article DOI: 10.1021/acsmedchemlett.8b00287
BindingDB Entry DOI: 10.7270/Q2H998WR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50312421
PNG
(2-(4-((4-(4-Isopropoxyphenyl)-5-(4-(trifluorometho...)
Show SMILES CC(C)Oc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)oc1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C29H26F3NO7/c1-17(2)38-21-8-4-19(5-9-21)27-28(20-6-10-22(11-7-20)40-29(30,31)32)39-25(33-27)15-36-23-12-13-24(18(3)14-23)37-16-26(34)35/h4-14,17H,15-16H2,1-3H3,(H,34,35)
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n/an/an/an/a 9n/an/an/an/a



The Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARdelta by FRET assay


J Med Chem 53: 77-105 (2010)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615963
PNG
(CHEMBL5290260)
Show SMILES CC(C)[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
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n/an/an/an/a 12n/an/an/an/a


TBA



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


(Mus musculus)
BDBM50615947
PNG
(CHEMBL5278892)
Show SMILES C[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(Cl)cc2s1 |r|
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n/an/an/an/a 12n/an/an/an/a


TBA



Citation and Details
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
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)


BindingDB Entry DOI: 10.7270/Q2V69HWQ
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
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)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50584465
PNG
(CHEMBL5084377)
Show SMILES Cc1cc(Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(O)=O
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PDB
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n/an/an/an/a 20n/an/an/an/a


TBA

Assay Description
Agonist activity at mouse PPARdelta in Cos7 cells transfected with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring luciferase activity i...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02002
BindingDB Entry DOI: 10.7270/Q2VQ36KV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


BindingDB Entry DOI: 10.7270/Q2H994DT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615960
PNG
(CHEMBL5289017)
Show SMILES C[C@@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
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n/an/an/an/a 24n/an/an/an/a


TBA



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


(Mus musculus)
BDBM50615946
PNG
(CHEMBL5271479)
Show SMILES C[C@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1C)c1nc2ccc(Cl)cc2s1 |r|
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Citation and Details
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615961
PNG
(CHEMBL5268424)
Show SMILES CC[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615951
PNG
(CHEMBL5285352)
Show SMILES C[C@H]1CN(CCOc2cc(CC(O)=O)ccc2Cl)CCN1c1nc2ccc(Cl)cc2s1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615958
PNG
(CHEMBL5279586)
Show SMILES C[C@H]1CN(CCN1Cc1cc(C)cc(CC(O)=O)c1)c1nc2ccc(cc2s1)C(F)(F)F |r|
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Citation and Details
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50127222
PNG
(CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...)
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)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615957
PNG
(CHEMBL5268646)
Show SMILES C[C@@H]1CN(CCN1Cc1cc(C)cc(CC(O)=O)c1)c1nc2ccc(cc2s1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615959
PNG
(CHEMBL5273427)
Show SMILES C[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615950
PNG
(CHEMBL5288454)
Show SMILES C[C@@H]1CN(CCOc2cc(CC(O)=O)ccc2Cl)CCN1c1nc2ccc(Cl)cc2s1 |r|
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Citation and Details
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615948
PNG
(CHEMBL5281528)
Show SMILES C[C@@H]1CN(CCN1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(Cl)cc2s1 |r|
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615949
PNG
(CHEMBL5278648)
Show SMILES CC1CN(CCC1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(Cl)cc2s1
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50596502
PNG
(CHEMBL5180328)
Show SMILES OC(=O)Cc1ccc(Cl)c(OCCC2CCN(CC2)c2nc3ccc(Cl)cc3s2)c1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128567
BindingDB Entry DOI: 10.7270/Q2KK9GV5
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)


Article DOI: 10.1021/jm061202u
BindingDB Entry DOI: 10.7270/Q2J9662B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615953
PNG
(CHEMBL5271300)
Show SMILES CC(C)C[C@H]1CN(CCC1CCOc1cc(CC(O)=O)ccc1Cl)c1nc2ccc(Cl)cc2s1 |r|
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Citation and Details
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 70n/an/an/an/a


TBA

Assay Description
Transactivation of mouse PPARdelta by cell-based luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2017.11.006
BindingDB Entry DOI: 10.7270/Q25B0531
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50596500
PNG
(CHEMBL5180073)
Show SMILES Cc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
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Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50596500
PNG
(CHEMBL5180073)
Show SMILES Cc1ccc(CC(O)=O)cc1OCCC1CCN(CC1)c1nc2ccc(Cl)cc2s1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128567
BindingDB Entry DOI: 10.7270/Q2KK9GV5
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Mus musculus)
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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Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128567
BindingDB Entry DOI: 10.7270/Q2KK9GV5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1021/jm9007399
BindingDB Entry DOI: 10.7270/Q28052RP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Mus musculus)
BDBM50615965
PNG
(CHEMBL5279568)
Show SMILES CC(C)C[C@H]1CN(Cc2cc(C)cc(CC(O)=O)c2)CCN1c1nc2ccc(cc2s1)C(F)(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
UniChem
n/an/an/an/a 79n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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