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Compile Data Set for Download or QSAR

Found 4446 hits Enz. Inhib. hit(s) with Target = 'PPAR alpha/gamma'   
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


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/s2
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n/an/an/a 0.0160n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
Show SMILES C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/s2
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n/an/an/a 0.0250n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/a 0.360n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/s2
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n/an/an/a 0.75n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
Show SMILES C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1/C26H23NO5/c1-18(26(28)29)32-24-13-9-20(10-14-24)15-19-7-11-23(12-8-19)30-16-22-17-31-25(27-22)21-5-3-2-4-6-21/h2-14,17-18H,15-16H2,1H3,(H,28,29)/t18-/s2
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n/an/an/a 0.860n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of [3H]- FPP incorporation into recombinant Ha-Ras by farnesyl transferase at 10 pM


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
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/a 1n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/an/a 4.80n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay


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


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/an/a 7.90n/an/an/an/an/a


TBA

Assay Description
Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay


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


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/a 19n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Eur J Med Chem 127: 379-397 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.047
BindingDB Entry DOI: 10.7270/Q2474D4J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
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/a 32n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR-alpha LBD assessed as recruitment of fluorescein-labeled coactivator peptide by surface plasmon resonance method


Bioorg Med Chem Lett 24: 3168-74 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.112
BindingDB Entry DOI: 10.7270/Q2SN0BK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
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/a 228n/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 9: 533-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00039-6
BindingDB Entry DOI: 10.7270/Q25X283W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
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/a 230n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50109547
PNG
((S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/a 360n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50122338
PNG
((S)-3-[4-(3,3-Bis-biphenyl-4-yl-allyloxy)-phenyl]-...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(cc2)-c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C38H34O4/c1-2-41-37(38(39)40)27-28-13-23-35(24-14-28)42-26-25-36(33-19-15-31(16-20-33)29-9-5-3-6-10-29)34-21-17-32(18-22-34)30-11-7-4-8-12-30/h3-25,37H,2,26-27H2,1H3,(H,39,40)/t37-/m0/s1
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n/an/an/a 1.10E+3n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50044625
PNG
(CHEMBL3360190)
Show SMILES CC1(C)C[C@H]2[C@H]1CC\C=C\CCC2=C
Show InChI InChI=1/C14H22/c1-11-8-6-4-5-7-9-13-12(11)10-14(13,2)3/h4-5,12-13H,1,6-10H2,2-3H3/b5-4+/t12-,13-/s2
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n/an/an/a 1.93E+3n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR-alpha LBD assessed as recruitment of fluorescein-labeled coactivator peptide by surface plasmon resonance method


Bioorg Med Chem Lett 24: 3168-74 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.112
BindingDB Entry DOI: 10.7270/Q2SN0BK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50428826
PNG
(CHEMBL2337127)
Show SMILES COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1C\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+
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n/an/an/a 2.60E+3n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50122340
PNG
((S)-3-[4-(3,3-Diphenyl-allyloxy)-phenyl]-2-ethoxy-...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26O4/c1-2-29-25(26(27)28)19-20-13-15-23(16-14-20)30-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,25H,2,18-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/an/a 6.40E+3n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50175504
PNG
(3-{4-[2-(Dibenzo[b,f][1,4]thiazepin-11-yl-methyl-a...)
Show SMILES CCOC(Cc1ccc(OCCN(C)C2=Nc3ccccc3Sc3ccccc23)cc1)C(O)=O
Show InChI InChI=1/C27H28N2O4S/c1-3-32-23(27(30)31)18-19-12-14-20(15-13-19)33-17-16-29(2)26-21-8-4-6-10-24(21)34-25-11-7-5-9-22(25)28-26/h4-15,23H,3,16-18H2,1-2H3,(H,30,31)
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n/an/an/a 7.50E+3n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha


J Med Chem 48: 6523-43 (2005)


Article DOI: 10.1021/jm058225d
BindingDB Entry DOI: 10.7270/Q2SF2WZ9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50428827
PNG
(CHEMBL2337126)
Show SMILES CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O
Show InChI InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21)
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n/an/an/a 2.50E+4n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM91427
PNG
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)
Show SMILES COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1CC=C(C)C
Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24)
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n/an/an/a 2.70E+4n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARalpha (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)


Article DOI: 10.1021/jm3013272
BindingDB Entry DOI: 10.7270/Q2R49S4J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
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/a 9.64E+4n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha LBD (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 24: 2957-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.019
BindingDB Entry DOI: 10.7270/Q2FB54HC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50240464
PNG
((S)-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)pe...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1/C16H19N3O5/c17-11(7-9-8-18-12-4-2-1-3-10(9)12)15(22)19-13(16(23)24)5-6-14(20)21/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/s2
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n/an/an/a 1.20E+5n/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha LBD (unknown origin) by surface plasmon resonance assay


Bioorg Med Chem Lett 24: 2957-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.019
BindingDB Entry DOI: 10.7270/Q2FB54HC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
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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0.0541n/an/an/an/an/an/an/an/a



Sahmyook University

Curated by ChEMBL


Assay Description
Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARalpha LBD by TR-FRET assay


J Med Chem 60: 7459-7475 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00805
BindingDB Entry DOI: 10.7270/Q2XK8HQH
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50151001
PNG
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/b32-21+/t28-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124379
PNG
(2-(4-(3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-7-22-24(15-14-23-26(28-33-27(22)23)20-8-4-3-5-9-20)32-17-6-16-31-21-12-10-19(11-13-21)18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50145710
PNG
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50124385
PNG
(3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-...)
Show SMILES CCCc1c(OCCCCOc2cccc(c2)C(O)=O)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-9-22-24(15-14-23-25(28-33-26(22)23)19-10-4-3-5-11-19)32-17-7-6-16-31-21-13-8-12-20(18-21)27(29)30/h3-5,8,10-15,18H,2,6-7,9,16-17H2,1H3,(H,29,30)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR delta receptor


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50124386
PNG
(CHEMBL367311 | {4-[4-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-8-23-25(16-15-24-27(29-34-28(23)24)21-9-4-3-5-10-21)33-18-7-6-17-32-22-13-11-20(12-14-22)19-26(30)31/h3-5,9-16H,2,6-8,17-19H2,1H3,(H,30,31)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM33283
PNG
((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...)
Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)
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7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124377
PNG
(3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-11,13-16H,2,6-7,12,17-19H2,1H3,(H,30,31)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124374
PNG
(3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-12,14-17H,2,6-8,13,18-20H2,1H3,(H,31,32)
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7.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124384
PNG
(CHEMBL173494 | {4-[3-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCOc2ccc(OCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c1-2-7-22-24(15-14-23-26(28-34-27(22)23)19-8-4-3-5-9-19)32-17-6-16-31-20-10-12-21(13-11-20)33-18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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8.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124378
PNG
(2-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(OC(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1/C28H29NO6/c1-3-8-23-25(16-15-24-26(29-35-27(23)24)20-9-5-4-6-10-20)33-18-7-17-32-21-11-13-22(14-12-21)34-19(2)28(30)31/h4-6,9-16,19H,3,7-8,17-18H2,1-2H3,(H,30,31)
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9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132566
PNG
((4-Chloro-phenyl)-(5,7-dipropyl-3-trifluoromethyl-...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1/C22H21ClF3NO4/c1-3-5-13-11-16-19(31-27-20(16)22(24,25)26)15(6-4-2)17(13)30-18(21(28)29)12-7-9-14(23)10-8-12/h7-11,18H,3-6H2,1-2H3,(H,28,29)
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124389
PNG
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124383
PNG
(3-{4-[2-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-6-22-24(15-14-23-26(28-33-27(22)23)20-7-4-3-5-8-20)32-18-17-31-21-12-9-19(10-13-21)11-16-25(29)30/h3-5,7-10,12-15H,2,6,11,16-18H2,1H3,(H,29,30)
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132563
PNG
((S)-(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxaz...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1O[C@H](C(O)=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO4/c1-3-8-14-12-16-19(30-26-20(16)22(23,24)25)15(9-4-2)17(14)29-18(21(27)28)13-10-6-5-7-11-13/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,27,28)/t18-/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124389
PNG
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50132574
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(F)(F)F
Show InChI InChI=1/C25H28F3NO4/c1-5-7-17-13-19-22(33-29-23(19)25(26,27)28)18(8-6-2)20(17)32-21(24(30)31)16-11-9-15(10-12-16)14(3)4/h9-14,21H,5-8H2,1-4H3,(H,30,31)
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50132567
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1/C22H22F3NO4/c1-3-8-14-12-16-19(30-26-20(16)22(23,24)25)15(9-4-2)17(14)29-18(21(27)28)13-10-6-5-7-11-13/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,27,28)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50124394
PNG
(2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...)
Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50124372
PNG
((E)-3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-...)
Show SMILES CCCc1c(OCCCCOc2ccc(\C=C\C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H29NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-18H,2,6-8,19-20H2,1H3,(H,31,32)/b18-13+
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR alpha receptor


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132564
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C23H21F6NO4/c1-3-5-13-11-16-19(34-30-20(16)23(27,28)29)15(6-4-2)17(13)33-18(21(31)32)12-7-9-14(10-8-12)22(24,25)26/h7-11,18H,3-6H2,1-2H3,(H,31,32)
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132561
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(OCc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1/C28H27F3N2O5/c1-3-7-18-15-22-25(38-33-26(22)28(29,30)31)21(8-4-2)23(18)37-24(27(34)35)17-10-12-20(13-11-17)36-16-19-9-5-6-14-32-19/h5-6,9-15,24H,3-4,7-8,16H2,1-2H3,(H,34,35)
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50124375
PNG
(2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)C(C)(C)C(O)=O)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C30H33NO5/c1-4-10-24-26(18-17-25-27(31-36-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-23-15-13-22(14-16-23)30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 931-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01029-6
BindingDB Entry DOI: 10.7270/Q2HX1C1Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50132564
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C23H21F6NO4/c1-3-5-13-11-16-19(34-30-20(16)23(27,28)29)15(6-4-2)17(13)33-18(21(31)32)12-7-9-14(10-8-12)22(24,25)26/h7-11,18H,3-6H2,1-2H3,(H,31,32)
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) was determined by HTRF assay


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50132565
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(CCc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1/C29H29F3N2O4/c1-3-7-20-17-23-26(38-34-27(23)29(30,31)32)22(8-4-2)24(20)37-25(28(35)36)19-13-10-18(11-14-19)12-15-21-9-5-6-16-33-21/h5-6,9-11,13-14,16-17,25H,3-4,7-8,12,15H2,1-2H3,(H,35,36)
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50132576
PNG
(4-(Carboxy-phenyl-methoxy)-3-methyl-5-propyl-benzo...)
Show SMILES CCCc1cc(cc(C)c1OC(C(O)=O)c1ccccc1)C(=O)OC
Show InChI InChI=1/C20H22O5/c1-4-8-15-12-16(20(23)24-3)11-13(2)17(15)25-18(19(21)22)14-9-6-5-7-10-14/h5-7,9-12,18H,4,8H2,1-3H3,(H,21,22)
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


Bioorg Med Chem Lett 13: 3185-90 (2003)


Article DOI: 10.1016/s0960-894x(03)00702-9
BindingDB Entry DOI: 10.7270/Q2TQ6229
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50131503
PNG
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)


Article DOI: 10.1021/jm030631e
BindingDB Entry DOI: 10.7270/Q2DR2TZ5
More data for this
Ligand-Target Pair
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