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Compile Data Set for Download or QSAR

Found 162 hits of ec50 for UniProtKB: P23204   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171900
PNG
((S)-3-Phenyl-2-(4-thiophen-2-yl-phenoxy)-propionic...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C19H16O3S/c20-19(21)17(13-14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)18-7-4-12-23-18/h1-12,17H,13H2,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171898
PNG
((S)-3-Phenyl-2-(4-trifluoromethyl-phenoxy)-propion...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171895
PNG
((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...)
Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of murine PPAR alpha ligand binding domain


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


BindingDB Entry DOI: 10.7270/Q2Z31XX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171897
PNG
((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 2n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50568096
PNG
(CHEMBL4866115)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccc(C)cc3)c2=O)cc1
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50568100
PNG
(CHEMBL4861761)
Show SMILES COc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc1
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 5n/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 alpha-Gal4 chimeric receptor transfected CV-1 ...


J Med Chem 42: 3785-8 (1999)


BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 5n/an/an/an/a



Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Agonist activity for murine PPAR alpha 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 alpha


(Mus musculus)
BDBM50568097
PNG
(CHEMBL4879102)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccc(F)cc3)c2=O)cc1
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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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Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor transfected CV-1 ...


J Med Chem 42: 3785-8 (1999)


BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 10n/an/an/an/a



Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARalpha


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


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50568102
PNG
(CHEMBL4847453)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccc(Cl)cc3)c2=O)cc1
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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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n/an/an/an/a 17n/an/an/an/a


TBA

Assay Description
Agonist activity at mouse PPARalpha transfected in Cos7 cells co-expressing with pBIND and pGL4.35 Gal4 UAS Luc reporter plasmid by measuring lucifer...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02002
BindingDB Entry DOI: 10.7270/Q2VQ36KV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 20n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50568103
PNG
(CHEMBL4847989)
Show SMILES Cc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C=C)cc3)c2=O)cc1
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 20n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50568099
PNG
(CHEMBL4855604)
Show SMILES COc1cccc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C)cc3)c2=O)c1
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50568098
PNG
(CHEMBL4877444)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccccc3)c2=O)cc1
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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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Bayer-Schering Pharma

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused mouse PPARalpha


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


Article DOI: 10.1016/j.bmcl.2010.04.019
BindingDB Entry DOI: 10.7270/Q27944V8
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50244809
PNG
((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50568101
PNG
(CHEMBL4870407)
Show SMILES COc1cc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc(OC)c1OC
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TBA

Assay Description
Agonist activity at Gal4-fused mouse PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50225835
PNG
((2s,5s)-2-methyl-5-(4-(5-methyl-2-p-tolyloxazol-4-...)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |r,wU:10.10,13.18,wD:13.14,(.84,-5.21,;-.3,-6.25,;-1.81,-5.93,;-2.58,-7.27,;-1.54,-8.41,;-.13,-7.78,;1.21,-8.54,;2.54,-7.78,;3.88,-8.54,;5.21,-7.77,;6.55,-8.54,;7.87,-7.77,;9.2,-8.55,;9.2,-10.09,;10.74,-10.08,;7.87,-10.85,;6.54,-10.08,;9.19,-11.62,;10.52,-12.4,;7.86,-12.38,;-4.11,-7.44,;-5.01,-6.19,;-6.54,-6.36,;-7.17,-7.77,;-8.7,-7.93,;-6.25,-9.01,;-4.72,-8.84,)|
Show InChI InChI=1S/C21H27NO5/c1-14-8-10-17(11-9-14)19-22-18(15(2)27-19)7-5-4-6-16-12-25-21(3,20(23)24)26-13-16/h8-11,16H,4-7,12-13H2,1-3H3,(H,23,24)/t16-,21+
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Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha expressed in CV1 cells by transactivation assay


Bioorg Med Chem 16: 981-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50373907
PNG
(CHEMBL271394)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)c(C)c1 |wU:10.10,13.18,wD:13.14,(18.77,-25.26,;17.52,-26.17,;16.06,-25.69,;15.15,-26.93,;16.05,-28.18,;17.52,-27.71,;18.76,-28.61,;20.17,-27.99,;21.42,-28.9,;22.82,-28.27,;24.07,-29.18,;25.47,-28.55,;26.71,-29.46,;26.55,-31,;26.93,-32.48,;25.13,-31.61,;23.9,-30.71,;28.02,-30.59,;29.11,-31.66,;28.41,-29.1,;13.61,-26.94,;12.85,-25.61,;11.32,-25.61,;10.54,-26.93,;9,-26.92,;11.3,-28.26,;10.52,-29.59,;12.84,-28.27,)|
Show InChI InChI=1S/C22H29NO5/c1-14-9-10-18(11-15(14)2)20-23-19(16(3)28-20)8-6-5-7-17-12-26-22(4,21(24)25)27-13-17/h9-11,17H,5-8,12-13H2,1-4H3,(H,24,25)/t17-,22+
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Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha expressed in CV1 cells by transactivation assay


Bioorg Med Chem 16: 981-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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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Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor transfected CV-1 ...


J Med Chem 42: 3785-8 (1999)


BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
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/an/a 40n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
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/an/a 40n/an/an/an/a



Consiglio Nazionale delle Ricerche



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...


J Med Chem 51: 7768-76 (2008)


Article DOI: 10.1021/jm800733h
BindingDB Entry DOI: 10.7270/Q2CC0Z0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50293847
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC(C)[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Show InChI InChI=1S/C29H25ClF3NO5/c1-16(2)27(28(36)37)38-21-6-4-5-18(13-21)15-34-17(3)25(26(35)19-7-9-20(30)10-8-19)23-12-11-22(14-24(23)34)39-29(31,32)33/h4-14,16,27H,15H2,1-3H3,(H,36,37)/t27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28699
PNG
(2-(4-chlorophenoxy)-2-methylpropanoic acid | CHEMB...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
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Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50081224
PNG
(2-(4-{2-[1-(5-Cyclohexyl-pentyl)-3-(4-fluoro-pheny...)
Show SMILES CC(C)(Oc1ccc(CCN(CCCCCC2CCCCC2)C(=O)Nc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C30H41FN2O4/c1-30(2,28(34)35)37-27-18-12-24(13-19-27)20-22-33(29(36)32-26-16-14-25(31)15-17-26)21-8-4-7-11-23-9-5-3-6-10-23/h12-19,23H,3-11,20-22H2,1-2H3,(H,32,36)(H,34,35)
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Glaxo Wellcome Research & Development

Curated by ChEMBL


Assay Description
Compound was tested for its agonist activity against murine Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor transfected CV-1 ...


J Med Chem 42: 3785-8 (1999)


BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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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Centre de Recherches

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50229207
PNG
(CHEMBL403637 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES Cc1csc(n1)-c1ccc(cc1)C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C19H16F3N3O3S2/c1-12-11-29-18(24-12)15-6-4-14(5-7-15)17(26)23-10-13-2-8-16(9-3-13)25-30(27,28)19(20,21)22/h2-9,11,25H,10H2,1H3,(H,23,26)
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Centre de Recherches

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50156523
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C38H39NO5/c1-26-34(39-35(43-26)30-13-9-12-29(24-30)28-10-7-6-8-11-28)22-23-42-32-18-14-27(15-19-32)25-38(5,36(40)41)44-33-20-16-31(17-21-33)37(2,3)4/h6-21,24H,22-23,25H2,1-5H3,(H,40,41)
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n/an/an/an/a 91n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50373910
PNG
(CHEMBL410704)
Show SMILES Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)c(F)c1 |wU:10.10,13.18,wD:13.14,(-1.93,-16.07,;-3.17,-16.97,;-4.64,-16.49,;-5.54,-17.74,;-4.64,-18.99,;-3.18,-18.51,;-1.93,-19.42,;-.52,-18.8,;.72,-19.7,;2.13,-19.08,;3.37,-19.99,;4.77,-19.35,;6.02,-20.27,;5.85,-21.8,;6.24,-23.29,;4.44,-22.42,;3.2,-21.51,;7.33,-21.4,;8.42,-22.47,;7.72,-19.91,;-7.09,-17.75,;-7.85,-16.42,;-9.38,-16.41,;-10.16,-17.74,;-11.7,-17.73,;-9.4,-19.07,;-10.18,-20.4,;-7.86,-19.08,)|
Show InChI InChI=1S/C21H26FNO5/c1-13-8-9-16(10-17(13)22)19-23-18(14(2)28-19)7-5-4-6-15-11-26-21(3,20(24)25)27-12-15/h8-10,15H,4-7,11-12H2,1-3H3,(H,24,25)/t15-,21+
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Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha expressed in CV1 cells by transactivation assay


Bioorg Med Chem 16: 981-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.007
BindingDB Entry DOI: 10.7270/Q2862H95
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50373024
PNG
(CHEMBL447533)
Show SMILES CC[C@]1(OC[C@H](CCCCc2nc(oc2C)-c2ccccc2)CO1)C(O)=O |wU:5.5,2.26,wD:2.1,(7.12,-3.74,;5.79,-2.96,;5.81,-1.42,;5.81,.13,;4.46,.91,;3.13,.13,;1.9,1.05,;.48,.44,;-.75,1.37,;-2.17,.76,;-3.41,1.69,;-4.9,1.26,;-5.75,2.54,;-4.79,3.74,;-3.36,3.2,;-2.05,4.03,;-7.29,2.55,;-8.06,1.21,;-9.6,1.21,;-10.38,2.54,;-9.6,3.87,;-8.07,3.87,;3.13,-1.42,;4.46,-2.19,;7.15,-.67,;8.48,-1.45,;7.17,.88,)|
Show InChI InChI=1S/C21H27NO5/c1-3-21(20(23)24)25-13-16(14-26-21)9-7-8-12-18-15(2)27-19(22-18)17-10-5-4-6-11-17/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,23,24)/t16-,21+
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Nippon Shinyaku Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha by transactivation assay


Bioorg Med Chem Lett 18: 2128-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.086
BindingDB Entry DOI: 10.7270/Q2K0755V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50293849
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CCC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Show InChI InChI=1S/C29H25ClF3NO5/c1-3-5-25(28(36)37)38-21-7-4-6-18(14-21)16-34-17(2)26(27(35)19-8-10-20(30)11-9-19)23-13-12-22(15-24(23)34)39-29(31,32)33/h4,6-15,25H,3,5,16H2,1-2H3,(H,36,37)/t25-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50293851
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r|
Show InChI InChI=1S/C28H23ClF3NO5/c1-3-24(27(35)36)37-20-6-4-5-17(13-20)15-33-16(2)25(26(34)18-7-9-19(29)10-8-18)22-12-11-21(14-23(22)33)38-28(30,31)32/h4-14,24H,3,15H2,1-2H3,(H,35,36)/t24-/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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 120n/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 alpha-Gal4 chimeric receptor transfected CV-1 ...


J Med Chem 42: 3785-8 (1999)


BindingDB Entry DOI: 10.7270/Q29C6WM9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50229210
PNG
(CHEMBL438346 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES COc1ccc2sc(cc2c1)C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N2O4S2/c1-27-14-6-7-15-12(8-14)9-16(28-15)17(24)22-10-11-2-4-13(5-3-11)23-29(25,26)18(19,20)21/h2-9,23H,10H2,1H3,(H,22,24)
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n/an/an/an/a 130n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28802
PNG
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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n/an/an/an/a 144n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPAR-alpha


ACS Med Chem Lett 7: 590-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28802
PNG
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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n/an/an/an/a 145n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif...


J Pharmacol Exp Ther 327: 716-26 (2008)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50293844
PNG
(1-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...)
Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(CCC2)C(O)=O)c1
Show InChI InChI=1S/C29H23ClF3NO5/c1-17-25(26(35)19-6-8-20(30)9-7-19)23-11-10-22(39-29(31,32)33)15-24(23)34(17)16-18-4-2-5-21(14-18)38-28(27(36)37)12-3-13-28/h2,4-11,14-15H,3,12-13,16H2,1H3,(H,36,37)
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


J Med Chem 52: 4443-53 (2009)


Article DOI: 10.1021/jm900367w
BindingDB Entry DOI: 10.7270/Q2028RK2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50156524
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(C)cc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C35H33NO5/c1-24-12-16-31(17-13-24)41-35(3,34(37)38)23-26-14-18-30(19-15-26)39-21-20-32-25(2)40-33(36-32)29-11-7-10-28(22-29)27-8-5-4-6-9-27/h4-19,22H,20-21,23H2,1-3H3,(H,37,38)
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n/an/an/an/a 151n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50448033
PNG
(CHEMBL3115237)
Show SMILES CCCc1c(Cc2ccc(cc2)-c2ccccc2C(O)=O)c2ccc(cc2n1C)C(=O)NC(CC)c1ccccc1
Show InChI InChI=1S/C36H36N2O3/c1-4-11-33-31(22-24-16-18-25(19-17-24)28-14-9-10-15-30(28)36(40)41)29-21-20-27(23-34(29)38(33)3)35(39)37-32(5-2)26-12-7-6-8-13-26/h6-10,12-21,23,32H,4-5,11,22H2,1-3H3,(H,37,39)(H,40,41)
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n/an/an/an/a 170n/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha expressed in CV-1 cells by reporter gene assay


Bioorg Med Chem Lett 24: 1098-103 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.004
BindingDB Entry DOI: 10.7270/Q2SQ91V1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50145723
PNG
(3-{4-[2-(2-Biphenyl-3-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-13-9-12-27(22-28)26-10-5-3-6-11-26)20-21-38-29-18-16-25(17-19-29)23-34(2,33(36)37)40-30-14-7-4-8-15-30/h3-19,22H,20-21,23H2,1-2H3,(H,36,37)
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n/an/an/an/a 173n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50164210
PNG
(2-(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C)(C)C(O)=O)C(F)(F)F
Show InChI InChI=1S/C18H22F3NO4/c1-5-7-10-9-12-14(26-22-15(12)18(19,20)21)11(8-6-2)13(10)25-17(3,4)16(23)24/h9H,5-8H2,1-4H3,(H,23,24)
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n/an/an/an/a 180n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against mouse Peroxisome proliferator activated receptor alpha


J Med Chem 48: 2262-5 (2005)


Article DOI: 10.1021/jm048993p
BindingDB Entry DOI: 10.7270/Q2VT1RM6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50229223
PNG
(4'-cyano-biphenyl-4-carboxylic acid 4-trifluoromet...)
Show SMILES FC(F)(F)S(=O)(=O)Nc1ccc(CNC(=O)c2ccc(cc2)-c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C22H16F3N3O3S/c23-22(24,25)32(30,31)28-20-11-3-16(4-12-20)14-27-21(29)19-9-7-18(8-10-19)17-5-1-15(13-26)2-6-17/h1-12,28H,14H2,(H,27,29)
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n/an/an/an/a 200n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50156527
PNG
(2-(4-tert-Butyl-phenoxy)-2-methyl-3-{4-[2-(5-methy...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C32H35NO5/c1-22-28(33-29(37-22)24-9-7-6-8-10-24)19-20-36-26-15-11-23(12-16-26)21-32(5,30(34)35)38-27-17-13-25(14-18-27)31(2,3)4/h6-18H,19-21H2,1-5H3,(H,34,35)
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n/an/an/an/a 211n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


Bioorg Med Chem Lett 14: 6113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.031
BindingDB Entry DOI: 10.7270/Q2QN67J1
More data for this
Ligand-Target Pair
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