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Compile Data Set for Download or QSAR

Found 143 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' AND taxid = 10090   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor 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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100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/a 146n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


Citation and Details
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/a 404n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


Citation and Details
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/a 515n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


Citation and Details
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/a 530n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50200411
PNG
((S)-2-(5-(3-((2-(4-ethylphenyl)-5-methylpyrimidin-...)
Show SMILES CCc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C28H33N3O3/c1-4-20-6-8-21(9-7-20)27-29-18-19(2)28(30-27)31(3)14-5-15-34-24-12-13-25-22(16-24)10-11-23(25)17-26(32)33/h6-9,12-13,16,18,23H,4-5,10-11,14-15,17H2,1-3H3,(H,32,33)/t23-/m0/s1
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n/an/a 670n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARalpha expressed in CV1 cells by GAL4 transactivation assay


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


(Mus musculus)
BDBM50156526
PNG
(3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C38H39NO5/c1-26-34(39-35(43-26)30-15-13-29(14-16-30)28-9-7-6-8-10-28)23-24-42-32-19-11-27(12-20-32)25-38(5,36(40)41)44-33-21-17-31(18-22-33)37(2,3)4/h6-22H,23-25H2,1-5H3,(H,40,41)
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n/an/a 700n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50156525
PNG
(2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(C)cc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C29H29NO5/c1-20-9-13-25(14-10-20)35-29(3,28(31)32)19-22-11-15-24(16-12-22)33-18-17-26-21(2)34-27(30-26)23-7-5-4-6-8-23/h4-16H,17-19H2,1-3H3,(H,31,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50156522
PNG
(3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(C)cc2)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H33NO5/c1-24-9-17-31(18-10-24)41-35(3,34(37)38)23-26-11-19-30(20-12-26)39-22-21-32-25(2)40-33(36-32)29-15-13-28(14-16-29)27-7-5-4-6-8-27/h4-20H,21-23H2,1-3H3,(H,37,38)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50145722
PNG
((S)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-y...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)/t28-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50200403
PNG
((S)-2-(5-(3-((2-(4-isopropylphenyl)-5-methylpyrimi...)
Show SMILES CC(C)c1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1
Show InChI InChI=1S/C29H35N3O3/c1-19(2)21-6-8-22(9-7-21)28-30-18-20(3)29(31-28)32(4)14-5-15-35-25-12-13-26-23(16-25)10-11-24(26)17-27(33)34/h6-9,12-13,16,18-19,24H,5,10-11,14-15,17H2,1-4H3,(H,33,34)/t24-/m0/s1
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n/an/a 2.53E+3n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Activity at mouse PPARalpha expressed in CV1 cells by GAL4 transactivation assay


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


(Mus musculus)
BDBM50145712
PNG
(2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50145715
PNG
((R)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-y...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@](C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)/t28-/m1/s1
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n/an/a 6.76E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50145714
PNG
(3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-17-15-27(16-18-28)26-9-5-3-6-10-26)21-22-38-29-19-13-25(14-20-29)23-34(2,33(36)37)40-30-11-7-4-8-12-30/h3-20H,21-23H2,1-2H3,(H,36,37)
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n/an/a 7.02E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of mouse Peroxisome proliferator activated receptor alpha


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor alpha


(Mus musculus)
BDBM28803
PNG
(2-[4-(4-chlorophenoxy)phenoxy]propanoic acid | Clo...)
Show SMILES CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)
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n/an/an/an/a 1.85E+4n/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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor alpha


(Mus musculus)
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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n/an/an/an/a 426n/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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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 260n/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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor alpha


(Mus musculus)
BDBM28760
PNG
((2R)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1
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-/m1/s1
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n/an/an/an/an/an/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...


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


(Mus musculus)
BDBM50049241
PNG
(4-[4-(4-Chloro-phenoxy)-phenyl]-4-oxo-butyric acid...)
Show SMILES OC(=O)CCC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H13ClO4/c17-12-3-7-14(8-4-12)21-13-5-1-11(2-6-13)15(18)9-10-16(19)20/h1-8H,9-10H2,(H,19,20)
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n/an/an/an/a 8.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro transcriptional activaion of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells


Citation and Details
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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n/an/an/an/a 5.10E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro transcriptional activaion of peroxisome proliferator activated alpha-receptor (PPAR) expressed in CV-1 cells


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


(Mus musculus)
BDBM50064455
PNG
(4-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...)
Show SMILES Cc1oc(nc1CCOc1ccc(Cc2c(O)[nH]oc2=O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O5/c1-14-19(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-18-20(25)24-29-22(18)26/h2-10,24-25H,11-13H2,1H3
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n/an/an/an/a 4.30E+3n/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)

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


(Mus musculus)
BDBM28662
PNG
(2-[4-(3-{[2-(2-chloro-6-fluorophenyl)ethyl][(2,3-d...)
Show SMILES CC(C)(Oc1ccc(CCCN(CCc2c(F)cccc2Cl)C(=O)Nc2cccc(Cl)c2Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H28Cl3FN2O4/c1-28(2,26(35)36)38-19-13-11-18(12-14-19)6-5-16-34(17-15-20-21(29)7-3-9-23(20)32)27(37)33-24-10-4-8-22(30)25(24)31/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,33,37)(H,35,36)
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n/an/an/an/a 270n/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)

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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n/an/an/an/a 33n/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)

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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n/an/an/an/a 5.00E+4n/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)

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


(Mus musculus)
BDBM28700
PNG
(2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpr...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 1.80E+4n/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)

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


(Mus musculus)
BDBM28701
PNG
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)
Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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n/an/an/an/a 9.00E+4n/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)

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)

More data for this
Ligand-Target Pair
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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n/an/an/an/a 53n/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)

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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n/an/an/an/a 10n/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)

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)

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


(Mus musculus)
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/an/a 1.80E+4n/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)

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


(Mus musculus)
BDBM50075315
PNG
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)
Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)
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n/an/an/an/a 1.00E+4n/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)

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


(Mus musculus)
BDBM50085043
PNG
(3-{4-[2-(Benzooxazol-2-yl-methyl-amino)-ethoxy]-ph...)
Show SMILES CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-3-26-19(20(24)25)14-15-8-10-16(11-9-15)27-13-12-23(2)21-22-17-6-4-5-7-18(17)28-21/h4-11,19H,3,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 930n/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)

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 630n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

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


(Mus musculus)
BDBM28701
PNG
(2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-...)
Show SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
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n/an/an/an/a 9.00E+4n/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)

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


(Mus musculus)
BDBM50085047
PNG
(2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl e...)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
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n/an/an/an/a 5.00E+4n/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)

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


(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 7.60E+3n/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)

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)

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


(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>1.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity against PPAR alpha


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

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


(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 2.50E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against murine PPAR alpha receptor


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

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


(Mus musculus)
BDBM50127222
PNG
(CHEMBL38508 | {4-[2-(3-Fluoro-4-trifluoromethyl-ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
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n/an/an/an/a 8.80E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against murine PPAR alpha receptor


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

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


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


(Mus musculus)
BDBM50156526
PNG
(3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccc(cc2)C(C)(C)C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C38H39NO5/c1-26-34(39-35(43-26)30-15-13-29(14-16-30)28-9-7-6-8-10-28)23-24-42-32-19-11-27(12-20-32)25-38(5,36(40)41)44-33-21-17-31(18-22-33)37(2,3)4/h6-22H,23-25H2,1-5H3,(H,40,41)
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n/an/an/an/a 1.17E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


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


(Mus musculus)
BDBM50145712
PNG
(2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)
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n/an/an/an/a 1.63E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


Citation and Details
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


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


(Mus musculus)
BDBM50145714
PNG
(3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H31NO5/c1-24-31(35-32(39-24)28-17-15-27(16-18-28)26-9-5-3-6-10-26)21-22-38-29-19-13-25(14-20-29)23-34(2,33(36)37)40-30-11-7-4-8-12-30/h3-20H,21-23H2,1-2H3,(H,36,37)
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n/an/an/an/a 2.34E+3n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity for mouse Peroxisome proliferator activated receptor alpha


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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