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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' AND taxid = 10036   
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


(Mesocricetus auratus (golden hamster))
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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PubMed
n/an/an/an/a 178n/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)

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


(Mesocricetus auratus (golden hamster))
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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PubMed
n/an/an/an/a 488n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at syrian golden hamster PPARalpha LBD (167-468) expressed in HEK293 cells coexpressing GAL4-DBD by transactivation assay


J Med Chem 53: 2854-64 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome Proliferator-Activated Receptor alpha


(Mesocricetus auratus (golden hamster))
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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PDB
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AffyNet 
MMDB
PDB
Article
PubMed
n/an/an/an/a 488n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome Proliferator-Activated Receptor alpha


(Mesocricetus auratus (golden hamster))
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)
PDB
MMDB

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 2.87E+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...


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

More data for this
Ligand-Target Pair