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PubMed code 21889235

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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 alpha


(Homo sapiens (Human))
BDBM50353749
PNG
(CHEMBL1828829)
Show SMILES OC(=O)CCCCOc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H18O4/c19-17(20)8-4-5-13-22-16-11-9-15(10-12-16)18(21)14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,19,20)
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n/an/an/an/a 2.71E+4n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353751
PNG
(CHEMBL1828831)
Show SMILES CC(C)(CCCOc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C19H22O4/c1-19(2,18(20)21)13-6-14-22-15-9-11-17(12-10-15)23-16-7-4-3-5-8-16/h3-5,7-12H,6,13-14H2,1-2H3,(H,20,21)
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n/an/an/an/a 9.10E+3n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353753
PNG
(CHEMBL1828834)
Show SMILES CC(C)(CCCOc1ccc(cc1)\N=N\c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H22N2O3/c1-19(2,18(22)23)13-6-14-24-17-11-9-16(10-12-17)21-20-15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3,(H,22,23)/b21-20+
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n/an/an/an/a 4.37E+4n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353757
PNG
(CHEMBL1828826)
Show SMILES CC(C)(CCCOc1ccc(\C=C\c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C21H24O3/c1-21(2,20(22)23)15-6-16-24-19-13-11-18(12-14-19)10-9-17-7-4-3-5-8-17/h3-5,7-14H,6,15-16H2,1-2H3,(H,22,23)/b10-9+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353754
PNG
(CHEMBL1828821)
Show SMILES COc1cc(CC=C)ccc1OCCCCC(O)=O
Show InChI InChI=1S/C15H20O4/c1-3-6-12-8-9-13(14(11-12)18-2)19-10-5-4-7-15(16)17/h3,8-9,11H,1,4-7,10H2,2H3,(H,16,17)
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n/an/an/an/a 1.13E+4n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353758
PNG
(CHEMBL1828827)
Show SMILES OC(=O)CCCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C20H20O4/c21-19(14-9-16-6-2-1-3-7-16)17-10-12-18(13-11-17)24-15-5-4-8-20(22)23/h1-3,6-7,9-14H,4-5,8,15H2,(H,22,23)/b14-9+
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n/an/an/an/a 1.09E+5n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353750
PNG
(CHEMBL19641)
Show SMILES CC(C)(CCCOc1ccc(cc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H22O4/c1-20(2,19(22)23)13-6-14-24-17-11-9-16(10-12-17)18(21)15-7-4-3-5-8-15/h3-5,7-12H,6,13-14H2,1-2H3,(H,22,23)
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n/an/an/an/a 9.30E+3n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor 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/an/a 200n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353752
PNG
(CHEMBL1828832)
Show SMILES OC(=O)CCCCOc1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O4/c21-17(22)8-4-5-13-24-16-11-9-15(10-12-16)20-18(23)19-14-6-2-1-3-7-14/h1-3,6-7,9-12H,4-5,8,13H2,(H,21,22)(H2,19,20,23)
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n/an/an/an/a 9.30E+3n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353755
PNG
(CHEMBL1828822)
Show SMILES COc1cc(CC=C)ccc1OCCCC(C)(C)C(O)=O
Show InChI InChI=1S/C17H24O4/c1-5-7-13-8-9-14(15(12-13)20-4)21-11-6-10-17(2,3)16(18)19/h5,8-9,12H,1,6-7,10-11H2,2-4H3,(H,18,19)
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n/an/an/an/a 6.60E+3n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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n/an/an/an/a 5.90E+4n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353756
PNG
(CHEMBL1828825)
Show SMILES OC(=O)CCCCOc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C19H20O3/c20-19(21)8-4-5-15-22-18-13-11-17(12-14-18)10-9-16-6-2-1-3-7-16/h1-3,6-7,9-14H,4-5,8,15H2,(H,20,21)/b10-9+
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n/an/an/an/a 1.88E+4n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50353759
PNG
(CHEMBL1828828)
Show SMILES CC(C)(CCCOc1ccc(cc1)C(=O)\C=C\c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H24O4/c1-22(2,21(24)25)15-6-16-26-19-12-10-18(11-13-19)20(23)14-9-17-7-4-3-5-8-17/h3-5,7-14H,6,15-16H2,1-2H3,(H,24,25)/b14-9+
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n/an/an/an/a 6.15E+4n/an/an/an/a



Universit£ degli Studi G. d'Annunzio

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused PPARalpha expressed in HEK293 cells after 18 hrs by dual luciferase reporter gene assay


Eur J Med Chem 46: 5218-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.08.022
BindingDB Entry DOI: 10.7270/Q2348KRV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%