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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'iacobazzi' and Initial = 'v'   
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 gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 39n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423895
PNG
(CHEMBL2312702)
Show SMILES CC(C)c1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423896
PNG
(CHEMBL2312701)
Show SMILES CCc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C23H22O3/c1-2-18-10-6-7-11-21(18)19-12-14-20(15-13-19)26-22(23(24)25)16-17-8-4-3-5-9-17/h3-15,22H,2,16H2,1H3,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423897
PNG
(CHEMBL2312700)
Show SMILES COc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H20O4/c1-25-20-10-6-5-9-19(20)17-11-13-18(14-12-17)26-21(22(23)24)15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 2.30E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423898
PNG
(CHEMBL2312718)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C27H22O3/c28-27(29)26(19-20-9-3-1-4-10-20)30-23-17-15-22(16-18-23)25-14-8-7-13-24(25)21-11-5-2-6-12-21/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423899
PNG
(CHEMBL2312717)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H17F3O3/c23-22(24,25)19-9-5-4-8-18(19)16-10-12-17(13-11-16)28-20(21(26)27)14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,26,27)/t20-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423900
PNG
(CHEMBL2312716)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1F |r|
Show InChI InChI=1S/C21H17FO3/c22-19-9-5-4-8-18(19)16-10-12-17(13-11-16)25-20(21(23)24)14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 690n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423901
PNG
(CHEMBL2312715)
Show SMILES Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1C |r|
Show InChI InChI=1S/C23H22O3/c1-16-8-6-7-11-20(16)21-13-12-19(14-17(21)2)26-22(23(24)25)15-18-9-4-3-5-10-18/h3-14,22H,15H2,1-2H3,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 640n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423902
PNG
(CHEMBL2312714)
Show SMILES Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-7-5-6-10-20(16)18-11-13-19(14-12-18)25-21(22(23)24)15-17-8-3-2-4-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423903
PNG
(CHEMBL2312713)
Show SMILES Cc1cccc(c1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H20O3/c1-16-6-5-9-19(14-16)18-10-12-20(13-11-18)25-21(22(23)24)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,23,24)
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n/an/an/an/a 460n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423904
PNG
(CHEMBL2312712)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-7-9-18(10-8-16)19-11-13-20(14-12-19)25-21(22(23)24)15-17-5-3-2-4-6-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 590n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423905
PNG
(CHEMBL2312711)
Show SMILES Cc1cccc(C)c1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C23H22O3/c1-16-7-6-8-17(2)22(16)19-11-13-20(14-12-19)26-21(23(24)25)15-18-9-4-3-5-10-18/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m0/s1
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n/an/an/an/a 2.54E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423906
PNG
(CHEMBL2312710)
Show SMILES Cc1cc(OC(Cc2ccccc2)C(O)=O)cc(C)c1-c1ccccc1
Show InChI InChI=1S/C23H22O3/c1-16-13-20(14-17(2)22(16)19-11-7-4-8-12-19)26-21(23(24)25)15-18-9-5-3-6-10-18/h3-14,21H,15H2,1-2H3,(H,24,25)
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n/an/an/an/a 2.04E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423907
PNG
(CHEMBL2312709)
Show SMILES Cc1cc(cc(C)c1O[C@@H](Cc1ccccc1)C(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C23H22O3/c1-16-13-20(19-11-7-4-8-12-19)14-17(2)22(16)26-21(23(24)25)15-18-9-5-3-6-10-18/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m0/s1
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n/an/an/an/a 3.10E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423908
PNG
(CHEMBL2312708)
Show SMILES Cc1cc(O[C@@H](Cc2ccccc2)C(O)=O)ccc1-c1ccccc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-14-19(12-13-20(16)18-10-6-3-7-11-18)25-21(22(23)24)15-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50423909
PNG
(CHEMBL2312707)
Show SMILES Cc1cc(ccc1O[C@@H](Cc1ccccc1)C(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-14-19(18-10-6-3-7-11-18)12-13-20(16)25-21(22(23)24)15-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
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 550n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(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/an/a 1.56E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423910
PNG
(CHEMBL2312706)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C29H26O3/c30-29(31)28(21-23-11-5-2-6-12-23)32-26-19-17-25(18-20-26)27-14-8-7-13-24(27)16-15-22-9-3-1-4-10-22/h1-14,17-20,28H,15-16,21H2,(H,30,31)
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Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423911
PNG
(CHEMBL2312705)
Show SMILES CCCCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C26H28O3/c1-2-3-5-12-21-13-8-9-14-24(21)22-15-17-23(18-16-22)29-25(26(27)28)19-20-10-6-4-7-11-20/h4,6-11,13-18,25H,2-3,5,12,19H2,1H3,(H,27,28)
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n/an/an/an/a 500n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423912
PNG
(CHEMBL2312704)
Show SMILES CCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C24H24O3/c1-2-8-19-11-6-7-12-22(19)20-13-15-21(16-14-20)27-23(24(25)26)17-18-9-4-3-5-10-18/h3-7,9-16,23H,2,8,17H2,1H3,(H,25,26)
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n/an/an/an/a 240n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423913
PNG
(CHEMBL2312703)
Show SMILES CC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423895
PNG
(CHEMBL2312702)
Show SMILES CC(C)c1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423896
PNG
(CHEMBL2312701)
Show SMILES CCc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C23H22O3/c1-2-18-10-6-7-11-21(18)19-12-14-20(15-13-19)26-22(23(24)25)16-17-8-4-3-5-9-17/h3-15,22H,2,16H2,1H3,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423897
PNG
(CHEMBL2312700)
Show SMILES COc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H20O4/c1-25-20-10-6-5-9-19(20)17-11-13-18(14-12-17)26-21(22(23)24)15-16-7-3-2-4-8-16/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423898
PNG
(CHEMBL2312718)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1-c1ccccc1 |r|
Show InChI InChI=1S/C27H22O3/c28-27(29)26(19-20-9-3-1-4-10-20)30-23-17-15-22(16-18-23)25-14-8-7-13-24(25)21-11-5-2-6-12-21/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1
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Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423899
PNG
(CHEMBL2312717)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C22H17F3O3/c23-22(24,25)19-9-5-4-8-18(19)16-10-12-17(13-11-16)28-20(21(26)27)14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,26,27)/t20-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423900
PNG
(CHEMBL2312716)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1F |r|
Show InChI InChI=1S/C21H17FO3/c22-19-9-5-4-8-18(19)16-10-12-17(13-11-16)25-20(21(23)24)14-15-6-2-1-3-7-15/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423901
PNG
(CHEMBL2312715)
Show SMILES Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1C |r|
Show InChI InChI=1S/C23H22O3/c1-16-8-6-7-11-20(16)21-13-12-19(14-17(21)2)26-22(23(24)25)15-18-9-4-3-5-10-18/h3-14,22H,15H2,1-2H3,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 31n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423902
PNG
(CHEMBL2312714)
Show SMILES Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-7-5-6-10-20(16)18-11-13-19(14-12-18)25-21(22(23)24)15-17-8-3-2-4-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423903
PNG
(CHEMBL2312713)
Show SMILES Cc1cccc(c1)-c1ccc(OC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H20O3/c1-16-6-5-9-19(14-16)18-10-12-20(13-11-18)25-21(22(23)24)15-17-7-3-2-4-8-17/h2-14,21H,15H2,1H3,(H,23,24)
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n/an/an/an/a 220n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423904
PNG
(CHEMBL2312712)
Show SMILES Cc1ccc(cc1)-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-7-9-18(10-8-16)19-11-13-20(14-12-19)25-21(22(23)24)15-17-5-3-2-4-6-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423905
PNG
(CHEMBL2312711)
Show SMILES Cc1cccc(C)c1-c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1 |r|
Show InChI InChI=1S/C23H22O3/c1-16-7-6-8-17(2)22(16)19-11-13-20(14-12-19)26-21(23(24)25)15-18-9-4-3-5-10-18/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423906
PNG
(CHEMBL2312710)
Show SMILES Cc1cc(OC(Cc2ccccc2)C(O)=O)cc(C)c1-c1ccccc1
Show InChI InChI=1S/C23H22O3/c1-16-13-20(14-17(2)22(16)19-11-7-4-8-12-19)26-21(23(24)25)15-18-9-5-3-6-10-18/h3-14,21H,15H2,1-2H3,(H,24,25)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423907
PNG
(CHEMBL2312709)
Show SMILES Cc1cc(cc(C)c1O[C@@H](Cc1ccccc1)C(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C23H22O3/c1-16-13-20(19-11-7-4-8-12-19)14-17(2)22(16)26-21(23(24)25)15-18-9-5-3-6-10-18/h3-14,21H,15H2,1-2H3,(H,24,25)/t21-/m0/s1
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n/an/an/an/a 1.13E+3n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423908
PNG
(CHEMBL2312708)
Show SMILES Cc1cc(O[C@@H](Cc2ccccc2)C(O)=O)ccc1-c1ccccc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-14-19(12-13-20(16)18-10-6-3-7-11-18)25-21(22(23)24)15-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50423909
PNG
(CHEMBL2312707)
Show SMILES Cc1cc(ccc1O[C@@H](Cc1ccccc1)C(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C22H20O3/c1-16-14-19(18-10-6-3-7-11-18)12-13-20(16)25-21(22(23)24)15-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 990n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
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 190n/an/an/an/a



Universit� degli Studi di Bari&quo

Curated by ChEMBL


Assay Description
Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assay


J Med Chem 56: 60-72 (2013)


Article DOI: 10.1021/jm301018z
BindingDB Entry DOI: 10.7270/Q25140HR
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/an/a 0.430n/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta (unknown origin) assessed as kinetic dissociation constant by SPR assay


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


(Homo sapiens (Human))
BDBM50235984
PNG
(CHEMBL4064900)
Show SMILES CC(Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/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)
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n/an/an/an/a 39n/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 alpha


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/a 46n/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 alpha


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
Show SMILES C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/an/a 42n/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 delta


(Homo sapiens (Human))
BDBM50085041
PNG
(2-(4-(3-(4-acetyl-3-hydroxy-2-propylphenoxy)propox...)
Show SMILES CCCc1c(O)c(ccc1OCCCOc1ccc(OCC(O)=O)cc1)C(C)=O
Show InChI InChI=1S/C22H26O7/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)28-13-4-12-27-16-6-8-17(9-7-16)29-14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)
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n/an/an/an/a 20n/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


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/an/a 0.0160n/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 alpha


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
Show SMILES C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/an/an/a 0.0250n/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 alpha


(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/an/an/a 0.360n/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 gamma


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
Show SMILES C[C@@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/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-/m1/s1
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n/an/an/an/an/a 0.0950n/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 gamma


(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/an/an/a 2.30n/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 gamma


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
Show SMILES C[C@H](Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/an/an/an/a 0.0990n/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 gamma


(Homo sapiens (Human))
BDBM50235984
PNG
(CHEMBL4064900)
Show SMILES CC(Oc1ccc(Cc2ccc(OCc3coc(n3)-c3ccccc3)cc2)cc1)C(O)=O
Show InChI InChI=1S/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)
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n/an/an/an/a 290n/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
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