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PubMed code 19775169

Compile data set for download or QSAR
Found 41 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))		BDBM50299112
PNG
((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299120
PNG
(CHEMBL574824 | rac-2-(4-Phenylaminomethyl-phenoxy)...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CNc2ccccc2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)21(15-17-7-3-1-4-8-17)26-20-13-11-18(12-14-20)16-23-19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H,24,25)
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n/an/an/an/a 9.40E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299112
PNG
((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299118
PNG
(CHEMBL573018 | rac-2-(4-trans-Styryl-phenoxy)-3-ph...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-16,22H,17H2,(H,24,25)/b12-11+
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n/an/an/an/a 720n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299115
PNG
(CHEMBL573252 | rac-2-(4-Benzylthio-phenoxy)-3-phen...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1
Show InChI InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-11-13-20(14-12-19)26-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299111
PNG
(CHEMBL572565 | rac-2-(4-Benzyloxy-phenoxy)-3-pheny...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)21(15-17-7-3-1-4-8-17)26-20-13-11-19(12-14-20)25-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
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 3.00E+4n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299112
PNG
((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299119
PNG
(CHEMBL574607 | rac-2-[4-(3-Phenyl-propyl)phenoxy]-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1
Show InChI InChI=1S/C24H24O3/c25-24(26)23(18-21-10-5-2-6-11-21)27-22-16-14-20(15-17-22)13-7-12-19-8-3-1-4-9-19/h1-6,8-11,14-17,23H,7,12-13,18H2,(H,25,26)
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n/an/an/an/a 870n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299120
PNG
(CHEMBL574824 | rac-2-(4-Phenylaminomethyl-phenoxy)...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CNc2ccccc2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)21(15-17-7-3-1-4-8-17)26-20-13-11-18(12-14-20)16-23-19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H,24,25)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299122
PNG
(CHEMBL573492 | rac-2-(4-Phenylacetyl-phenoxy)-3-ph...)
Show SMILES [O-]C(=O)C(Cc1ccccc1)Oc1ccc(cc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C23H20O4/c24-21(15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27-22(23(25)26)16-18-9-5-2-6-10-18/h1-14,22H,15-16H2,(H,25,26)/p-1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299123
PNG
((R)-2-(4-Benzyl-phenoxy)-3-phenyl-propanoic Acid |...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299117
PNG
(CHEMBL572566 | rac-2-(4-Phenoxymethyl-phenoxy)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)21(15-17-7-3-1-4-8-17)26-20-13-11-18(12-14-20)16-25-19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299113
PNG
(CHEMBL572795 | rac-2-(4-cis-Styryl-phenoxy)-3-phen...)
Show SMILES [O-]C(=O)C(Cc1ccccc1)Oc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-16,22H,17H2,(H,24,25)/p-1/b12-11-
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n/an/an/an/a 160n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299115
PNG
(CHEMBL573252 | rac-2-(4-Benzylthio-phenoxy)-3-phen...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1
Show InChI InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-11-13-20(14-12-19)26-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 488n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299116
PNG
(CHEMBL574606 | rac-2-(4-Phenylethynyl-phenoxy)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C23H18O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,17H2,(H,24,25)
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n/an/an/an/a 540n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299109
PNG
((2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 572n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299109
PNG
((2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
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

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299111
PNG
(CHEMBL572565 | rac-2-(4-Benzyloxy-phenoxy)-3-pheny...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)21(15-17-7-3-1-4-8-17)26-20-13-11-19(12-14-20)25-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 107n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299114
PNG
(CHEMBL573015 | rac-2-(4-Phenylthiomethyl-phenoxy)-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1
Show InChI InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)16-26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 400n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
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 560n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299113
PNG
(CHEMBL572795 | rac-2-(4-cis-Styryl-phenoxy)-3-phen...)
Show SMILES [O-]C(=O)C(Cc1ccccc1)Oc1ccc(\C=C/c2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-16,22H,17H2,(H,24,25)/p-1/b12-11-
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n/an/an/an/a 1.50E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299122
PNG
(CHEMBL573492 | rac-2-(4-Phenylacetyl-phenoxy)-3-ph...)
Show SMILES [O-]C(=O)C(Cc1ccccc1)Oc1ccc(cc1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C23H20O4/c24-21(15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27-22(23(25)26)16-18-9-5-2-6-10-18/h1-14,22H,15-16H2,(H,25,26)/p-1
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n/an/an/an/a 9.10E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299124
PNG
(CHEMBL583759 | rac-2-(4-Benzylamino-phenoxy)-3-phe...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)21(15-17-7-3-1-4-8-17)26-20-13-11-19(12-14-20)23-16-18-9-5-2-6-10-18/h1-14,21,23H,15-16H2,(H,24,25)
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n/an/an/an/a 1.30E+4n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28700
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...)
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 3.00E+5n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299109
PNG
((2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299110
PNG
(CHEMBL578860 | rac-2-(4-Phenoxy-phenoxy)-3-phenyl-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H18O4/c22-21(23)20(15-16-7-3-1-4-8-16)25-19-13-11-18(12-14-19)24-17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)
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n/an/an/an/a 60n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299114
PNG
(CHEMBL573015 | rac-2-(4-Phenylthiomethyl-phenoxy)-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1
Show InChI InChI=1S/C22H20O3S/c23-22(24)21(15-17-7-3-1-4-8-17)25-19-13-11-18(12-14-19)16-26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 310n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299117
PNG
(CHEMBL572566 | rac-2-(4-Phenoxymethyl-phenoxy)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)21(15-17-7-3-1-4-8-17)26-20-13-11-18(12-14-20)16-25-19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,23,24)
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n/an/an/an/a 600n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299110
PNG
(CHEMBL578860 | rac-2-(4-Phenoxy-phenoxy)-3-phenyl-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H18O4/c22-21(23)20(15-16-7-3-1-4-8-16)25-19-13-11-18(12-14-19)24-17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)
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n/an/an/an/a 1.21E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299123
PNG
((R)-2-(4-Benzyl-phenoxy)-3-phenyl-propanoic Acid |...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m1/s1
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n/an/an/an/a 5.70E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299109
PNG
((2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cc2ccccc2)cc1 |r|
Show InChI InChI=1S/C22H20O3/c23-22(24)21(16-18-9-5-2-6-10-18)25-20-13-11-19(12-14-20)15-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 580n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
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 1.60E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299118
PNG
(CHEMBL573018 | rac-2-(4-trans-Styryl-phenoxy)-3-ph...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C23H20O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-16,22H,17H2,(H,24,25)/b12-11+
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n/an/an/an/a 1.75E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299124
PNG
(CHEMBL583759 | rac-2-(4-Benzylamino-phenoxy)-3-phe...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C22H21NO3/c24-22(25)21(15-17-7-3-1-4-8-17)26-20-13-11-19(12-14-20)23-16-18-9-5-2-6-10-18/h1-14,21,23H,15-16H2,(H,24,25)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299112
PNG
((2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic aci...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 860n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299119
PNG
(CHEMBL574607 | rac-2-[4-(3-Phenyl-propyl)phenoxy]-...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1
Show InChI InChI=1S/C24H24O3/c25-24(26)23(18-21-10-5-2-6-11-21)27-22-16-14-20(15-17-22)13-7-12-19-8-3-1-4-9-19/h1-6,8-11,14-17,23H,7,12-13,18H2,(H,25,26)
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n/an/an/an/a 720n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50299116
PNG
(CHEMBL574606 | rac-2-(4-Phenylethynyl-phenoxy)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C23H18O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,17H2,(H,24,25)
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n/an/an/an/a 1.36E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50299121
PNG
((R)-2-(4-Phenethyl-phenoxy)-3-phenyl-propanoic Aci...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H22O3/c24-23(25)22(17-20-9-5-2-6-10-20)26-21-15-13-19(14-16-21)12-11-18-7-3-1-4-8-18/h1-10,13-16,22H,11-12,17H2,(H,24,25)/t22-/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
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

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...

J Med Chem 52: 6382-93 (2009)


Article DOI: 10.1021/jm900941b
BindingDB Entry DOI: 10.7270/Q2862GHF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%