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PubMed code 18835719

Compile data set for download or QSAR
Found 42 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 gamma


(Homo sapiens (Human))		BDBM50275749
PNG
((+/-)-3-(2-bromophenyl)-2-(4-chlorophenoxy)propano...)
Show SMILES OC(=O)C(Cc1ccccc1Br)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12BrClO3/c16-13-4-2-1-3-10(13)9-14(15(18)19)20-12-7-5-11(17)6-8-12/h1-8,14H,9H2,(H,18,19)
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n/an/an/an/a 2.48E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275747
PNG
((+/-)-2-(3,4-dichlorophenoxy)-3-phenylpropanoic ac...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H12Cl2O3/c16-12-7-6-11(9-13(12)17)20-14(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,19)
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n/an/an/an/a 4.49E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275865
PNG
(2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic ac...)
Show SMILES CCCc1ccc(CC(Oc2ccc(Cl)cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H19ClO3/c1-2-3-13-4-6-14(7-5-13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,21)
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n/an/an/an/a 1.39E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275923
PNG
((S)-3-(biphenyl-4-yl)-2-(4-chlorophenoxy)propanoic...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO3/c22-18-10-12-19(13-11-18)25-20(21(23)24)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275750
PNG
((+/-)-2-(4-chlorophenoxy)-3-o-tolylpropanoic acid ...)
Show SMILES Cc1ccccc1CC(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClO3/c1-11-4-2-3-5-12(11)10-15(16(18)19)20-14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,19)
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n/an/an/an/a 9.25E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275921
PNG
((R)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propano...)
Show SMILES OC(=O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)/t20-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275748
PNG
((+/-)-2-(4-chlorophenoxy)-3-(2-chlorophenyl)propan...)
Show SMILES OC(=O)C(Cc1ccccc1Cl)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12Cl2O3/c16-11-5-7-12(8-6-11)20-14(15(18)19)9-10-3-1-2-4-13(10)17/h1-8,14H,9H2,(H,18,19)
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n/an/an/an/a 2.18E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50171897
PNG
((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
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n/an/an/an/a 7.94E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275921
PNG
((R)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propano...)
Show SMILES OC(=O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)/t20-/m1/s1
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n/an/an/an/a 1.13E+4n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275968
PNG
((S)-2-(4-chlorophenoxy)-3-(4-(trifluoromethyl)phen...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(F)(F)F)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C16H12ClF3O3/c17-12-5-7-13(8-6-12)23-14(15(21)22)9-10-1-3-11(4-2-10)16(18,19)20/h1-8,14H,9H2,(H,21,22)/t14-/m0/s1
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n/an/an/an/a 3.65E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275867
PNG
((+/-)-2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propa...)
Show SMILES OC(=O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClO4/c22-16-9-11-18(12-10-16)26-20(21(23)24)14-15-5-4-8-19(13-15)25-17-6-2-1-3-7-17/h1-13,20H,14H2,(H,23,24)
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n/an/an/an/a 240n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275924
PNG
((S)-2-(4-chlorophenoxy)-3-(4-(thiophen-2-yl)phenyl...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClO3S/c20-15-7-9-16(10-8-15)23-17(19(21)22)12-13-3-5-14(6-4-13)18-2-1-11-24-18/h1-11,17H,12H2,(H,21,22)/t17-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275698
PNG
((+/-)-2-(2-bromo-4-chlorophenoxy)-3-phenylpropanoi...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Br
Show InChI InChI=1S/C15H12BrClO3/c16-12-9-11(17)6-7-13(12)20-14(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,19)
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n/an/an/an/a 1.65E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275748
PNG
((+/-)-2-(4-chlorophenoxy)-3-(2-chlorophenyl)propan...)
Show SMILES OC(=O)C(Cc1ccccc1Cl)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12Cl2O3/c16-11-5-7-12(8-6-11)20-14(15(18)19)9-10-3-1-2-4-13(10)17/h1-8,14H,9H2,(H,18,19)
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n/an/an/an/a 2.23E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275804
PNG
((+/-)-2-(4-chlorophenoxy)-3-(2-(trifluoromethyl)ph...)
Show SMILES OC(=O)C(Cc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClF3O3/c17-11-5-7-12(8-6-11)23-14(15(21)22)9-10-3-1-2-4-13(10)16(18,19)20/h1-8,14H,9H2,(H,21,22)
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n/an/an/an/a 4.03E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275922
PNG
((S)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propano...)
Show SMILES OC(=O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 870n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275749
PNG
((+/-)-3-(2-bromophenyl)-2-(4-chlorophenoxy)propano...)
Show SMILES OC(=O)C(Cc1ccccc1Br)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12BrClO3/c16-13-4-2-1-3-10(13)9-14(15(18)19)20-12-7-5-11(17)6-8-12/h1-8,14H,9H2,(H,18,19)
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n/an/an/an/a 2.25E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275804
PNG
((+/-)-2-(4-chlorophenoxy)-3-(2-(trifluoromethyl)ph...)
Show SMILES OC(=O)C(Cc1ccccc1C(F)(F)F)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClF3O3/c17-11-5-7-12(8-6-11)23-14(15(21)22)9-10-3-1-2-4-13(10)16(18,19)20/h1-8,14H,9H2,(H,21,22)
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n/an/an/an/a 2.49E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275920
PNG
((+/-)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propa...)
Show SMILES OC(=O)C(Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)
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n/an/an/an/a 64n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275923
PNG
((S)-3-(biphenyl-4-yl)-2-(4-chlorophenoxy)propanoic...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO3/c22-18-10-12-19(13-11-18)25-20(21(23)24)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275968
PNG
((S)-2-(4-chlorophenoxy)-3-(4-(trifluoromethyl)phen...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C(F)(F)F)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C16H12ClF3O3/c17-12-5-7-13(8-6-12)23-14(15(21)22)9-10-1-3-11(4-2-10)16(18,19)20/h1-8,14H,9H2,(H,21,22)/t14-/m0/s1
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n/an/an/an/a 420n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275747
PNG
((+/-)-2-(3,4-dichlorophenoxy)-3-phenylpropanoic ac...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H12Cl2O3/c16-12-7-6-11(9-13(12)17)20-14(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,19)
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n/an/an/an/a 2.55E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275750
PNG
((+/-)-2-(4-chlorophenoxy)-3-o-tolylpropanoic acid ...)
Show SMILES Cc1ccccc1CC(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClO3/c1-11-4-2-3-5-12(11)10-15(16(18)19)20-14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,19)
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n/an/an/an/a 8.54E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275865
PNG
(2-(4-chlorophenoxy)-3-(4-propylphenyl)propanoic ac...)
Show SMILES CCCc1ccc(CC(Oc2ccc(Cl)cc2)C(O)=O)cc1
Show InChI InChI=1S/C18H19ClO3/c1-2-3-13-4-6-14(7-5-13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h4-11,17H,2-3,12H2,1H3,(H,20,21)
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n/an/an/an/a 350n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275697
PNG
((+/-)-2-(2,4-dichlorophenoxy)-3-phenylpropanoic ac...)
Show SMILES OC(=O)C(Cc1ccccc1)Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H12Cl2O3/c16-11-6-7-13(12(17)9-11)20-14(15(18)19)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,18,19)
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n/an/an/an/a 2.12E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275805
PNG
((+/-)-2-(4-chlorophenoxy)-3-(2-phenoxyphenyl)propa...)
Show SMILES OC(=O)C(Cc1ccccc1Oc1ccccc1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClO4/c22-16-10-12-18(13-11-16)26-20(21(23)24)14-15-6-4-5-9-19(15)25-17-7-2-1-3-8-17/h1-13,20H,14H2,(H,23,24)
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n/an/an/an/a 1.14E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275862
PNG
((+/-)-4,4'-(2-(prop-1-en-2-yl)propane-1,3-diyl)bis...)
Show SMILES OC(=O)C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12Cl2O3/c16-11-3-1-10(2-4-11)9-14(15(18)19)20-13-7-5-12(17)6-8-13/h1-8,14H,9H2,(H,18,19)
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n/an/an/an/a 2.23E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275922
PNG
((S)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propano...)
Show SMILES OC(=O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)/t20-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275751
PNG
(2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic ac...)
Show SMILES CCCc1ccccc1CC(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H19ClO3/c1-2-5-13-6-3-4-7-14(13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h3-4,6-11,17H,2,5,12H2,1H3,(H,20,21)
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n/an/an/an/a 3.68E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
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/a 1.60E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50171897
PNG
((2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H13ClO3/c16-12-6-8-13(9-7-12)19-14(15(17)18)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1
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n/an/an/an/a 1.45E+4n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275863
PNG
((+/-)-3-(4-bromophenyl)-2-(4-chlorophenoxy)propano...)
Show SMILES OC(=O)C(Cc1ccc(Br)cc1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12BrClO3/c16-11-3-1-10(2-4-11)9-14(15(18)19)20-13-7-5-12(17)6-8-13/h1-8,14H,9H2,(H,18,19)
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n/an/an/an/a 2.07E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275864
PNG
((+/-)-2-(4-chlorophenoxy)-3-p-tolylpropanoic acid ...)
Show SMILES Cc1ccc(CC(Oc2ccc(Cl)cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H15ClO3/c1-11-2-4-12(5-3-11)10-15(16(18)19)20-14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,19)
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n/an/an/an/a 4.36E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275920
PNG
((+/-)-2-(4-chlorophenoxy)-3-(4-phenoxyphenyl)propa...)
Show SMILES OC(=O)C(Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClO4/c22-16-8-12-19(13-9-16)26-20(21(23)24)14-15-6-10-18(11-7-15)25-17-4-2-1-3-5-17/h1-13,20H,14H2,(H,23,24)
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n/an/an/an/a 1.06E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275924
PNG
((S)-2-(4-chlorophenoxy)-3-(4-(thiophen-2-yl)phenyl...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1cccs1)Oc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H15ClO3S/c20-15-7-9-16(10-8-15)23-17(19(21)22)12-13-3-5-14(6-4-13)18-2-1-11-24-18/h1-11,17H,12H2,(H,21,22)/t17-/m0/s1
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n/an/an/an/a 590n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275751
PNG
(2-(4-chlorophenoxy)-3-(2-propylphenyl)propanoic ac...)
Show SMILES CCCc1ccccc1CC(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H19ClO3/c1-2-5-13-6-3-4-7-14(13)12-17(18(20)21)22-16-10-8-15(19)9-11-16/h3-4,6-11,17H,2,5,12H2,1H3,(H,20,21)
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n/an/an/an/a 1.43E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275863
PNG
((+/-)-3-(4-bromophenyl)-2-(4-chlorophenoxy)propano...)
Show SMILES OC(=O)C(Cc1ccc(Br)cc1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12BrClO3/c16-11-3-1-10(2-4-11)9-14(15(18)19)20-13-7-5-12(17)6-8-13/h1-8,14H,9H2,(H,18,19)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275866
PNG
(2-(4-chlorophenoxy)-3-(4-hexylphenyl)propanoic aci...)
Show SMILES CCCCCCc1ccc(CC(Oc2ccc(Cl)cc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25ClO3/c1-2-3-4-5-6-16-7-9-17(10-8-16)15-20(21(23)24)25-19-13-11-18(22)12-14-19/h7-14,20H,2-6,15H2,1H3,(H,23,24)
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n/an/an/an/a 450n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275867
PNG
((+/-)-2-(4-chlorophenoxy)-3-(3-phenoxyphenyl)propa...)
Show SMILES OC(=O)C(Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClO4/c22-16-9-11-18(12-10-16)26-20(21(23)24)14-15-5-4-8-19(13-15)25-17-6-2-1-3-7-17/h1-13,20H,14H2,(H,23,24)
PDB
MMDB

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KEGG

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n/an/an/an/a 3.06E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50275864
PNG
((+/-)-2-(4-chlorophenoxy)-3-p-tolylpropanoic acid ...)
Show SMILES Cc1ccc(CC(Oc2ccc(Cl)cc2)C(O)=O)cc1
Show InChI InChI=1S/C16H15ClO3/c1-11-2-4-12(5-3-11)10-15(16(18)19)20-14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,19)
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n/an/an/an/a 2.81E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50275862
PNG
((+/-)-4,4'-(2-(prop-1-en-2-yl)propane-1,3-diyl)bis...)
Show SMILES OC(=O)C(Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12Cl2O3/c16-11-3-1-10(2-4-11)9-14(15(18)19)20-13-7-5-12(17)6-8-13/h1-8,14H,9H2,(H,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PubMed
n/an/an/an/a 3.16E+3n/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with Gal4 by luciferase reporter gene assay

Bioorg Med Chem 16: 9498-510 (2008)


Article DOI: 10.1016/j.bmc.2008.09.045
BindingDB Entry DOI: 10.7270/Q2CC10JC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%