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Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'fruchart' and Initial = 'jc'   
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))
BDBM50171895
PNG
((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...)
Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
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 0.200n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171896
PNG
((S)-2-(4-Hydroxymethyl-phenoxy)-3-phenyl-propionic...)
Show SMILES OCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C16H16O4/c17-11-13-6-8-14(9-7-13)20-15(16(18)19)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)/t15-/m0/s1
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n/an/an/an/a 2.57E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
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 500n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
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 3.90E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171899
PNG
((S)-2-(4'-Chloro-biphenyl-4-ylmethoxy)-pentanoic a...)
Show SMILES CCC[C@H](OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171898
PNG
((S)-3-Phenyl-2-(4-trifluoromethyl-phenoxy)-propion...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171900
PNG
((S)-3-Phenyl-2-(4-thiophen-2-yl-phenoxy)-propionic...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C19H16O3S/c20-19(21)17(13-14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)18-7-4-12-23-18/h1-12,17H,13H2,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28699
PNG
(2-(4-chlorophenoxy)-2-methylpropanoic acid | CHEMB...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
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n/an/an/an/a 3.09E+5n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171901
PNG
((R)-2-(Naphthalen-2-yloxy)-pentanoic acid | CHEMBL...)
Show SMILES CCC[C@@H](Oc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C15H16O3/c1-2-5-14(15(16)17)18-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3,(H,16,17)/t14-/m1/s1
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n/an/an/an/a 1.25E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171902
PNG
((S)-2-(Naphthalen-2-yloxy)-pentanoic acid | CHEMBL...)
Show SMILES CCC[C@H](Oc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C15H16O3/c1-2-5-14(15(16)17)18-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3,(H,16,17)/t14-/m0/s1
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n/an/an/an/a 7.20E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171903
PNG
((S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H16O3/c20-19(21)18(12-14-6-2-1-3-7-14)22-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)/t18-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28699
PNG
(2-(4-chlorophenoxy)-2-methylpropanoic acid | CHEMB...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
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n/an/an/an/a 3.96E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 2.70E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171904
PNG
((S)-2-(4-Methoxy-phenoxy)-3-phenyl-propionic acid ...)
Show SMILES COc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C16H16O4/c1-19-13-7-9-14(10-8-13)20-15(16(17)18)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,17,18)/t15-/m0/s1
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n/an/an/an/a 2.01E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171905
PNG
((S)-2-(4-Acetyl-phenoxy)-3-phenyl-propionic acid |...)
Show SMILES CC(=O)c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H16O4/c1-12(18)14-7-9-15(10-8-14)21-16(17(19)20)11-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,19,20)/t16-/m0/s1
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n/an/an/an/a 1.24E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171898
PNG
((S)-3-Phenyl-2-(4-trifluoromethyl-phenoxy)-propion...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171902
PNG
((S)-2-(Naphthalen-2-yloxy)-pentanoic acid | CHEMBL...)
Show SMILES CCC[C@H](Oc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C15H16O3/c1-2-5-14(15(16)17)18-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3,(H,16,17)/t14-/m0/s1
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n/an/an/an/a 8.40E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
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 500n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171906
PNG
((R)-2-(4'-Chloro-biphenyl-4-ylmethoxy)-pentanoic a...)
Show SMILES CCC[C@@H](OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/m1/s1
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n/an/an/an/a 5.40E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171904
PNG
((S)-2-(4-Methoxy-phenoxy)-3-phenyl-propionic acid ...)
Show SMILES COc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C16H16O4/c1-19-13-7-9-14(10-8-13)20-15(16(17)18)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3,(H,17,18)/t15-/m0/s1
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n/an/an/an/a 2.50E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171900
PNG
((S)-3-Phenyl-2-(4-thiophen-2-yl-phenoxy)-propionic...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C19H16O3S/c20-19(21)17(13-14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)18-7-4-12-23-18/h1-12,17H,13H2,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 900n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
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 1.30n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171905
PNG
((S)-2-(4-Acetyl-phenoxy)-3-phenyl-propionic acid |...)
Show SMILES CC(=O)c1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H16O4/c1-12(18)14-7-9-15(10-8-14)21-16(17(19)20)11-13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H,19,20)/t16-/m0/s1
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n/an/an/an/a 1.35E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171898
PNG
((S)-3-Phenyl-2-(4-trifluoromethyl-phenoxy)-propion...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
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/a 1.60E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171901
PNG
((R)-2-(Naphthalen-2-yloxy)-pentanoic acid | CHEMBL...)
Show SMILES CCC[C@@H](Oc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C15H16O3/c1-2-5-14(15(16)17)18-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14H,2,5H2,1H3,(H,16,17)/t14-/m1/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171900
PNG
((S)-3-Phenyl-2-(4-thiophen-2-yl-phenoxy)-propionic...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C19H16O3S/c20-19(21)17(13-14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)18-7-4-12-23-18/h1-12,17H,13H2,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171895
PNG
((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...)
Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
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 40n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171896
PNG
((S)-2-(4-Hydroxymethyl-phenoxy)-3-phenyl-propionic...)
Show SMILES OCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C16H16O4/c17-11-13-6-8-14(9-7-13)20-15(16(18)19)10-12-4-2-1-3-5-12/h1-9,15,17H,10-11H2,(H,18,19)/t15-/m0/s1
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n/an/an/an/a 2.87E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171895
PNG
((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...)
Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171907
PNG
((R)-2-(4-Chloro-phenoxy)-3-phenyl-propionic acid |...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1
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-/m1/s1
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n/an/an/an/a 1.05E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171903
PNG
((S)-2-(Naphthalen-2-yloxy)-3-phenyl-propionic acid...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc2ccccc2c1
Show InChI InChI=1S/C19H16O3/c20-19(21)18(12-14-6-2-1-3-7-14)22-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,20,21)/t18-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171906
PNG
((R)-2-(4'-Chloro-biphenyl-4-ylmethoxy)-pentanoic a...)
Show SMILES CCC[C@@H](OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/m1/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50171899
PNG
((S)-2-(4'-Chloro-biphenyl-4-ylmethoxy)-pentanoic a...)
Show SMILES CCC[C@H](OCc1ccc(cc1)-c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C18H19ClO3/c1-2-3-17(18(20)21)22-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h4-11,17H,2-3,12H2,1H3,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 8.90E+3n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARgamma expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28699
PNG
(2-(4-chlorophenoxy)-2-methylpropanoic acid | CHEMB...)
Show SMILES CC(C)(Oc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
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n/an/an/an/a 42n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50171907
PNG
((R)-2-(4-Chloro-phenoxy)-3-phenyl-propionic acid |...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1
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-/m1/s1
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n/an/an/an/a 1.09E+4n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against human PPARalpha expressed in HepG2 cells


J Med Chem 48: 5509-19 (2005)


Article DOI: 10.1021/jm0502844
BindingDB Entry DOI: 10.7270/Q2PV6JXF
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50214884
PNG
(2-(3-(((6-fluorobenzo[d]oxazol-2-yl)(3-phenoxyprop...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccc(F)cc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C27H27FN2O5/c1-2-24(26(31)32)34-22-11-6-8-19(16-22)18-30(14-7-15-33-21-9-4-3-5-10-21)27-29-23-13-12-20(28)17-25(23)35-27/h3-6,8-13,16-17,24H,2,7,14-15,18H2,1H3,(H,31,32)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214885
PNG
(2-(3-((benzo[d]oxazol-2-yl(2-phenoxyethyl)amino)me...)
Show SMILES CC(C)(Oc1cccc(CN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C26H26N2O5/c1-26(2,24(29)30)33-21-12-8-9-19(17-21)18-28(15-16-31-20-10-4-3-5-11-20)25-27-22-13-6-7-14-23(22)32-25/h3-14,17H,15-16,18H2,1-2H3,(H,29,30)
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n/an/an/an/a 630n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214887
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(4-fluorophenoxy)prop...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(F)cc2)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C27H27FN2O5/c1-2-24(26(31)32)34-22-8-5-7-19(17-22)18-30(27-29-23-9-3-4-10-25(23)35-27)15-6-16-33-21-13-11-20(28)12-14-21/h3-5,7-14,17,24H,2,6,15-16,18H2,1H3,(H,31,32)
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n/an/an/an/a 8n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50214886
PNG
(2-(3-(((5-methylbenzo[d]oxazol-2-yl)(3-phenoxyprop...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3cc(C)ccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H30N2O5/c1-3-25(27(31)32)34-23-12-7-9-21(18-23)19-30(15-8-16-33-22-10-5-4-6-11-22)28-29-24-17-20(2)13-14-26(24)35-28/h4-7,9-14,17-18,25H,3,8,15-16,19H2,1-2H3,(H,31,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50214888
PNG
(2-(3-(((4-hydroxybenzo[d]oxazol-2-yl)(3-phenoxypro...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3c(O)cccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C27H28N2O6/c1-2-23(26(31)32)34-21-12-6-9-19(17-21)18-29(15-8-16-33-20-10-4-3-5-11-20)27-28-25-22(30)13-7-14-24(25)35-27/h3-7,9-14,17,23,30H,2,8,15-16,18H2,1H3,(H,31,32)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214889
PNG
(2-(3-(2-(benzo[d]oxazol-2-yl(3-phenoxypropyl)amino...)
Show SMILES CC(Oc1cccc(CCN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(O)=O |w:1.0|
Show InChI InChI=1S/C27H28N2O5/c1-20(26(30)31)33-23-12-7-9-21(19-23)15-17-29(16-8-18-32-22-10-3-2-4-11-22)27-28-24-13-5-6-14-25(24)34-27/h2-7,9-14,19-20H,8,15-18H2,1H3,(H,30,31)
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n/an/an/an/a 10n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214892
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(2,4-difluorophenoxy)...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(F)cc2F)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C27H26F2N2O5/c1-2-23(26(32)33)35-20-8-5-7-18(15-20)17-31(27-30-22-9-3-4-10-25(22)36-27)13-6-14-34-24-12-11-19(28)16-21(24)29/h3-5,7-12,15-16,23H,2,6,13-14,17H2,1H3,(H,32,33)
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n/an/an/an/a 11n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214890
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-fluorophenoxy)...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(F)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C27H27FN2O5/c1-2-24(26(31)32)34-22-8-5-7-19(17-22)18-30(27-29-23-9-3-4-10-25(23)35-27)15-6-16-33-21-13-11-20(28)12-14-21/h3-5,7-14,17,24H,2,6,15-16,18H2,1H3,(H,31,32)/t24-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50214893
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(p-tolyloxy)propyl)am...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(C)cc2)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H30N2O5/c1-3-25(27(31)32)34-23-9-6-8-21(18-23)19-30(28-29-24-10-4-5-11-26(24)35-28)16-7-17-33-22-14-12-20(2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)
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n/an/an/an/a 210n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARgamma by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50214891
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(3,4-dimethylphenoxy)...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(C)c(C)c2)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C29H32N2O5/c1-4-26(28(32)33)35-24-10-7-9-22(18-24)19-31(29-30-25-11-5-6-12-27(25)36-29)15-8-16-34-23-14-13-20(2)21(3)17-23/h5-7,9-14,17-18,26H,4,8,15-16,19H2,1-3H3,(H,32,33)
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n/an/an/an/a 830n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARdelta by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214894
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-phenoxypropyl)amino)m...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccccc2)c2nc3ccccc3o2)c1)C(O)=O |w:2.2|
Show InChI InChI=1S/C27H28N2O5/c1-2-24(26(30)31)33-22-13-8-10-20(18-22)19-29(16-9-17-32-21-11-4-3-5-12-21)27-28-23-14-6-7-15-25(23)34-27/h3-8,10-15,18,24H,2,9,16-17,19H2,1H3,(H,30,31)
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n/an/an/an/a 9n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
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