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Compile Data Set for Download or QSAR

Found 112 hits Enz. Inhib. hit(s) with all data for entry = 50017894   
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))
BDBM50188023
PNG
(2-ethoxy-3-(1-((2-(4-isopropylphenyl)-5-methyloxaz...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(C)C)ccc2c1)C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-5-32-25(27(30)31)15-19-6-11-24-22(14-19)12-13-29(24)16-23-18(4)33-26(28-23)21-9-7-20(8-10-21)17(2)3/h6-14,17,25H,5,15-16H2,1-4H3,(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188024
PNG
(3-(1-((2-(4-tert-butylphenyl)-5-methyloxazol-4-yl)...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(C)(C)C)ccc2c1)C(O)=O
Show InChI InChI=1S/C28H32N2O4/c1-6-33-25(27(31)32)16-19-7-12-24-21(15-19)13-14-30(24)17-23-18(2)34-26(29-23)20-8-10-22(11-9-20)28(3,4)5/h7-15,25H,6,16-17H2,1-5H3,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188035
PNG
(3-(1-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cccc(Cl)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)12-16-7-8-21-17(11-16)9-10-27(21)14-20-15(2)31-23(26-20)18-5-4-6-19(25)13-18/h4-11,13,22H,3,12,14H2,1-2H3,(H,28,29)
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n/an/a 24n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188025
PNG
(3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-5-33-24(26(29)30)11-17-6-7-23-18(10-17)8-9-28(23)15-22-16(2)34-25(27-22)19-12-20(31-3)14-21(13-19)32-4/h6-10,12-14,24H,5,11,15H2,1-4H3,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188022
PNG
(2-ethoxy-3-(1-((2-(4-ethylphenyl)-5-methyloxazol-4...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(CC)cc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O4/c1-4-18-6-9-20(10-7-18)25-27-22(17(3)32-25)16-28-13-12-21-14-19(8-11-23(21)28)15-24(26(29)30)31-5-2/h6-14,24H,4-5,15-16H2,1-3H3,(H,29,30)
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n/an/a 27n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188038
PNG
(3-(1-((2-(3,5-dimethylphenyl)-5-methyloxazol-4-yl)...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(C)cc(C)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O4/c1-5-31-24(26(29)30)14-19-6-7-23-20(13-19)8-9-28(23)15-22-18(4)32-25(27-22)21-11-16(2)10-17(3)12-21/h6-13,24H,5,14-15H2,1-4H3,(H,29,30)
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n/an/a 38n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188032
PNG
(3-(1-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxazo...)
Show SMILES CCCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-3-12-34-23(25(32)33)14-17-4-9-22-19(13-17)10-11-31(22)15-21-16(2)35-24(30-21)18-5-7-20(8-6-18)26(27,28)29/h4-11,13,23H,3,12,14-15H2,1-2H3,(H,32,33)
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n/an/a 40n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188039
PNG
(2-isopropoxy-3-(1-((5-methyl-2-(4-(trifluoromethyl...)
Show SMILES CC(C)OC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-15(2)34-23(25(32)33)13-17-4-9-22-19(12-17)10-11-31(22)14-21-16(3)35-24(30-21)18-5-7-20(8-6-18)26(27,28)29/h4-12,15,23H,13-14H2,1-3H3,(H,32,33)
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n/an/a 61n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188021
PNG
(2-ethoxy-3-(1-((5-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H23F3N2O4/c1-3-33-22(24(31)32)13-16-4-9-21-18(12-16)10-11-30(21)14-20-15(2)34-23(29-20)17-5-7-19(8-6-17)25(26,27)28/h4-12,22H,3,13-14H2,1-2H3,(H,31,32)
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n/an/a 70n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188037
PNG
(3-(1-((2-(3,5-dichlorophenyl)-5-methyloxazol-4-yl)...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(Cl)cc(Cl)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H22Cl2N2O4/c1-3-31-22(24(29)30)9-15-4-5-21-16(8-15)6-7-28(21)13-20-14(2)32-23(27-20)17-10-18(25)12-19(26)11-17/h4-8,10-12,22H,3,9,13H2,1-2H3,(H,29,30)
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n/an/a 71n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188029
PNG
(3-(1-((2-(2-chlorophenyl)-5-methyloxazol-4-yl)meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3Cl)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
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n/an/a 73n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188023
PNG
(2-ethoxy-3-(1-((2-(4-isopropylphenyl)-5-methyloxaz...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(C)C)ccc2c1)C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-5-32-25(27(30)31)15-19-6-11-24-22(14-19)12-13-29(24)16-23-18(4)33-26(28-23)21-9-7-20(8-10-21)17(2)3/h6-14,17,25H,5,15-16H2,1-4H3,(H,30,31)
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n/an/a 117n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188026
PNG
(2-ethoxy-3-(1-((2-(4-fluorophenyl)-5-methyloxazol-...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(F)cc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23FN2O4/c1-3-30-22(24(28)29)13-16-4-9-21-18(12-16)10-11-27(21)14-20-15(2)31-23(26-20)17-5-7-19(25)8-6-17/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
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n/an/a 121n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188028
PNG
(2-ethoxy-3-(1-((5-methyl-2-o-tolyloxazol-4-yl)meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3C)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26N2O4/c1-4-30-23(25(28)29)14-18-9-10-22-19(13-18)11-12-27(22)15-21-17(3)31-24(26-21)20-8-6-5-7-16(20)2/h5-13,23H,4,14-15H2,1-3H3,(H,28,29)
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n/an/a 125n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188040
PNG
(2-ethoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)methy...)
Show SMILES CCOC(Cc1cccc2n(Cc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-18-10-7-11-21-19(18)12-13-26(21)15-20-16(2)30-23(25-20)17-8-5-4-6-9-17/h4-13,22H,3,14-15H2,1-2H3,(H,27,28)
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n/an/a 125n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188031
PNG
(2-ethoxy-3-(1-((2-(4-fluoro-3-methylphenyl)-5-meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(F)c(C)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H25FN2O4/c1-4-31-23(25(29)30)13-17-5-8-22-18(12-17)9-10-28(22)14-21-16(3)32-24(27-21)19-6-7-20(26)15(2)11-19/h5-12,23H,4,13-14H2,1-3H3,(H,29,30)
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n/an/a 135n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188039
PNG
(2-isopropoxy-3-(1-((5-methyl-2-(4-(trifluoromethyl...)
Show SMILES CC(C)OC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-15(2)34-23(25(32)33)13-17-4-9-22-19(12-17)10-11-31(22)14-21-16(3)35-24(30-21)18-5-7-20(8-6-18)26(27,28)29/h4-12,15,23H,13-14H2,1-3H3,(H,32,33)
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n/an/a 139n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188031
PNG
(2-ethoxy-3-(1-((2-(4-fluoro-3-methylphenyl)-5-meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(F)c(C)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H25FN2O4/c1-4-31-23(25(29)30)13-17-5-8-22-18(12-17)9-10-28(22)14-21-16(3)32-24(27-21)19-6-7-20(26)15(2)11-19/h5-12,23H,4,13-14H2,1-3H3,(H,29,30)
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n/an/a 149n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188022
PNG
(2-ethoxy-3-(1-((2-(4-ethylphenyl)-5-methyloxazol-4...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(CC)cc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O4/c1-4-18-6-9-20(10-7-18)25-27-22(17(3)32-25)16-28-13-12-21-14-19(8-11-23(21)28)15-24(26(29)30)31-5-2/h6-14,24H,4-5,15-16H2,1-3H3,(H,29,30)
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n/an/a 166n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188024
PNG
(3-(1-((2-(4-tert-butylphenyl)-5-methyloxazol-4-yl)...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(C)(C)C)ccc2c1)C(O)=O
Show InChI InChI=1S/C28H32N2O4/c1-6-33-25(27(31)32)16-19-7-12-24-21(15-19)13-14-30(24)17-23-18(2)34-26(29-23)20-8-10-22(11-9-20)28(3,4)5/h7-15,25H,6,16-17H2,1-5H3,(H,31,32)
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n/an/a 173n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188020
PNG
(2-ethoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)methy...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-17-9-10-21-19(13-17)11-12-26(21)15-20-16(2)30-23(25-20)18-7-5-4-6-8-18/h4-13,22H,3,14-15H2,1-2H3,(H,27,28)
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n/an/a 178n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188019
PNG
(2-ethoxy-3-(1-((2-(2-methoxyphenyl)-5-methyloxazol...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3OC)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26N2O5/c1-4-31-23(25(28)29)14-17-9-10-21-18(13-17)11-12-27(21)15-20-16(2)32-24(26-20)19-7-5-6-8-22(19)30-3/h5-13,23H,4,14-15H2,1-3H3,(H,28,29)
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n/an/a 181n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188038
PNG
(3-(1-((2-(3,5-dimethylphenyl)-5-methyloxazol-4-yl)...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(C)cc(C)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O4/c1-5-31-24(26(29)30)14-19-6-7-23-20(13-19)8-9-28(23)15-22-18(4)32-25(27-22)21-11-16(2)10-17(3)12-21/h6-13,24H,5,14-15H2,1-4H3,(H,29,30)
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n/an/a 181n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188036
PNG
(2-ethoxy-3-(1-((2-(2-fluorophenyl)-5-methyloxazol-...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3F)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23FN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188041
PNG
(2-ethoxy-3-(1-((2-(2-isopropoxyphenyl)-5-methyloxa...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3OC(C)C)ccc2c1)C(O)=O
Show InChI InChI=1S/C27H30N2O5/c1-5-32-25(27(30)31)15-19-10-11-23-20(14-19)12-13-29(23)16-22-18(4)34-26(28-22)21-8-6-7-9-24(21)33-17(2)3/h6-14,17,25H,5,15-16H2,1-4H3,(H,30,31)
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n/an/a 209n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188034
PNG
(2-ethoxy-3-(3-methyl-1-((5-methyl-2-(4-(trifluorom...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)cc(C)c2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-4-34-23(25(32)33)12-17-5-10-22-20(11-17)15(2)13-31(22)14-21-16(3)35-24(30-21)18-6-8-19(9-7-18)26(27,28)29/h5-11,13,23H,4,12,14H2,1-3H3,(H,32,33)
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n/an/a 218n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188034
PNG
(2-ethoxy-3-(3-methyl-1-((5-methyl-2-(4-(trifluorom...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)cc(C)c2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-4-34-23(25(32)33)12-17-5-10-22-20(11-17)15(2)13-31(22)14-21-16(3)35-24(30-21)18-6-8-19(9-7-18)26(27,28)29/h5-11,13,23H,4,12,14H2,1-3H3,(H,32,33)
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n/an/a 223n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188029
PNG
(3-(1-((2-(2-chlorophenyl)-5-methyloxazol-4-yl)meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3Cl)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
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n/an/a 251n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188025
PNG
(3-(1-((2-(3,5-dimethoxyphenyl)-5-methyloxazol-4-yl...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(OC)cc(OC)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H28N2O6/c1-5-33-24(26(29)30)11-17-6-7-23-18(10-17)8-9-28(23)15-22-16(2)34-25(27-22)19-12-20(31-3)14-21(13-19)32-4/h6-10,12-14,24H,5,11,15H2,1-4H3,(H,29,30)
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n/an/a 253n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50188032
PNG
(3-(1-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxazo...)
Show SMILES CCCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-3-12-34-23(25(32)33)14-17-4-9-22-19(13-17)10-11-31(22)15-21-16(2)35-24(30-21)18-5-7-20(8-6-18)26(27,28)29/h4-11,13,23H,3,12,14-15H2,1-2H3,(H,32,33)
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n/an/a 259n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188027
PNG
(2-ethoxy-3-(1-(3-(5-methyl-2-phenyloxazol-4-yl)pro...)
Show SMILES CCOC(Cc1cccc2n(CCCc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C26H28N2O4/c1-3-31-24(26(29)30)17-20-11-7-13-23-21(20)14-16-28(23)15-8-12-22-18(2)32-25(27-22)19-9-5-4-6-10-19/h4-7,9-11,13-14,16,24H,3,8,12,15,17H2,1-2H3,(H,29,30)
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n/an/a 274n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188028
PNG
(2-ethoxy-3-(1-((5-methyl-2-o-tolyloxazol-4-yl)meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3C)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26N2O4/c1-4-30-23(25(28)29)14-18-9-10-22-19(13-18)11-12-27(22)15-21-17(3)31-24(26-21)20-8-6-5-7-16(20)2/h5-13,23H,4,14-15H2,1-3H3,(H,28,29)
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n/an/a 316n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188030
PNG
(2-methoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)meth...)
Show SMILES COC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C23H22N2O4/c1-15-19(24-22(29-15)17-6-4-3-5-7-17)14-25-11-10-18-12-16(8-9-20(18)25)13-21(28-2)23(26)27/h3-12,21H,13-14H2,1-2H3,(H,26,27)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188021
PNG
(2-ethoxy-3-(1-((5-methyl-2-(4-(trifluoromethyl)phe...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H23F3N2O4/c1-3-33-22(24(31)32)13-16-4-9-21-18(12-16)10-11-30(21)14-20-15(2)34-23(29-20)17-5-7-19(8-6-17)25(26,27)28/h4-12,22H,3,13-14H2,1-2H3,(H,31,32)
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n/an/a 321n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188033
PNG
(2-ethoxy-3-(2-methyl-1-((5-methyl-2-(4-(trifluorom...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)c(C)cc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-4-34-23(25(32)33)13-17-5-10-22-19(12-17)11-15(2)31(22)14-21-16(3)35-24(30-21)18-6-8-20(9-7-18)26(27,28)29/h5-12,23H,4,13-14H2,1-3H3,(H,32,33)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188030
PNG
(2-methoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)meth...)
Show SMILES COC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C23H22N2O4/c1-15-19(24-22(29-15)17-6-4-3-5-7-17)14-25-11-10-18-12-16(8-9-20(18)25)13-21(28-2)23(26)27/h3-12,21H,13-14H2,1-2H3,(H,26,27)
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n/an/a 363n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188020
PNG
(2-ethoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)methy...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-17-9-10-21-19(13-17)11-12-26(21)15-20-16(2)30-23(25-20)18-7-5-4-6-8-18/h4-13,22H,3,14-15H2,1-2H3,(H,27,28)
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n/an/a 368n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50188033
PNG
(2-ethoxy-3-(2-methyl-1-((5-methyl-2-(4-(trifluorom...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)c(C)cc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-4-34-23(25(32)33)13-17-5-10-22-19(12-17)11-15(2)31(22)14-21-16(3)35-24(30-21)18-6-8-20(9-7-18)26(27,28)29/h5-12,23H,4,13-14H2,1-3H3,(H,32,33)
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n/an/a 372n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188026
PNG
(2-ethoxy-3-(1-((2-(4-fluorophenyl)-5-methyloxazol-...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(F)cc3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23FN2O4/c1-3-30-22(24(28)29)13-16-4-9-21-18(12-16)10-11-27(21)14-20-15(2)31-23(26-20)17-5-7-19(25)8-6-17/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
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n/an/a 377n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188035
PNG
(3-(1-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)meth...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cccc(Cl)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23ClN2O4/c1-3-30-22(24(28)29)12-16-7-8-21-17(11-16)9-10-27(21)14-20-15(2)31-23(26-20)18-5-4-6-19(25)13-18/h4-11,13,22H,3,12,14H2,1-2H3,(H,28,29)
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n/an/a 396n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188032
PNG
(3-(1-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxazo...)
Show SMILES CCCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-3-12-34-23(25(32)33)14-17-4-9-22-19(13-17)10-11-31(22)15-21-16(2)35-24(30-21)18-5-7-20(8-6-18)26(27,28)29/h4-11,13,23H,3,12,14-15H2,1-2H3,(H,32,33)
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n/an/a 399n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188037
PNG
(3-(1-((2-(3,5-dichlorophenyl)-5-methyloxazol-4-yl)...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3cc(Cl)cc(Cl)c3)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H22Cl2N2O4/c1-3-31-22(24(29)30)9-15-4-5-21-16(8-15)6-7-28(21)13-20-14(2)32-23(27-20)17-10-18(25)12-19(26)11-17/h4-8,10-12,22H,3,9,13H2,1-2H3,(H,29,30)
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n/an/a 419n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188036
PNG
(2-ethoxy-3-(1-((2-(2-fluorophenyl)-5-methyloxazol-...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3F)ccc2c1)C(O)=O
Show InChI InChI=1S/C24H23FN2O4/c1-3-30-22(24(28)29)13-16-8-9-21-17(12-16)10-11-27(21)14-20-15(2)31-23(26-20)18-6-4-5-7-19(18)25/h4-12,22H,3,13-14H2,1-2H3,(H,28,29)
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n/an/a 735n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188019
PNG
(2-ethoxy-3-(1-((2-(2-methoxyphenyl)-5-methyloxazol...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3OC)ccc2c1)C(O)=O
Show InChI InChI=1S/C25H26N2O5/c1-4-31-23(25(28)29)14-17-9-10-21-18(13-17)11-12-27(21)15-20-16(2)32-24(26-20)19-7-5-6-8-22(19)30-3/h5-13,23H,4,14-15H2,1-3H3,(H,28,29)
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n/an/a 742n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50188027
PNG
(2-ethoxy-3-(1-(3-(5-methyl-2-phenyloxazol-4-yl)pro...)
Show SMILES CCOC(Cc1cccc2n(CCCc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C26H28N2O4/c1-3-31-24(26(29)30)17-20-11-7-13-23-21(20)14-16-28(23)15-8-12-22-18(2)32-25(27-22)19-9-5-4-6-10-19/h4-7,9-11,13-14,16,24H,3,8,12,15,17H2,1-2H3,(H,29,30)
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n/an/a 756n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARalpha by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50188039
PNG
(2-isopropoxy-3-(1-((5-methyl-2-(4-(trifluoromethyl...)
Show SMILES CC(C)OC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-15(2)34-23(25(32)33)13-17-4-9-22-19(12-17)10-11-31(22)14-21-16(3)35-24(30-21)18-5-7-20(8-6-18)26(27,28)29/h4-12,15,23H,13-14H2,1-3H3,(H,32,33)
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n/an/a 892n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188040
PNG
(2-ethoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)methy...)
Show SMILES CCOC(Cc1cccc2n(Cc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-18-10-7-11-21-19(18)12-13-26(21)15-20-16(2)30-23(25-20)17-8-5-4-6-9-17/h4-13,22H,3,14-15H2,1-2H3,(H,27,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50188040
PNG
(2-ethoxy-3-(1-((5-methyl-2-phenyloxazol-4-yl)methy...)
Show SMILES CCOC(Cc1cccc2n(Cc3nc(oc3C)-c3ccccc3)ccc12)C(O)=O
Show InChI InChI=1S/C24H24N2O4/c1-3-29-22(24(27)28)14-18-10-7-11-21-19(18)12-13-26(21)15-20-16(2)30-23(25-20)17-8-5-4-6-9-17/h4-13,22H,3,14-15H2,1-2H3,(H,27,28)
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n/an/a 3.50E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARdelta by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188041
PNG
(2-ethoxy-3-(1-((2-(2-isopropoxyphenyl)-5-methyloxa...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccccc3OC(C)C)ccc2c1)C(O)=O
Show InChI InChI=1S/C27H30N2O5/c1-5-32-25(27(30)31)15-19-10-11-23-20(14-19)12-13-29(23)16-22-18(4)34-26(28-22)21-8-6-7-9-24(21)33-17(2)3/h6-14,17,25H,5,15-16H2,1-4H3,(H,30,31)
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n/an/a 5.40E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50188033
PNG
(2-ethoxy-3-(2-methyl-1-((5-methyl-2-(4-(trifluorom...)
Show SMILES CCOC(Cc1ccc2n(Cc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)c(C)cc2c1)C(O)=O
Show InChI InChI=1S/C26H25F3N2O4/c1-4-34-23(25(32)33)13-17-5-10-22-19(12-17)11-15(2)31(22)14-21-16(3)35-24(30-21)18-6-8-20(9-7-18)26(27,28)29/h5-12,23H,4,13-14H2,1-3H3,(H,32,33)
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n/an/a 8.00E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma by radio ligand binding assay


Bioorg Med Chem Lett 16: 4016-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.007
BindingDB Entry DOI: 10.7270/Q2MS3SD5
More data for this
Ligand-Target Pair
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