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PubMed code 16979341

Compile data set for download or QSAR
Found 59 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))
BDBM50195074
PNG
(2-((5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-5-3-6-19(13-17)29-2)9-12-30-20-8-7-18(25-15-20)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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PubMed
20n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195084
PNG
(2-((5-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1cccc(C)c1
Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-18(13-16)22-26-21(17(2)31-22)9-12-29-20-8-7-19(25-15-20)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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43n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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43n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195087
PNG
(2-ethoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-3-27-20(22(25)26)13-17-9-10-18(14-23-17)28-12-11-19-15(2)29-21(24-19)16-7-5-4-6-8-16/h4-10,14,20H,3,11-13H2,1-2H3,(H,25,26)
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73n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195082
PNG
(2-((5-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-4-7-19(29-2)8-5-17)10-13-30-20-9-6-18(25-15-20)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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93n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195080
PNG
(2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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150n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195078
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyra...)
Show SMILES Cc1oc(nc1CCOc1cnc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-20(30-15)16-6-3-2-4-7-16)8-11-28-19-14-23-17(13-24-19)12-22(21(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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160n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195086
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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210n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195080
PNG
(2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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300n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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340n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195076
PNG
(2-methoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-14-18(23-20(28-14)15-6-4-3-5-7-15)10-11-27-17-9-8-16(22-13-17)12-19(26-2)21(24)25/h3-9,13,19H,10-12H2,1-2H3,(H,24,25)
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348n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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440n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195075
PNG
(2-ethoxy-3-(5-(3-(5-methyl-2-phenyloxazol-4-yl)pro...)
Show SMILES CCOC(Cc1ccc(OCCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-3-28-21(23(26)27)14-18-11-12-19(15-24-18)29-13-7-10-20-16(2)30-22(25-20)17-8-5-4-6-9-17/h4-6,8-9,11-12,15,21H,3,7,10,13-14H2,1-2H3,(H,26,27)
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840n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195082
PNG
(2-((5-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-4-7-19(29-2)8-5-17)10-13-30-20-9-6-18(25-15-20)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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840n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195084
PNG
(2-((5-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1cccc(C)c1
Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-18(13-16)22-26-21(17(2)31-22)9-12-29-20-8-7-19(25-15-20)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195075
PNG
(2-ethoxy-3-(5-(3-(5-methyl-2-phenyloxazol-4-yl)pro...)
Show SMILES CCOC(Cc1ccc(OCCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-3-28-21(23(26)27)14-18-11-12-19(15-24-18)29-13-7-10-20-16(2)30-22(25-20)17-8-5-4-6-9-17/h4-6,8-9,11-12,15,21H,3,7,10,13-14H2,1-2H3,(H,26,27)
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195081
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c1-17-21(26-22(31-17)18-7-3-2-4-8-18)11-14-29-20-10-9-19(25-16-20)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
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1.10E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195074
PNG
(2-((5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-5-3-6-19(13-17)29-2)9-12-30-20-8-7-18(25-15-20)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195086
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195077
PNG
(2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazo...)
Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195081
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c1-17-21(26-22(31-17)18-7-3-2-4-8-18)11-14-29-20-10-9-19(25-16-20)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
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1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195087
PNG
(2-ethoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-3-27-20(22(25)26)13-17-9-10-18(14-23-17)28-12-11-19-15(2)29-21(24-19)16-7-5-4-6-8-16/h4-10,14,20H,3,11-13H2,1-2H3,(H,25,26)
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2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195085
PNG
(2-((2-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ncc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-19(30-15)17-6-3-2-4-7-17)8-11-28-21-23-13-16(14-24-21)12-22(20(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195078
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyra...)
Show SMILES Cc1oc(nc1CCOc1cnc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-20(30-15)16-6-3-2-4-7-16)8-11-28-19-14-23-17(13-24-19)12-22(21(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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3.49E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195076
PNG
(2-methoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-14-18(23-20(28-14)15-6-4-3-5-7-15)10-11-27-17-9-8-16(22-13-17)12-19(26-2)21(24)25/h3-9,13,19H,10-12H2,1-2H3,(H,24,25)
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3.70E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195077
PNG
(2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazo...)
Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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4.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195085
PNG
(2-((2-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ncc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-19(30-15)17-6-3-2-4-7-17)8-11-28-21-23-13-16(14-24-21)12-22(20(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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7.30E+3n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195083
PNG
((R)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m1/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195083
PNG
((R)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m1/s1
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4.10E+4n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195082
PNG
(2-((5-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-4-7-19(29-2)8-5-17)10-13-30-20-9-6-18(25-15-20)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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n/an/an/an/a 105n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195087
PNG
(2-ethoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-3-27-20(22(25)26)13-17-9-10-18(14-23-17)28-12-11-19-15(2)29-21(24-19)16-7-5-4-6-8-16/h4-10,14,20H,3,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 129n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195076
PNG
(2-methoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-14-18(23-20(28-14)15-6-4-3-5-7-15)10-11-27-17-9-8-16(22-13-17)12-19(26-2)21(24)25/h3-9,13,19H,10-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 280n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195080
PNG
(2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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n/an/an/an/a 130n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195074
PNG
(2-((5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-5-3-6-19(13-17)29-2)9-12-30-20-8-7-18(25-15-20)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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n/an/an/an/a 5n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195075
PNG
(2-ethoxy-3-(5-(3-(5-methyl-2-phenyloxazol-4-yl)pro...)
Show SMILES CCOC(Cc1ccc(OCCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-3-28-21(23(26)27)14-18-11-12-19(15-24-18)29-13-7-10-20-16(2)30-22(25-20)17-8-5-4-6-9-17/h4-6,8-9,11-12,15,21H,3,7,10,13-14H2,1-2H3,(H,26,27)
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n/an/an/an/a 886n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195074
PNG
(2-((5-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-5-3-6-19(13-17)29-2)9-12-30-20-8-7-18(25-15-20)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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n/an/an/an/a 1.57E+3n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195084
PNG
(2-((5-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1cccc(C)c1
Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-18(13-16)22-26-21(17(2)31-22)9-12-29-20-8-7-19(25-15-20)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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n/an/an/an/a 867n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195075
PNG
(2-ethoxy-3-(5-(3-(5-methyl-2-phenyloxazol-4-yl)pro...)
Show SMILES CCOC(Cc1ccc(OCCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C23H26N2O5/c1-3-28-21(23(26)27)14-18-11-12-19(15-24-18)29-13-7-10-20-16(2)30-22(25-20)17-8-5-4-6-9-17/h4-6,8-9,11-12,15,21H,3,7,10,13-14H2,1-2H3,(H,26,27)
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n/an/an/an/a 887n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195086
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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n/an/an/an/a 226n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195084
PNG
(2-((5-(2-(5-methyl-2-m-tolyloxazol-4-yl)ethoxy)pyr...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1cccc(C)c1
Show InChI InChI=1S/C24H26N2O5/c1-16-5-3-6-18(13-16)22-26-21(17(2)31-22)9-12-29-20-8-7-19(25-15-20)14-24(23(27)28)10-4-11-30-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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n/an/an/an/a 12n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195085
PNG
(2-((2-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ncc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-19(30-15)17-6-3-2-4-7-17)8-11-28-21-23-13-16(14-24-21)12-22(20(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195076
PNG
(2-methoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C21H22N2O5/c1-14-18(23-20(28-14)15-6-4-3-5-7-15)10-11-27-17-9-8-16(22-13-17)12-19(26-2)21(24)25/h3-9,13,19H,10-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 3.14E+3n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
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>1.00E+4n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195081
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c1-17-21(26-22(31-17)18-7-3-2-4-8-18)11-14-29-20-10-9-19(25-16-20)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 158n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195083
PNG
((R)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195078
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyra...)
Show SMILES Cc1oc(nc1CCOc1cnc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-20(30-15)16-6-3-2-4-7-16)8-11-28-19-14-23-17(13-24-19)12-22(21(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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n/an/an/an/a 156n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195077
PNG
(2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazo...)
Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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n/an/an/an/a 335n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195080
PNG
(2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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n/an/an/an/a 48n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195085
PNG
(2-((2-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ncc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-19(30-15)17-6-3-2-4-7-17)8-11-28-21-23-13-16(14-24-21)12-22(20(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195081
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C24H26N2O5/c1-17-21(26-22(31-17)18-7-3-2-4-8-18)11-14-29-20-10-9-19(25-16-20)15-24(23(27)28)12-5-6-13-30-24/h2-4,7-10,16H,5-6,11-15H2,1H3,(H,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195083
PNG
((R)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195077
PNG
(2-methoxy-2-methyl-3-(5-(2-(5-methyl-2-phenyloxazo...)
Show SMILES COC(C)(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-15-19(24-20(29-15)16-7-5-4-6-8-16)11-12-28-18-10-9-17(23-14-18)13-22(2,27-3)21(25)26/h4-10,14H,11-13H2,1-3H3,(H,25,26)
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n/an/an/an/a 882n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195078
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyra...)
Show SMILES Cc1oc(nc1CCOc1cnc(CC2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O5/c1-15-18(25-20(30-15)16-6-3-2-4-7-16)8-11-28-19-14-23-17(13-24-19)12-22(21(26)27)9-5-10-29-22/h2-4,6-7,13-14H,5,8-12H2,1H3,(H,26,27)
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n/an/an/an/a 1.89E+3n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50195086
PNG
(2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)pyri...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)
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n/an/an/an/a 41n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR gamma in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195087
PNG
(2-ethoxy-3-(5-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cn1)C(O)=O
Show InChI InChI=1S/C22H24N2O5/c1-3-27-20(22(25)26)13-17-9-10-18(14-23-17)28-12-11-19-15(2)29-21(24-19)16-7-5-4-6-8-16/h4-10,14,20H,3,11-13H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.23E+3n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195082
PNG
(2-((5-(2-(2-(4-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1ccc(cc1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)nc2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-21(26-22(32-16)17-4-7-19(29-2)8-5-17)10-13-30-20-9-6-18(25-15-20)14-24(23(27)28)11-3-12-31-24/h4-9,15H,3,10-14H2,1-2H3,(H,27,28)
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n/an/an/an/a 437n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50195079
PNG
((S)-2-((5-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)nc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-20(25-21(30-16)17-6-3-2-4-7-17)10-13-28-19-9-8-18(24-15-19)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Agonist activity at human PPAR alpha in HepG2 cells by PPAR-GAL4 transactivation assay


Bioorg Med Chem Lett 16: 6116-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.105
BindingDB Entry DOI: 10.7270/Q2H131P4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%