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Compile Data Set for Download or QSAR

Found 62 hits of ph data with Target = 'Peroxisome proliferator-activated receptor'   
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


(Homo sapiens (human))
BDBM33292
PNG
(phenylpropanoic acid derivative, 17h | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2ccnn2)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c1-17-21(26-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-15-14-25-27-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)
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n/an/a 1.40E+4n/a>3.00E+4n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33290
PNG
(phenylpropanoic acid derivative, 17f)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@H](C(O)=O)n2cccn2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)21-8-3-2-4-9-21)10-5-7-19-11-13-20(14-12-19)17-23(25(29)30)28-16-6-15-26-28/h2-4,6,8-9,11-16,23H,5,7,10,17H2,1H3,(H,29,30)/t23-/m1/s1
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n/an/a 3.30E+4n/a>2.00E+4n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33296
PNG
(BMC164883 Compound 58 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO3/c1-20-26(29-27(32-20)24-12-6-3-7-13-24)14-8-9-21-15-17-22(18-16-21)19-25(28(30)31)23-10-4-2-5-11-23/h2-7,10-13,15-18,25H,8-9,14,19H2,1H3,(H,30,31)
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n/an/a 4.00E+3n/a 3.90E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33291
PNG
(phenylpropanoic acid derivative, 17g | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2cncn2)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)14-22(24(29)30)28-16-25-15-26-28/h2-4,7-8,10-13,15-16,22H,5-6,9,14H2,1H3,(H,29,30)
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n/an/a 1.80E+4n/a>3.00E+4n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33289
PNG
(phenylpropanoic acid derivative, 17e)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccn2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)21-8-3-2-4-9-21)10-5-7-19-11-13-20(14-12-19)17-23(25(29)30)28-16-6-15-26-28/h2-4,6,8-9,11-16,23H,5,7,10,17H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/a 145n/a 65n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33288
PNG
(phenylpropanoic acid derivative, 17d | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2cccn2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)21-8-3-2-4-9-21)10-5-7-19-11-13-20(14-12-19)17-23(25(29)30)28-16-6-15-26-28/h2-4,6,8-9,11-16,23H,5,7,10,17H2,1H3,(H,29,30)
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n/an/a 327n/a 228n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33295
PNG
(phenylpropanoic acid derivative, 17k)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@H](C(O)=O)n2nccn2)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m1/s1
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n/an/a>7.00E+4n/a>2.00E+4n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33294
PNG
(phenylpropanoic acid derivative, 17j)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2nccn2)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)/t22-/m0/s1
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n/an/a 3n/a 13n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33293
PNG
(phenylpropanoic acid derivative, 17i | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)n2nccn2)cc1)-c1ccccc1
Show InChI InChI=1S/C24H24N4O3/c1-17-21(27-23(31-17)20-7-3-2-4-8-20)9-5-6-18-10-12-19(13-11-18)16-22(24(29)30)28-25-14-15-26-28/h2-4,7-8,10-15,22H,5-6,9,16H2,1H3,(H,29,30)
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n/an/a 5n/a 15n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34017
PNG
(CHEMBL104850 | phenylpropanoic acid derivative, 7)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H24N2O4/c1-18-22(26-24(31-18)20-7-3-2-4-8-20)13-16-30-21-11-9-19(10-12-21)17-23(25(28)29)27-14-5-6-15-27/h2-12,14-15,23H,13,16-17H2,1H3,(H,28,29)/t23-/m0/s1
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n/an/a 29n/a 26n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34018
PNG
(phenylpropanoic acid derivative, 28)
Show SMILES Cc1oc(nc1CC#Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,11,18H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 293n/a 173n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34019
PNG
(phenylpropanoic acid derivative, 29 | racemic)
Show SMILES Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2cccnc2)cc1)-c1ccccc1
Show InChI InChI=1S/C27H22N2O3/c1-19-25(29-26(32-19)22-8-3-2-4-9-22)11-5-7-20-12-14-21(15-13-20)17-24(27(30)31)23-10-6-16-28-18-23/h2-4,6,8-10,12-16,18,24H,11,17H2,1H3,(H,30,31)
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n/an/a 2.60E+4n/a 4.50E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34020
PNG
(phenylpropanoic acid derivative, 30 | racemic)
Show SMILES Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2ccc(cc2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H27NO3/c1-24-32(35-33(38-24)30-12-6-3-7-13-30)14-8-9-25-15-17-26(18-16-25)23-31(34(36)37)29-21-19-28(20-22-29)27-10-4-2-5-11-27/h2-7,10-13,15-22,31H,14,23H2,1H3,(H,36,37)
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n/an/a 2.20E+3n/a 2.50E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34021
PNG
(phenylpropanoic acid derivative, 31 | racemic)
Show SMILES Cc1oc(nc1CC#Cc1ccc(CC(C(O)=O)c2cccc(c2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H27NO3/c1-24-32(35-33(38-24)28-13-6-3-7-14-28)17-8-10-25-18-20-26(21-19-25)22-31(34(36)37)30-16-9-15-29(23-30)27-11-4-2-5-12-27/h2-7,9,11-16,18-21,23,31H,17,22H2,1H3,(H,36,37)
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n/an/a 2.80E+3n/a 1.30E+4n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34022
PNG
(phenylpropanoic acid derivative, 32 | racemic)
Show SMILES CN(CC#Cc1ccc(CC(C(O)=O)n2cccc2)cc1)c1ccccn1
Show InChI InChI=1S/C22H21N3O2/c1-24(21-8-2-3-13-23-21)14-6-7-18-9-11-19(12-10-18)17-20(22(26)27)25-15-4-5-16-25/h2-5,8-13,15-16,20H,14,17H2,1H3,(H,26,27)
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n/an/a 5.30E+4n/a 9.00E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34023
PNG
(phenylpropanoic acid derivative, 33)
Show SMILES CN(CC#Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1
Show InChI InChI=1S/C23H22N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-6,9-14,16-17,22H,15,18H2,1H3,(H,26,27)/t22-/m0/s1
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n/an/a 1.20E+4n/a 2.00E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34024
PNG
(phenylpropanoic acid derivative, 36)
Show SMILES CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccn1
Show InChI InChI=1S/C22H23N3O2/c1-24(21-8-2-3-13-23-21)14-6-7-18-9-11-19(12-10-18)17-20(22(26)27)25-15-4-5-16-25/h2-13,15-16,20H,14,17H2,1H3,(H,26,27)/b7-6+/t20-/m0/s1
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n/an/a 1.20E+4n/a 492n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34025
PNG
(phenylpropanoic acid derivative, 40)
Show SMILES Cc1oc(nc1C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-10,12-17,24H,11,18H2,1H3,(H,29,30)/b8-7+/t24-/m0/s1
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n/an/a 255n/a 102n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34026
PNG
(phenylpropanoic acid derivative, 41)
Show SMILES Cc1oc(nc1C\C=C\c1ccc(C[C@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-10,12-17,24H,11,18H2,1H3,(H,29,30)/b8-7+/t24-/m1/s1
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n/an/a 2.60E+3n/a 2.60E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34027
PNG
(phenylpropanoic acid derivative, 44)
Show SMILES CN(C\C=C\c1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1
Show InChI InChI=1S/C23H24N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-14,16-17,22H,15,18H2,1H3,(H,26,27)/b8-7+/t22-/m0/s1
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n/an/a 2.00E+3n/a 3.70E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33284
PNG
(BMC164883 Compound 53 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/m0/s1
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Article
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n/an/a 185n/a 140n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34028
PNG
(phenylpropanoic acid derivative, 54)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/m1/s1
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n/an/a 3.10E+3n/a 2.30E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34029
PNG
(phenylpropanoic acid derivative, 55 | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2cccnc2)cc1)-c1ccccc1
Show InChI InChI=1S/C27H26N2O3/c1-19-25(29-26(32-19)22-8-3-2-4-9-22)11-5-7-20-12-14-21(15-13-20)17-24(27(30)31)23-10-6-16-28-18-23/h2-4,6,8-10,12-16,18,24H,5,7,11,17H2,1H3,(H,30,31)
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n/an/a 2.20E+4n/a 3.90E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34030
PNG
(phenylpropanoic acid derivative, 56 | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccc(cc2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H31NO3/c1-24-32(35-33(38-24)30-12-6-3-7-13-30)14-8-9-25-15-17-26(18-16-25)23-31(34(36)37)29-21-19-28(20-22-29)27-10-4-2-5-11-27/h2-7,10-13,15-22,31H,8-9,14,23H2,1H3,(H,36,37)
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n/an/a 587n/a 1.80E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34031
PNG
(phenylpropanoic acid derivative, 57 | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2cccc(c2)-c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C34H31NO3/c1-24-32(35-33(38-24)28-13-6-3-7-14-28)17-8-10-25-18-20-26(21-19-25)22-31(34(36)37)30-16-9-15-29(23-30)27-11-4-2-5-12-27/h2-7,9,11-16,18-21,23,31H,8,10,17,22H2,1H3,(H,36,37)
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n/an/a 2.80E+3n/a 4.00E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33296
PNG
(BMC164883 Compound 58 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO3/c1-20-26(29-27(32-20)24-12-6-3-7-13-24)14-8-9-21-15-17-22(18-16-21)19-25(28(30)31)23-10-4-2-5-11-23/h2-7,10-13,15-18,25H,8-9,14,19H2,1H3,(H,30,31)
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n/an/a 4.00E+3n/a 3.90E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34032
PNG
(phenylpropanoic acid derivative, 59)
Show SMILES CN(CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccn1
Show InChI InChI=1S/C22H25N3O2/c1-24(21-8-2-3-13-23-21)14-6-7-18-9-11-19(12-10-18)17-20(22(26)27)25-15-4-5-16-25/h2-5,8-13,15-16,20H,6-7,14,17H2,1H3,(H,26,27)/t20-/m0/s1
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n/an/a 2.80E+4n/a 1.20E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34033
PNG
(phenylpropanoic acid derivative, 60)
Show SMILES CN(CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c1-24(21-9-3-2-4-10-21)15-7-8-19-11-13-20(14-12-19)18-22(23(26)27)25-16-5-6-17-25/h2-6,9-14,16-17,22H,7-8,15,18H2,1H3,(H,26,27)/t22-/m0/s1
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n/an/a 1.10E+4n/a 3.60E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34034
PNG
(phenylpropanoic acid derivative, 66)
Show SMILES Cc1oc(nc1CCNc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)20-7-3-2-4-8-20)13-14-26-21-11-9-19(10-12-21)17-23(25(29)30)28-15-5-6-16-28/h2-12,15-16,23,26H,13-14,17H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/a 1.60E+3n/a 480n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34035
PNG
(phenylpropanoic acid derivative, 74)
Show SMILES Cc1oc(nc1CNCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3/c1-18-22(27-24(31-18)21-7-3-2-4-8-21)17-26-16-20-11-9-19(10-12-20)15-23(25(29)30)28-13-5-6-14-28/h2-14,23,26H,15-17H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/a>5.00E+4n/a 9.00E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34036
PNG
(phenylpropanoic acid derivative, 75)
Show SMILES CN(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1
Show InChI InChI=1S/C26H27N3O3/c1-19-23(27-25(32-19)22-8-4-3-5-9-22)18-28(2)17-21-12-10-20(11-13-21)16-24(26(30)31)29-14-6-7-15-29/h3-15,24H,16-18H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/a>1.00E+5n/a 7.00E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM34037
PNG
(phenylpropanoic acid derivative, 76)
Show SMILES CC(=O)N(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1
Show InChI InChI=1S/C27H27N3O4/c1-19-24(28-26(34-19)23-8-4-3-5-9-23)18-30(20(2)31)17-22-12-10-21(11-13-22)16-25(27(32)33)29-14-6-7-15-29/h3-15,25H,16-18H2,1-2H3,(H,32,33)/t25-/m0/s1
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n/an/a>1.00E+5n/a>3.00E+4n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR gamma ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysin...


Bioorg Med Chem 16: 4883-907 (2008)


Article DOI: 10.1016/j.bmc.2008.03.043
BindingDB Entry DOI: 10.7270/Q2SN0797
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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/a 274n/a 223n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33284
PNG
(BMC164883 Compound 53 | phenylpropanoic acid deriv...)
Show SMILES Cc1oc(nc1CCCc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H26N2O3/c1-19-23(27-25(31-19)22-9-3-2-4-10-22)11-7-8-20-12-14-21(15-13-20)18-24(26(29)30)28-16-5-6-17-28/h2-6,9-10,12-17,24H,7-8,11,18H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 185n/a 140n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33285
PNG
(phenylpropanoic acid derivative, 17a | racemic)
Show SMILES Cc1oc(nc1CCCc1ccc(CC(C(O)=O)c2ccsc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H25NO3S/c1-18-24(27-25(30-18)21-7-3-2-4-8-21)9-5-6-19-10-12-20(13-11-19)16-23(26(28)29)22-14-15-31-17-22/h2-4,7-8,10-15,17,23H,5-6,9,16H2,1H3,(H,28,29)
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n/an/a 1.60E+3n/a 399n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33286
PNG
(phenylpropanoic acid derivative, 17b | racemic)
Show SMILES Cc1cc(no1)C(Cc1ccc(CCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26N2O4/c1-17-15-24(28-32-17)22(26(29)30)16-20-13-11-19(12-14-20)7-6-10-23-18(2)31-25(27-23)21-8-4-3-5-9-21/h3-5,8-9,11-15,22H,6-7,10,16H2,1-2H3,(H,29,30)
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n/an/a 1.40E+4n/a 1.90E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM33287
PNG
(phenylpropanoic acid derivative, 17c | racemic)
Show SMILES Cc1cc(on1)C(Cc1ccc(CCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26N2O4/c1-17-15-24(32-28-17)22(26(29)30)16-20-13-11-19(12-14-20)7-6-10-23-18(2)31-25(27-23)21-8-4-3-5-9-21/h3-5,8-9,11-15,22H,6-7,10,16H2,1-2H3,(H,29,30)
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PubMed
n/an/a 1.60E+3n/a 3.80E+3n/an/a7.423



Pfizer



Assay Description
Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ...


Bioorg Med Chem 17: 7113-25 (2009)


Article DOI: 10.1016/j.bmc.2009.09.001
BindingDB Entry DOI: 10.7270/Q2BP0158
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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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PubMed
74 -40.3n/an/an/an/an/a7.522



Consiglio Nazionale delle Ricerche



Assay Description
The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28762
PNG
((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
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88 -39.9n/an/an/an/an/a7.522



Consiglio Nazionale delle Ricerche



Assay Description
The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28763
PNG
((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1
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PubMed
971 -34.0n/an/an/an/an/a7.522



Consiglio Nazionale delle Ricerche



Assay Description
The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28763
PNG
((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1
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Article
PubMed
n/an/an/a 1.98E+3 593n/an/a7.537



Consiglio Nazionale delle Ricerche



Assay Description
Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(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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PubMed
n/an/an/a 14.8 3.80n/an/a7.537



Consiglio Nazionale delle Ricerche



Assay Description
Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28762
PNG
((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
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n/an/an/a 685 73.3n/an/a7.537



Consiglio Nazionale delle Ricerche



Assay Description
Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe...


J Biol Chem 282: 17314-24 (2007)


Article DOI: 10.1074/jbc.M702316200
BindingDB Entry DOI: 10.7270/Q27M0682
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28802
PNG
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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Article
PubMed
n/an/a>1.50E+4n/a 4.51E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
For PPARgamma, the percentage inhibition was calculated relative to rosiglitazone, which was used as the active site-specific competitive binder. Flu...


J Pharmacol Exp Ther 327: 716-26 (2008)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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Article
PubMed
n/an/a>1.50E+4n/a 4.10E+3n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
For PPARgamma, the percentage inhibition was calculated relative to rosiglitazone, which was used as the active site-specific competitive binder. Flu...


J Pharmacol Exp Ther 327: 716-26 (2008)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM28803
PNG
(2-[4-(4-chlorophenoxy)phenoxy]propanoic acid | Clo...)
Show SMILES CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)
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PubMed
n/an/a>9.84E+4n/a>5.00E+4n/an/a8.022



Bristol-Myers Squibb Company



Assay Description
For PPARgamma, the percentage inhibition was calculated relative to rosiglitazone, which was used as the active site-specific competitive binder. Flu...


J Pharmacol Exp Ther 327: 716-26 (2008)


Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)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/h2-9,15H,10-12H2,1H3,(H,20,22,23)
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PubMed
8 -43.0n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM233176
PNG
(Sodium 8-hydroxy-8-(2-octyloxy-quinolin-3-yl)-oct-...)
Show SMILES CCCCCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C25H33NO4/c1-2-3-4-5-8-13-18-30-25-21(19-20-14-11-12-15-22(20)26-25)23(27)16-9-6-7-10-17-24(28)29/h11-12,14-15,19,23,27H,2-5,7-8,10,13,16-18H2,1H3,(H,28,29)/p-1
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378 -34.1n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM233183
PNG
(Sodium 8-hydroxy-8-(6-methoxy-2-pentyloxy-quinolin...)
Show SMILES CCCCCOc1nc2ccc(OC)cc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C23H29NO5/c1-3-4-9-14-29-23-19(21(25)10-7-5-6-8-11-22(26)27)16-17-15-18(28-2)12-13-20(17)24-23/h12-13,15-16,21,25H,3-4,6,8-11,14H2,1-2H3,(H,26,27)/p-1
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583 -33.1n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50172802
PNG
(CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...)
Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O
Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1
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947 -32.0n/an/an/an/an/a8.24



Université de Rennes 1



Assay Description
Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...


J Enzyme Inhib Med Chem 25: 653-72 (2010)


Article DOI: 10.3109/14756360903468171
BindingDB Entry DOI: 10.7270/Q2HT2N6V
More data for this
Ligand-Target Pair
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