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Compile Data Set for Download or QSAR

Found 48 hits of kd data for polymerid = 2209   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
PDB
MMDB

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n/an/an/a 0.0950n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
PDB
MMDB

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n/an/an/a 0.0990n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050556
PNG
(CHEMBL3317860)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CCCCCCC1
Show InChI InChI=1/C34H42N2O4/c1-2-21-40-32-18-13-27(23-29(34(38)39)22-26-11-7-6-8-12-26)24-30(32)25-35-33(37)28-14-16-31(17-15-28)36-19-9-4-3-5-10-20-36/h6-8,11-18,24,29H,2-5,9-10,19-23,25H2,1H3,(H,35,37)(H,38,39)/t29-/s2
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n/an/an/a 0.100n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050550
PNG
(CHEMBL3317867)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1C2CC3CC(C2)CC1C3
Show InChI InChI=1/C36H42N2O4/c1-2-14-42-34-13-8-25(17-29(36(40)41)16-24-6-4-3-5-7-24)18-30(34)23-37-35(39)28-9-11-31(12-10-28)38-32-19-26-15-27(21-32)22-33(38)20-26/h3-13,18,26-27,29,32-33H,2,14-17,19-23H2,1H3,(H,37,39)(H,40,41)/t26?,27?,29-,32?,33?/s2
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n/an/an/a 0.110n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

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=1/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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n/an/an/a 0.145n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050554
PNG
(CHEMBL3317863)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC(C)(C)CC(C)(C)C1
Show InChI InChI=1/C36H46N2O4/c1-6-18-42-32-17-12-27(20-29(34(40)41)19-26-10-8-7-9-11-26)21-30(32)22-37-33(39)28-13-15-31(16-14-28)38-24-35(2,3)23-36(4,5)25-38/h7-17,21,29H,6,18-20,22-25H2,1-5H3,(H,37,39)(H,40,41)/t29-/s2
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n/an/an/a 0.400n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050552
PNG
(CHEMBL3317865)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1C2CCCC1CCC2
Show InChI InChI=1/C35H42N2O4/c1-2-20-41-33-19-14-26(22-28(35(39)40)21-25-8-4-3-5-9-25)23-29(33)24-36-34(38)27-15-17-32(18-16-27)37-30-10-6-11-31(37)13-7-12-30/h3-5,8-9,14-19,23,28,30-31H,2,6-7,10-13,20-22,24H2,1H3,(H,36,38)(H,39,40)/t28-,30?,31?/s2
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n/an/an/a 0.410n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050553
PNG
(CHEMBL3317864)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1C2CCC1CCC2
Show InChI InChI=1/C34H40N2O4/c1-2-19-40-32-18-11-25(21-27(34(38)39)20-24-7-4-3-5-8-24)22-28(32)23-35-33(37)26-12-14-31(15-13-26)36-29-9-6-10-30(36)17-16-29/h3-5,7-8,11-15,18,22,27,29-30H,2,6,9-10,16-17,19-21,23H2,1H3,(H,35,37)(H,38,39)/t27-,29?,30?/s2
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n/an/an/a 0.640n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050551
PNG
(CHEMBL3317866)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CC2CCC(C2)C1
Show InChI InChI=1/C34H40N2O4/c1-2-16-40-32-15-10-25(19-29(34(38)39)18-24-6-4-3-5-7-24)20-30(32)21-35-33(37)28-11-13-31(14-12-28)36-22-26-8-9-27(17-26)23-36/h3-7,10-15,20,26-27,29H,2,8-9,16-19,21-23H2,1H3,(H,35,37)(H,38,39)/t26?,27?,29-/s2
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n/an/an/a 0.800n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

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=1/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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n/an/an/a 1.20n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050555
PNG
(CHEMBL3317455)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CCCCCCCC1
Show InChI InChI=1/C35H44N2O4/c1-2-22-41-33-19-14-28(24-30(35(39)40)23-27-12-8-7-9-13-27)25-31(33)26-36-34(38)29-15-17-32(18-16-29)37-20-10-5-3-4-6-11-21-37/h7-9,12-19,25,30H,2-6,10-11,20-24,26H2,1H3,(H,36,38)(H,39,40)/t30-/s2
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n/an/an/a 1.80n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/a 2.30n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50050557
PNG
(CHEMBL3317858)
Show SMILES CCCOc1ccc(C[C@@H](Cc2ccccc2)C(O)=O)cc1CNC(=O)c1ccc(cc1)N1CCCCC1
Show InChI InChI=1/C32H38N2O4/c1-2-19-38-30-16-11-25(21-27(32(36)37)20-24-9-5-3-6-10-24)22-28(30)23-33-31(35)26-12-14-29(15-13-26)34-17-7-4-8-18-34/h3,5-6,9-16,22,27H,2,4,7-8,17-21,23H2,1H3,(H,33,35)(H,36,37)/t27-/s2
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n/an/an/a 2.90n/an/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged PPARgamma LBD by SPR method


Bioorg Med Chem Lett 24: 4001-5 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50235986
PNG
(CHEMBL4073499)
PDB
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n/an/an/a 3.70n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50235985
PNG
(CHEMBL4092600)
PDB
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n/an/an/a 4.90n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
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/an/a 7n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)

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/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)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428826
PNG
(CHEMBL2337127)
Show SMILES COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1C\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+
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n/an/an/a 19n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50173365
PNG
(5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDO...)
Show SMILES OC(=O)c1c(Sc2ccccc2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl2NO2S/c23-15-8-6-14(7-9-15)13-25-19-11-10-16(24)12-18(19)21(20(25)22(26)27)28-17-4-2-1-3-5-17/h1-12H,13H2,(H,26,27)
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n/an/an/a 29n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)

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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n/an/an/a 120n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50109547
PNG
((S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/a 170n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50099491
PNG
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)
Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
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n/an/an/a 180n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM91427
PNG
(2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-(2-ph...)
Show SMILES COc1cc(CCc2ccccc2)c(C(O)=O)c(O)c1CC=C(C)C
Show InChI InChI=1S/C21H24O4/c1-14(2)9-12-17-18(25-3)13-16(19(20(17)22)21(23)24)11-10-15-7-5-4-6-8-15/h4-9,13,22H,10-12H2,1-3H3,(H,23,24)
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n/an/an/a 236n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 270n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50428827
PNG
(CHEMBL2337126)
Show SMILES CCCCCc1cc(OC)c(CC=C(C)C)c(O)c1C(O)=O
Show InChI InChI=1S/C18H26O4/c1-5-6-7-8-13-11-15(22-4)14(10-9-12(2)3)17(19)16(13)18(20)21/h9,11,19H,5-8,10H2,1-4H3,(H,20,21)
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n/an/an/a 287n/an/an/an/an/a



Helmholtz Centre for Infection Research

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma (unknown origin) by competitive TR-FRET assay


J Med Chem 56: 1535-43 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50122338
PNG
((S)-3-[4-(3,3-Bis-biphenyl-4-yl-allyloxy)-phenyl]-...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccc(cc2)-c2ccccc2)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C38H34O4/c1-2-41-37(38(39)40)27-28-13-23-35(24-14-28)42-26-25-36(33-19-15-31(16-20-33)29-9-5-3-6-10-29)34-21-17-32(18-22-34)30-11-7-4-8-12-30/h3-25,37H,2,26-27H2,1H3,(H,39,40)/t37-/m0/s1
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n/an/an/a 300n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50075315
PNG
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)
Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)
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n/an/an/a 326n/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma (PPAR gamma)


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50075315
PNG
(5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...)
Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)
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n/an/an/a 330n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/a 1.30E+3n/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FTase-catalyzed incorporation of [3H]- FPP radioligand into recombinant Ha-Ras by 50% at an enzyme concentration of 1 nM.


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50401012
PNG
(CHEMBL2206302)
Show SMILES CCCCCCCN(CCc1ccc(O[C@H](C)C([O-])=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/m1/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)

More data for this
Ligand-Target Pair
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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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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50389675
PNG
(CHEMBL1077284)
Show SMILES CCCCC\C=C/C=C/C(O)CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
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n/an/an/a 2.00E+3n/an/an/an/an/a



Universit£ Lille-Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


J Med Chem 55: 4027-61 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50242349
PNG
((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
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n/an/an/a 2.00E+3n/an/an/an/an/a



Universit£ Lille-Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


J Med Chem 55: 4027-61 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50389674
PNG
(CHEMBL2069934)
Show SMILES CCCCCC(O)\C=C/C=C\CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12-
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n/an/an/a 2.00E+3n/an/an/an/an/a



Universit£ Lille-Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


J Med Chem 55: 4027-61 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50270612
PNG
(15-deoxy-d12,14-prostaglandin J2 | 15-deoxy-delta1...)
Show SMILES CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
Show InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Universit£ Lille-Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


J Med Chem 55: 4027-61 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/an/a 2.00E+3n/an/an/an/an/a



Universit£ Lille-Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


J Med Chem 55: 4027-61 (2012)

More data for this
Ligand-Target Pair
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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n/an/an/a 2.00E+3n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50122340
PNG
((S)-3-[4-(3,3-Diphenyl-allyloxy)-phenyl]-2-ethoxy-...)
Show SMILES CCO[C@@H](Cc1ccc(OCC=C(c2ccccc2)c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26O4/c1-2-29-25(26(27)28)19-20-13-15-23(16-14-20)30-18-17-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17,25H,2,18-19H2,1H3,(H,27,28)/t25-/m0/s1
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n/an/an/a 2.70E+3n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50401011
PNG
(CHEMBL2206303)
Show SMILES CCCCCCCN(CCc1ccc(O[C@@H](C)C([O-])=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C25H32N2O4/c1-3-4-5-6-9-17-27(25-26-22-10-7-8-11-23(22)31-25)18-16-20-12-14-21(15-13-20)30-19(2)24(28)29/h7-8,10-15,19H,3-6,9,16-18H2,1-2H3,(H,28,29)/p-1/t19-/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)

More data for this
Ligand-Target Pair
PPAR alpha/gamma


(Homo sapiens (Human))
BDBM50203462
PNG
(CHEMBL3931161)
Show SMILES CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
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n/an/an/a 4.00E+3n/an/an/an/an/a



Galderma R&D

Curated by ChEMBL


Assay Description
Activity at GAL4 DBD-fused PPARgamma LBD (unknown origin) expressed in HG5LN cells after 18 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 26: 5802-5808 (2016)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50401013
PNG
(CHEMBL477312)
Show SMILES CCCCCCCN(CCc1ccc(OC(C)(C)C(O)=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C26H34N2O4/c1-4-5-6-7-10-18-28(25-27-22-11-8-9-12-23(22)31-25)19-17-20-13-15-21(16-14-20)32-26(2,3)24(29)30/h8-9,11-16H,4-7,10,17-19H2,1-3H3,(H,29,30)
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n/an/an/a 4.50E+3n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)

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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n/an/an/a 4.98E+3n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma


Bioorg Med Chem Lett 16: 5913-6 (2006)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50370847
PNG
(CHEMBL223249)
Show SMILES OC(=O)C(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H21ClN2O4/c26-19-8-6-17(7-9-19)24(29)28-23(25(30)31)12-18-14-27-22-13-20(10-11-21(18)22)32-15-16-4-2-1-3-5-16/h1-11,13-14,23,27H,12,15H2,(H,28,29)(H,30,31)
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n/an/an/a 6.86E+3n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma


Bioorg Med Chem Lett 16: 5913-6 (2006)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50401010
PNG
(CHEMBL2206304)
Show SMILES CCCCCCCN(CCc1ccc(OCC([O-])=O)cc1)c1nc2ccccc2o1
Show InChI InChI=1S/C24H30N2O4/c1-2-3-4-5-8-16-26(24-25-21-9-6-7-10-22(21)30-24)17-15-19-11-13-20(14-12-19)29-18-23(27)28/h6-7,9-14H,2-5,8,15-18H2,1H3,(H,27,28)/p-1
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n/an/an/a 7.70E+3n/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma ligand binding domain by isothermal titration calorimetry


J Med Chem 55: 37-54 (2012)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50370846
PNG
(CHEMBL375353)
Show SMILES OC(=O)C(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)(NC(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H21ClN2O6/c27-19-8-6-17(7-9-19)23(30)29-26(24(31)32,25(33)34)13-18-14-28-22-12-20(10-11-21(18)22)35-15-16-4-2-1-3-5-16/h1-12,14,28H,13,15H2,(H,29,30)(H,31,32)(H,33,34)
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n/an/an/a 8.69E+3n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to human PPARgamma


Bioorg Med Chem Lett 16: 5913-6 (2006)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50175504
PNG
(3-{4-[2-(Dibenzo[b,f][1,4]thiazepin-11-yl-methyl-a...)
Show SMILES CCOC(Cc1ccc(OCCN(C)C2=Nc3ccccc3Sc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C27H28N2O4S/c1-3-32-23(27(30)31)18-19-12-14-20(15-13-19)33-17-16-29(2)26-21-8-4-6-10-24(21)34-25-11-7-5-9-22(25)28-26/h4-15,23H,3,16-18H2,1-2H3,(H,30,31)
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n/an/an/a 9.80E+3n/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor gamma


J Med Chem 48: 6523-43 (2005)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM19264
PNG
((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O
Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
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n/an/an/a 1.10E+5n/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


Bioorg Med Chem Lett 17: 4767-70 (2007)

More data for this
Ligand-Target Pair