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PubMed code 10612594

Compile data set for download or QSAR
Found 32 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


(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
47n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50083625
PNG
(CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...)
Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)
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48n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50083625
PNG
(CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...)
Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)
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50n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217324
PNG
(CHEMBL331798)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C24H21NO2/c26-23(27)16-18-12-14-22-21(15-18)20(13-11-17-7-3-1-4-8-17)24(25-22)19-9-5-2-6-10-19/h1-10,12,14-15,25H,11,13,16H2,(H,26,27)
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148n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217325
PNG
(CHEMBL275682)
Show SMILES Cn1c(c(CCc2ccccc2)c2cc(OCC(O)=O)ccc12)-c1ccccc1
Show InChI InChI=1S/C25H23NO3/c1-26-23-15-13-20(29-17-24(27)28)16-22(23)21(14-12-18-8-4-2-5-9-18)25(26)19-10-6-3-7-11-19/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,28)
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214n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50088494
PNG
(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
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302n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217327
PNG
(CHEMBL116043)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccc(F)cc3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2NO2/c25-18-7-1-15(2-8-18)3-11-20-21-13-16(14-23(28)29)4-12-22(21)27-24(20)17-5-9-19(26)10-6-17/h1-2,4-10,12-13,27H,3,11,14H2,(H,28,29)
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490n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217321
PNG
(CHEMBL111841)
Show SMILES Cn1c(c(CCc2ccccc2)c2cc(CC(O)=O)ccc12)-c1ccccc1
Show InChI InChI=1S/C25H23NO2/c1-26-23-15-13-19(17-24(27)28)16-22(23)21(14-12-18-8-4-2-5-9-18)25(26)20-10-6-3-7-11-20/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,28)
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550n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | PIOGLITAZONE | Piog...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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1.23E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217326
PNG
(CHEMBL115448)
Show SMILES O=C1CSC(=O)N1Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O2S/c29-24-17-31-26(30)28(24)16-19-12-14-23-22(15-19)21(13-11-18-7-3-1-4-8-18)25(27-23)20-9-5-2-6-10-20/h1-10,12,14-15,27H,11,13,16-17H2
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1.91E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217329
PNG
(CHEMBL420314)
Show SMILES CCCc1c([nH]c2ccc(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-2-6-14-15-11-13(18(20)21)9-10-16(15)19-17(14)12-7-4-3-5-8-12/h3-5,7-11,19H,2,6H2,1H3,(H,20,21)
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3.72E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217328
PNG
(CHEMBL268513)
Show SMILES CCCc1c([nH]c2ccc(CC(O)=O)cc12)-c1ccccc1
Show InChI InChI=1S/C19H19NO2/c1-2-6-15-16-11-13(12-18(21)22)9-10-17(16)20-19(15)14-7-4-3-5-8-14/h3-5,7-11,20H,2,6,12H2,1H3,(H,21,22)
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3.89E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217319
PNG
(CHEMBL115137)
Show SMILES OC(=O)Cc1ccc2[nH]c(cc2c1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-16(19)9-11-6-7-14-13(8-11)10-15(17-14)12-4-2-1-3-5-12/h1-8,10,17H,9H2,(H,18,19)
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4.47E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217323
PNG
(CHEMBL326947)
Show SMILES OC(=O)CCc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C25H23NO2/c27-24(28)16-13-19-12-15-23-22(17-19)21(14-11-18-7-3-1-4-8-18)25(26-23)20-9-5-2-6-10-20/h1-10,12,15,17,26H,11,13-14,16H2,(H,27,28)
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7.24E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217322
PNG
(CHEMBL113587)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(-c3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C22H17NO2/c24-20(25)14-15-11-12-19-18(13-15)21(16-7-3-1-4-8-16)22(23-19)17-9-5-2-6-10-17/h1-13,23H,14H2,(H,24,25)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the PPAR gamma)


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217320
PNG
(CHEMBL115310)
Show SMILES OC(=O)Cc1ccc2[nH]cc(CCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17NO2/c20-18(21)11-14-7-9-17-16(10-14)15(12-19-17)8-6-13-4-2-1-3-5-13/h1-5,7,9-10,12,19H,6,8,11H2,(H,20,21)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50083625
PNG
(CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...)
Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)
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n/an/a 50n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the PPAR gamma)


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50088494
PNG
(BDBM50101974 | CHEMBL3542292 | CI-991 | CS-045 | G...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(CC4SC(=O)NC4=O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
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n/an/an/an/a 537n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217327
PNG
(CHEMBL116043)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccc(F)cc3)c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19F2NO2/c25-18-7-1-15(2-8-18)3-11-20-21-13-16(14-23(28)29)4-12-22(21)27-24(20)17-5-9-19(26)10-6-17/h1-2,4-10,12-13,27H,3,11,14H2,(H,28,29)
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n/an/an/an/a 339n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217320
PNG
(CHEMBL115310)
Show SMILES OC(=O)Cc1ccc2[nH]cc(CCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17NO2/c20-18(21)11-14-7-9-17-16(10-14)15(12-19-17)8-6-13-4-2-1-3-5-13/h1-5,7,9-10,12,19H,6,8,11H2,(H,20,21)
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n/an/an/an/a<1.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217321
PNG
(CHEMBL111841)
Show SMILES Cn1c(c(CCc2ccccc2)c2cc(CC(O)=O)ccc12)-c1ccccc1
Show InChI InChI=1S/C25H23NO2/c1-26-23-15-13-19(17-24(27)28)16-22(23)21(14-12-18-8-4-2-5-9-18)25(26)20-10-6-3-7-11-20/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,28)
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n/an/an/an/a 5.62E+3n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217323
PNG
(CHEMBL326947)
Show SMILES OC(=O)CCc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C25H23NO2/c27-24(28)16-13-19-12-15-23-22(17-19)21(14-11-18-7-3-1-4-8-18)25(26-23)20-9-5-2-6-10-20/h1-10,12,15,17,26H,11,13-14,16H2,(H,27,28)
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n/an/an/an/a 3.02E+3n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50083625
PNG
(CHEMBL320553 | {3-[2-(4-Methoxy-phenyl)-ethyl]-2-p...)
Show SMILES COc1ccc(CCc2c([nH]c3ccc(CC(O)=O)cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C25H23NO3/c1-29-20-11-7-17(8-12-20)9-13-21-22-15-18(16-24(27)28)10-14-23(22)26-25(21)19-5-3-2-4-6-19/h2-8,10-12,14-15,26H,9,13,16H2,1H3,(H,27,28)
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n/an/an/an/a 44n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217322
PNG
(CHEMBL113587)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(-c3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C22H17NO2/c24-20(25)14-15-11-12-19-18(13-15)21(16-7-3-1-4-8-16)22(23-19)17-9-5-2-6-10-17/h1-13,23H,14H2,(H,24,25)
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n/an/an/an/a<1.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217328
PNG
(CHEMBL268513)
Show SMILES CCCc1c([nH]c2ccc(CC(O)=O)cc12)-c1ccccc1
Show InChI InChI=1S/C19H19NO2/c1-2-6-15-16-11-13(12-18(21)22)9-10-17(16)20-19(15)14-7-4-3-5-8-14/h3-5,7-11,20H,2,6,12H2,1H3,(H,21,22)
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n/an/an/an/a 7.08E+3n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217326
PNG
(CHEMBL115448)
Show SMILES O=C1CSC(=O)N1Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C26H22N2O2S/c29-24-17-31-26(30)28(24)16-19-12-14-23-22(15-19)21(13-11-18-7-3-1-4-8-18)25(27-23)20-9-5-2-6-10-20/h1-10,12,14-15,27H,11,13,16-17H2
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n/an/an/an/a<1.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217318
PNG
(CHEMBL113006)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(Cc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C23H19NO2/c25-22(26)15-17-11-12-21-19(14-17)20(13-16-7-3-1-4-8-16)23(24-21)18-9-5-2-6-10-18/h1-12,14,24H,13,15H2,(H,25,26)
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n/an/an/an/a<1.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217329
PNG
(CHEMBL420314)
Show SMILES CCCc1c([nH]c2ccc(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C18H17NO2/c1-2-6-14-15-11-13(18(20)21)9-10-16(15)19-17(14)12-7-4-3-5-8-12/h3-5,7-11,19H,2,6H2,1H3,(H,20,21)
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n/an/an/an/a<1.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
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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n/an/an/an/a 89n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217325
PNG
(CHEMBL275682)
Show SMILES Cn1c(c(CCc2ccccc2)c2cc(OCC(O)=O)ccc12)-c1ccccc1
Show InChI InChI=1S/C25H23NO3/c1-26-23-15-13-20(29-17-24(27)28)16-22(23)21(14-12-18-8-4-2-5-9-18)25(26)19-10-6-3-7-11-19/h2-11,13,15-16H,12,14,17H2,1H3,(H,27,28)
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n/an/an/an/a<1.00E+4n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | PIOGLITAZONE | Piog...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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n/an/an/an/a 589n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50217324
PNG
(CHEMBL331798)
Show SMILES OC(=O)Cc1ccc2[nH]c(c(CCc3ccccc3)c2c1)-c1ccccc1
Show InChI InChI=1S/C24H21NO2/c26-23(27)16-18-12-14-22-21(15-18)20(13-11-17-7-3-1-4-8-17)24(25-22)19-9-5-2-6-10-19/h1-10,12,14-15,25H,11,13,16H2,(H,26,27)
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n/an/an/an/a 309n/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
Transcriptional activation of peroxisome proliferator activated receptor gamma


Bioorg Med Chem Lett 9: 3329-34 (2000)


Article DOI: 10.1016/s0960-894x(99)00603-4
BindingDB Entry DOI: 10.7270/Q2FN15FG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%