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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Rattus norvegicus)
BDBM50032671
PNG
(6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPH...)
Show SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133123
PNG
(5-{3-[3-tert-Butyl-5-ethyl-2-(3-fluoro-propoxy)-ph...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCCCF)c(c1)C(C)(C)C
Show InChI InChI=1S/C25H31FO3S/c1-6-18-15-20(24(29-12-7-11-26)21(16-18)25(3,4)5)19-10-13-30-22(19)9-8-17(2)14-23(27)28/h8-10,13-16H,6-7,11-12H2,1-5H3,(H,27,28)/b9-8+,17-14+
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1.75E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133121
PNG
(5-{3-[3-tert-Butyl-2-(2,2-difluoro-ethoxy)-5-ethyl...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCC(F)F)c(c1)C(C)(C)C
Show InChI InChI=1S/C24H28F2O3S/c1-6-16-12-18(23(29-14-21(25)26)19(13-16)24(3,4)5)17-9-10-30-20(17)8-7-15(2)11-22(27)28/h7-13,21H,6,14H2,1-5H3,(H,27,28)/b8-7+,15-11+
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2.61E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133118
PNG
(5-{3-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H28F2O3S/c1-14(2)17-11-19(15(3)4)24(29-13-22(25)26)20(12-17)18-8-9-30-21(18)7-6-16(5)10-23(27)28/h6-12,14-15,22H,13H2,1-5H3,(H,27,28)/b7-6+,16-10+
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3.15E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133127
PNG
(5-{3-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO3S/c1-16(2)19-14-21(17(3)4)25(29-11-6-10-26)22(15-19)20-9-12-30-23(20)8-7-18(5)13-24(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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3.15E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133126
PNG
(5-[2-(3,5-Diisopropyl-2-propoxy-phenyl)-cyclopent-...)
Show SMILES CCCOc1c(cc(cc1C1=C(CCC1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H36O3/c1-7-13-29-26-23(18(4)5)15-21(17(2)3)16-24(26)22-10-8-9-20(22)12-11-19(6)14-25(27)28/h11-12,14-18H,7-10,13H2,1-6H3,(H,27,28)/b12-11+,19-14+
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3.22E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome proliferator activated receptor gamma


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133117
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1occc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO4/c1-16(2)20-14-21(17(3)4)25(29-11-6-10-26)22(15-20)24-19(9-12-30-24)8-7-18(5)13-23(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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4.29E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133114
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H35FO3/c1-17(2)21-15-23(18(3)4)26(30-13-7-12-27)24(16-21)22-9-6-8-20(22)11-10-19(5)14-25(28)29/h10-11,14-18H,6-9,12-13H2,1-5H3,(H,28,29)/b11-10+,19-14+
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4.71E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133128
PNG
(5-{2-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H32F2O3/c1-15(2)19-12-21(16(3)4)25(30-14-23(26)27)22(13-19)20-8-6-7-18(20)10-9-17(5)11-24(28)29/h9-13,15-16,23H,6-8,14H2,1-5H3,(H,28,29)/b10-9+,17-11+
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4.72E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50129720
PNG
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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5.59E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133116
PNG
((2E,4E)-5-{3-[3,5-Di-tert-butyl-2-(3,3-difluoro-pr...)
Show SMILES C\C(\C=C\c1sccc1-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C27H34F2O3S/c1-17(14-24(30)31)8-9-22-19(11-13-33-22)20-15-18(26(2,3)4)16-21(27(5,6)7)25(20)32-12-10-23(28)29/h8-9,11,13-16,23H,10,12H2,1-7H3,(H,30,31)/b9-8+,17-14+
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6.57E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133119
PNG
(5-{2-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31F3O3/c1-15(2)19-12-21(16(3)4)24(31-14-25(26,27)28)22(13-19)20-8-6-7-18(20)10-9-17(5)11-23(29)30/h9-13,15-16H,6-8,14H2,1-5H3,(H,29,30)/b10-9+,17-11+
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6.57E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133125
PNG
(5-{3-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1cnccc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H28F3NO3/c1-15(2)19-11-20(16(3)4)24(32-14-25(26,27)28)21(12-19)22-13-29-9-8-18(22)7-6-17(5)10-23(30)31/h6-13,15-16H,14H2,1-5H3,(H,30,31)/b7-6+,17-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133120
PNG
(5-{3-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H27F3O3S/c1-14(2)17-11-19(15(3)4)23(30-13-24(25,26)27)20(12-17)18-8-9-31-21(18)7-6-16(5)10-22(28)29/h6-12,14-15H,13H2,1-5H3,(H,28,29)/b7-6+,16-10+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133115
PNG
(5-[2'-(3-Fluoro-propoxy)-3',5'-diisopropyl-bipheny...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1ccccc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H33FO3/c1-18(2)22-16-24(19(3)4)27(31-14-8-13-28)25(17-22)23-10-7-6-9-21(23)12-11-20(5)15-26(29)30/h6-7,9-12,15-19H,8,13-14H2,1-5H3,(H,29,30)/b12-11+,20-15+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50133124
PNG
(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Peroxisome proliferator activated receptor gamma was determined


J Med Chem 46: 4087-103 (2003)

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


(Rattus norvegicus)
BDBM50271605
PNG
(2-(4-(2-fluorobenzyloxy)benzyl)-3-hydroxynaphthale...)
Show SMILES Fc1ccccc1COc1ccc(CC2C(=O)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C24H17FO4/c25-21-8-4-1-5-16(21)14-29-17-11-9-15(10-12-17)13-20-22(26)18-6-2-3-7-19(18)23(27)24(20)28/h1-12,20H,13-14H2
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n/an/a 200n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes


Bioorg Med Chem Lett 18: 3192-5 (2008)

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


(Rattus norvegicus)
BDBM50322695
PNG
(4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...)
Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)
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n/an/a 539n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at rat PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as inhibition of rosiglitazone-induced luciferas...


J Med Chem 53: 5012-24 (2010)

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


(Rattus norvegicus)
BDBM50049240
PNG
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)
Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)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/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)
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n/an/a 700n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes


Bioorg Med Chem Lett 18: 3192-5 (2008)

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


(Rattus norvegicus)
BDBM50271732
PNG
(4-(2-(4-((3-hydroxy-1,4-dioxo-1,4-dihydronaphthale...)
Show SMILES O=C1C(Cc2ccc(OCCOc3ccc(cc3)C#N)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C26H19NO5/c27-16-18-7-11-20(12-8-18)32-14-13-31-19-9-5-17(6-10-19)15-23-24(28)21-3-1-2-4-22(21)25(29)26(23)30/h1-12,23H,13-15H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes


Bioorg Med Chem Lett 18: 3192-5 (2008)

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


(Rattus norvegicus)
BDBM50271604
PNG
(2-(4-(benzyloxy)benzyl)-3-hydroxynaphthalene-1,4-d...)
Show SMILES O=C1C(Cc2ccc(OCc3ccccc3)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H18O4/c25-22-19-8-4-5-9-20(19)23(26)24(27)21(22)14-16-10-12-18(13-11-16)28-15-17-6-2-1-3-7-17/h1-13,21H,14-15H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes


Bioorg Med Chem Lett 18: 3192-5 (2008)

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


(Rattus norvegicus)
BDBM50271662
PNG
(2-(4-(2-(4-methoxyphenoxy)ethoxy)benzyl)-3-hydroxy...)
Show SMILES COc1ccc(OCCOc2ccc(CC3C(=O)C(=O)c4ccccc4C3=O)cc2)cc1
Show InChI InChI=1S/C26H22O6/c1-30-18-10-12-20(13-11-18)32-15-14-31-19-8-6-17(7-9-19)16-23-24(27)21-4-2-3-5-22(21)25(28)26(23)29/h2-13,23H,14-16H2,1H3
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n/an/a 5.62E+4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes


Bioorg Med Chem Lett 18: 3192-5 (2008)

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


(Rattus norvegicus)
BDBM50322695
PNG
(4,6-Bis(benzylthio)-2-(methylthio)pyrimidine-5-car...)
Show SMILES CSc1nc(SCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C20H18N2O2S3/c1-25-20-21-17(26-12-14-8-4-2-5-9-14)16(19(23)24)18(22-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,23,24)
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n/an/an/an/a 158n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Partial agonist activity at rat PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation a...


J Med Chem 53: 5012-24 (2010)

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


(Rattus norvegicus)
BDBM50360740
PNG
(CHEMBL1934476)
Show SMILES Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O3S/c1-14-20(31-22(25-14)15-7-9-17(24)10-8-15)21(28)26-18-5-3-11-27(13-18)19-6-2-4-16(12-19)23(29)30/h2,4,6-10,12,18H,3,5,11,13H2,1H3,(H,26,28)(H,29,30)/t18-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARgamma


Bioorg Med Chem Lett 22: 334-8 (2011)

More data for this
Ligand-Target Pair