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PubMed code 20527969

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(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)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)		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 1.77E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		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 1.79E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
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)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322681
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(N-butyl-N-methyl...)
Show SMILES CCCCN(C)c1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C24H28N4O2S/c1-3-4-15-28(2)24-26-21(25-16-18-11-7-5-8-12-18)20(23(29)30)22(27-24)31-17-19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3,(H,29,30)(H,25,26,27)
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n/an/an/an/a 420n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322685
PNG
(4-(Benzylthio)-2-(methylthio)-6-(2-pyridylmethylam...)
Show SMILES CSc1nc(NCc2ccccn2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C19H18N4O2S2/c1-26-19-22-16(21-11-14-9-5-6-10-20-14)15(18(24)25)17(23-19)27-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 250n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322682
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(dibutylamino)pyr...)
Show SMILES CCCCN(CCCC)c1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C27H34N4O2S/c1-3-5-17-31(18-6-4-2)27-29-24(28-19-21-13-9-7-10-14-21)23(26(32)33)25(30-27)34-20-22-15-11-8-12-16-22/h7-16H,3-6,17-20H2,1-2H3,(H,32,33)(H,28,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322689
PNG
(4-(Benzylthio)-6-(methylamino)-2-(methylthio)pyrim...)
Show SMILES CNc1nc(SC)nc(SCc2ccccc2)c1C(O)=O
Show InChI InChI=1S/C14H15N3O2S2/c1-15-11-10(13(18)19)12(17-14(16-11)20-2)21-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,18,19)(H,15,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322693
PNG
(4-(Benzylamino)-6-(benzyloxy)-2-(methylthio)pyrimi...)
Show SMILES CSc1nc(NCc2ccccc2)c(C(O)=O)c(OCc2ccccc2)n1
Show InChI InChI=1S/C20H19N3O3S/c1-27-20-22-17(21-12-14-8-4-2-5-9-14)16(19(24)25)18(23-20)26-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322677
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(butylthio)pyrimi...)
Show SMILES CCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C23H25N3O2S2/c1-2-3-14-29-23-25-20(24-15-17-10-6-4-7-11-17)19(22(27)28)21(26-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,27,28)(H,24,25,26)
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n/an/an/an/a 550n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 100n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322687
PNG
(CHEMBL1172426 | N-benzyl-4-(benzylamino)-6-chloro-...)
Show SMILES CSc1nc(Cl)c(C(=O)NCc2ccccc2)c(NCc2ccccc2)n1
Show InChI InChI=1S/C20H19ClN4OS/c1-27-20-24-17(21)16(19(26)23-13-15-10-6-3-7-11-15)18(25-20)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,23,26)(H,22,24,25)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322676
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(methylthio)pyrim...)
Show SMILES CSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C20H19N3O2S2/c1-26-20-22-17(21-12-14-8-4-2-5-9-14)16(19(24)25)18(23-20)27-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 180n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322678
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(octylthio)pyrimi...)
Show SMILES CCCCCCCCSc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C27H33N3O2S2/c1-2-3-4-5-6-13-18-33-27-29-24(28-19-21-14-9-7-10-15-21)23(26(31)32)25(30-27)34-20-22-16-11-8-12-17-22/h7-12,14-17H,2-6,13,18-20H2,1H3,(H,31,32)(H,28,29,30)
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n/an/an/an/a 950n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322679
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(butylamino)pyrim...)
Show SMILES CCCCNc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C23H26N4O2S/c1-2-3-14-24-23-26-20(25-15-17-10-6-4-7-11-17)19(22(28)29)21(27-23)30-16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,28,29)(H2,24,25,26,27)
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n/an/an/an/a 470n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322683
PNG
(4-Anilino-6-(benzylthio)-2-(methylthio)pyrimidine-...)
Show SMILES CSc1nc(Nc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C19H17N3O2S2/c1-25-19-21-16(20-14-10-6-3-7-11-14)15(18(23)24)17(22-19)26-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,23,24)(H,20,21,22)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322675
PNG
(4-(Benzylamino)-6-(benzylthio)pyrimidine-5-carboxy...)
Show SMILES OC(=O)c1c(NCc2ccccc2)ncnc1SCc1ccccc1
Show InChI InChI=1S/C19H17N3O2S/c23-19(24)16-17(20-11-14-7-3-1-4-8-14)21-13-22-18(16)25-12-15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,23,24)(H,20,21,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322686
PNG
(4-(Benzylthio)-2-(methylthio)-6-(3-pyridylmethylam...)
Show SMILES CSc1nc(NCc2cccnc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C19H18N4O2S2/c1-26-19-22-16(21-11-14-8-5-9-20-10-14)15(18(24)25)17(23-19)27-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 740n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322680
PNG
(4-(Benzylamino)-6-(benzylthio)-2-(heptylamino)pyri...)
Show SMILES CCCCCCCNc1nc(NCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C26H32N4O2S/c1-2-3-4-5-12-17-27-26-29-23(28-18-20-13-8-6-9-14-20)22(25(31)32)24(30-26)33-19-21-15-10-7-11-16-21/h6-11,13-16H,2-5,12,17-19H2,1H3,(H,31,32)(H2,27,28,29,30)
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n/an/an/an/a 250n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322684
PNG
(4-(Benzylthio)-2-(methylthio)-6-(2-phenethylamino)...)
Show SMILES CSc1nc(NCCc2ccccc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C21H21N3O2S2/c1-27-21-23-18(22-13-12-15-8-4-2-5-9-15)17(20(25)26)19(24-21)28-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,25,26)(H,22,23,24)
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n/an/an/an/a 670n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322688
PNG
(4-(Benzylthio)-2-(methylthio)-6-(4-pyridylmethylam...)
Show SMILES CSc1nc(NCc2ccncc2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C19H18N4O2S2/c1-26-19-22-16(21-11-13-7-9-20-10-8-13)15(18(24)25)17(23-19)27-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322690
PNG
(4-(Benzylthio)-2-(methylthio)-4-(propylamino)pyrim...)
Show SMILES CCCNc1nc(SC)nc(SCc2ccccc2)c1C(O)=O
Show InChI InChI=1S/C16H19N3O2S2/c1-3-9-17-13-12(15(20)21)14(19-16(18-13)22-2)23-10-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,20,21)(H,17,18,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322691
PNG
(4-(Benzylthio)-6-(cyclopropylamino)-2-(methylthio)...)
Show SMILES CSc1nc(NC2CC2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C16H17N3O2S2/c1-22-16-18-13(17-11-7-8-11)12(15(20)21)14(19-16)23-9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,20,21)(H,17,18,19)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		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 140n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322694
PNG
(4-(Benzylamino)-2-(methylthio)-6-(2-thienyl)pyrimi...)
Show SMILES CSc1nc(NCc2ccccc2)c(C(O)=O)c(n1)-c1cccs1
Show InChI InChI=1S/C17H15N3O2S2/c1-23-17-19-14(12-8-5-9-24-12)13(16(21)22)15(20-17)18-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50322692
PNG
(4-(benzylthio)-6-(cyclohexylmethylamino)-2-(methyl...)
Show SMILES CSc1nc(NCC2CCCCC2)c(C(O)=O)c(SCc2ccccc2)n1
Show InChI InChI=1S/C20H25N3O2S2/c1-26-20-22-17(21-12-14-8-4-2-5-9-14)16(19(24)25)18(23-20)27-13-15-10-6-3-7-11-15/h3,6-7,10-11,14H,2,4-5,8-9,12-13H2,1H3,(H,24,25)(H,21,22,23)
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n/an/an/an/a 300n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)		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 mouse PPARgamma-LBD expressed in CHO-K1 cells co-transfected with GAL4 assessed as luciferase activity by transactivation...

J Med Chem 53: 5012-24 (2010)


Article DOI: 10.1021/jm100443s
BindingDB Entry DOI: 10.7270/Q24J0G3H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%