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PubMed code 12672231

Compile data set for download or QSAR
Found 18 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


(Homo sapiens (Human))		BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28798
PNG
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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/a 440n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28798
PNG
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		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 7.40E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50126701
PNG
(2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-...)
Show SMILES CCO[C@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		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>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50126701
PNG
(2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-...)
Show SMILES CCO[C@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligand

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50100442
PNG
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
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n/an/an/an/a 880n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for human Peroxisome proliferator activated receptor gamma

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28798
PNG
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50100442
PNG
(2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...)
Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
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n/an/an/an/a 150n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(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/an/a 1.00E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for human Peroxisome proliferator activated receptor gamma

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28798
PNG
((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
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n/an/an/an/a 1.30E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for human Peroxisome proliferator activated receptor gamma

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50109551
PNG
((2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-10-YL)ETHOXY...)
Show SMILES CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc23)cc1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for Peroxisome proliferator activated receptor alpha

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(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/an/a 800n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Agonistic activity of the compound for human Peroxisome proliferator activated receptor gamma

J Med Chem 46: 1306-17 (2003)


Article DOI: 10.1021/jm021027r
BindingDB Entry DOI: 10.7270/Q2P55MWJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%