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PubMed code 18311898

Compile data set for download or QSAR
Found 12 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
Lipoxygenase-1


(Glycine max (soybean))
BDBM22340
PNG
((5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thiazol...)
Show SMILES [O-][N+](=O)c1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-2-1-3-9(6-8)17(19)20)22-13(15-11)16-12-14-4-5-21-12/h1-7H,(H,14,15,16,18)
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Article
PubMed
n/an/a 8.91E+4n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22337
PNG
((5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-...)
Show SMILES COc1cc(C=C2SC(Nc3nccs3)=NC2=O)ccc1O
Show InChI InChI=1S/C14H11N3O3S2/c1-20-10-6-8(2-3-9(10)18)7-11-12(19)16-14(22-11)17-13-15-4-5-21-13/h2-7,18H,1H3,(H,15,16,17,19)
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Article
PubMed
n/an/a 9.95E+4n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22343
PNG
((5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thiazo...)
Show SMILES Clc1ccccc1C=C1SC(Nc2nccs2)=NC1=O
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)
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PubMed
n/an/a 1.15E+5n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22335
PNG
((5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-thiaz...)
Show SMILES Oc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-8(2-4-9)7-10-11(18)15-13(20-10)16-12-14-5-6-19-12/h1-7,17H,(H,14,15,16,18)
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PubMed
n/an/a 1.16E+5n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22341
PNG
((5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thiazo...)
Show SMILES Clc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22338
PNG
((5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-thiaz...)
Show SMILES COc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)
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PubMed
n/an/a 1.22E+5n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22342
PNG
((5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thiazo...)
Show SMILES Clc1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)
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Article
PubMed
n/an/a 1.25E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22342
PNG
((5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thiazo...)
Show SMILES Clc1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)
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Article
PubMed
n/an/a 1.26E+5n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22339
PNG
((5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thiazol...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-1-3-9(4-2-8)17(19)20)22-13(15-11)16-12-14-5-6-21-12/h1-7H,(H,14,15,16,18)
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Article
PubMed
n/an/a 1.41E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22335
PNG
((5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-thiaz...)
Show SMILES Oc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-8(2-4-9)7-10-11(18)15-13(20-10)16-12-14-5-6-19-12/h1-7,17H,(H,14,15,16,18)
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Article
PubMed
n/an/a 1.58E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22339
PNG
((5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thiazol...)
Show SMILES [O-][N+](=O)c1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1
Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-1-3-9(4-2-8)17(19)20)22-13(15-11)16-12-14-5-6-21-12/h1-7H,(H,14,15,16,18)
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Article
PubMed
n/an/a 2.51E+5n/an/an/an/a7.428



Aristotle University



Assay Description
The tested compounds were added to the reaction mixture with soybean lipoxygenase. Enzyme reaction was initiated by the addition of sodium linoleate ...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22342
PNG
((5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thiazo...)
Show SMILES Clc1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1
Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)
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Article
PubMed
n/an/a 2.62E+5n/an/an/an/a8.037



Aristotle University



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The ass...


J Med Chem 51: 1601-9 (2008)


Article DOI: 10.1021/jm701496h
BindingDB Entry DOI: 10.7270/Q2JM27XJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%