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Compile Data Set for Download or QSAR

Found 29 hits from Aristotle University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24524
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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PubMed
1.17E+4 -6.72n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24516
PNG
((2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)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)/b11-8+
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1.17E+4 -6.72n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24523
PNG
((2E,5E)-2-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]im...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)C23CC4CC(CC(C4)C2)C3)ccc1O
Show InChI InChI=1S/C24H25N3O3S2/c1-30-18-7-13(2-3-17(18)28)8-19-21(29)26-23(32-19)27-22-25-20(12-31-22)24-9-14-4-15(10-24)6-16(5-14)11-24/h2-3,7-8,12,14-16,28H,4-6,9-11H2,1H3,(H,25,26,27,29)/b19-8+
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1.23E+4 -6.69n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24526
PNG
((2E,5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylid...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccc(cc3s2)[N+]([O-])=O)cc(OC)c1O
Show InChI InChI=1S/C19H14N4O6S2/c1-28-12-5-9(6-13(29-2)16(12)24)7-15-17(25)21-19(31-15)22-18-20-11-4-3-10(23(26)27)8-14(11)30-18/h3-8,24H,1-2H3,(H,20,21,22,25)/b15-7+
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1.29E+4 -6.67n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24527
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-nitro...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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1.62E+4 -6.53n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24525
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-hydro...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc(OC)c1O
Show InChI InChI=1S/C19H15N3O4S2/c1-25-12-7-10(8-13(26-2)16(12)23)9-15-17(24)21-19(28-15)22-18-20-11-5-3-4-6-14(11)27-18/h3-9,23H,1-2H3,(H,20,21,22,24)/b15-9+
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1.81E+4 -6.47n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24529
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...)
Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1
Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+
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2.28E+4 -6.33n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24515
PNG
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)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)/b11-7+
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PubMed
2.56E+4 -6.26n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24528
PNG
((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(3-nitro...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)c1
Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+
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2.87E+4 -6.19n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24521
PNG
((2E,5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1
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)/b10-7+
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3.23E+4 -6.12n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24519
PNG
((2E,5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)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)/b10-7+
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5.45E+4 -5.81n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24530
PNG
((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-hydro...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O
Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-17(23)20-18(25-15)19-16-11-4-2-3-5-14(11)26-21-16/h2-9,22H,1H3,(H,19,20,21,23)/b15-9+
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PubMed
9.08E+4 -5.51n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24522
PNG
((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...)
Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)ccc1O
Show InChI InChI=1S/C20H15N3O3S2/c1-26-16-9-12(7-8-15(16)24)10-17-18(25)22-20(28-17)23-19-21-14(11-27-19)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,21,22,23,25)/b17-10+
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1.03E+5 -5.43n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24513
PNG
((2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-th...)
Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)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)/b10-7+
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3.88E+5 -4.65n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24517
PNG
((2E,5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thia...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)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)/b10-7+
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4.74E+5 -4.53n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24518
PNG
((2E,5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thia...)
Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)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)/b10-7+
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PubMed
5.48E+5 -4.45n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase SHP-2 (SHP-2)


(Homo sapiens (human))
BDBM24520
PNG
((2E,5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thi...)
Show SMILES Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)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)/b10-7+
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PubMed
1.09E+6 -4.04n/an/an/an/an/a7.025



Aristotle University



Assay Description
SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...


J Med Chem 51: 5221-8 (2008)


Article DOI: 10.1021/jm8004306
BindingDB Entry DOI: 10.7270/Q2251GGD
More data for this
Ligand-Target Pair
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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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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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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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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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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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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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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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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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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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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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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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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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