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Compile Data Set for Download or QSAR

Found 764 hits Enz. Inhib. hit(s) with Target = 'Protein-Tyrosine Phosphatase SHP-2'   
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
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25132
PNG
((2E)-3-{3-chloro-4-[4-hydroxy-3-(2-methyl-1,3-dith...)
Show SMILES CC1(SCCCS1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C20H19ClO3S2/c1-20(25-9-2-10-26-20)16-12-14(5-7-18(16)22)15-6-3-13(11-17(15)21)4-8-19(23)24/h3-8,11-12,22H,2,9-10H2,1H3,(H,23,24)/b8-4+
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Article
PubMed
n/an/a 1.02E+4n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25131
PNG
((2E)-3-{3-chloro-4-[3-(3,5-dimethyladamantan-1-yl)...)
Show SMILES CC12CC3CC(C)(C1)CC(C3)(C2)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C27H29ClO3/c1-25-11-18-12-26(2,14-25)16-27(13-18,15-25)21-10-19(5-7-23(21)29)20-6-3-17(9-22(20)28)4-8-24(30)31/h3-10,18,29H,11-16H2,1-2H3,(H,30,31)/b8-4+
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PubMed
n/an/a 2.27E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25130
PNG
((2E)-3-{3-chloro-4-[4-hydroxy-3-(1-methylcyclohexy...)
Show SMILES CC1(CCCCC1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C22H23ClO3/c1-22(11-3-2-4-12-22)18-14-16(7-9-20(18)24)17-8-5-15(13-19(17)23)6-10-21(25)26/h5-10,13-14,24H,2-4,11-12H2,1H3,(H,25,26)/b10-6+
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PubMed
n/an/a 6.40E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25129
PNG
((2E)-3-[3-chloro-4-(4-hydroxy-3-{tricyclo[3.3.1.0^...)
Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC1CC(C2)C3
Show InChI InChI=1S/C24H23ClO3/c25-21-10-14(2-6-23(27)28)1-4-19(21)17-3-5-22(26)20(11-17)24-12-15-7-16(13-24)9-18(24)8-15/h1-6,10-11,15-16,18,26H,7-9,12-13H2,(H,27,28)/b6-2+
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n/an/a 3.91E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25128
PNG
((2E)-3-{3-chloro-4-[3-(2,6-dimethylphenyl)-4-hydro...)
Show SMILES Cc1cccc(C)c1-c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C23H19ClO3/c1-14-4-3-5-15(2)23(14)19-13-17(8-10-21(19)25)18-9-6-16(12-20(18)24)7-11-22(26)27/h3-13,25H,1-2H3,(H,26,27)/b11-7+
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n/an/a 1.99E+4n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25133
PNG
((2E)-3-{3-chloro-4-[3-(3-ethylpentan-3-yl)-4-hydro...)
Show SMILES CCC(CC)(CC)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C22H25ClO3/c1-4-22(5-2,6-3)18-14-16(9-11-20(18)24)17-10-7-15(13-19(17)23)8-12-21(25)26/h7-14,24H,4-6H2,1-3H3,(H,25,26)/b12-8+
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PubMed
n/an/a 5.37E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25126
PNG
((2E)-3-[3-chloro-4-(4-fluorophenyl)phenyl]prop-2-e...)
Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C15H10ClFO2/c16-14-9-10(2-8-15(18)19)1-7-13(14)11-3-5-12(17)6-4-11/h1-9H,(H,18,19)/b8-2+
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n/an/a 5.00E+5n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25125
PNG
((2E)-3-{4-[3-(adamantan-1-yl)-4-fluorophenyl]-3-ch...)
Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)c(c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H24ClFO2/c26-22-10-15(2-6-24(28)29)1-4-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18H,7-9,12-14H2,(H,28,29)/b6-2+
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n/an/a 2.11E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25124
PNG
((2E)-3-{4-[3-(adamantan-1-yl)-4-aminophenyl]-3-chl...)
Show SMILES Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C25H26ClNO2/c26-22-10-15(2-6-24(28)29)1-4-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18H,7-9,12-14,27H2,(H,28,29)/b6-2+
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n/an/a 1.83E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25123
PNG
((2E)-3-{4-[3-(adamantan-1-yl)-4-acetamidophenyl]-3...)
Show SMILES CC(=O)Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C27H28ClNO3/c1-16(30)29-25-6-4-21(22-5-2-17(11-24(22)28)3-7-26(31)32)12-23(25)27-13-18-8-19(14-27)10-20(9-18)15-27/h2-7,11-12,18-20H,8-10,13-15H2,1H3,(H,29,30)(H,31,32)/b7-3+
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n/an/a 4.55E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25122
PNG
((2E)-3-{4-[3-(adamantan-1-yl)-4-hydroxyphenyl]-3-c...)
Show SMILES OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C25H25ClO3/c26-22-10-15(2-6-24(28)29)1-4-20(22)19-3-5-23(27)21(11-19)25-12-16-7-17(13-25)9-18(8-16)14-25/h1-6,10-11,16-18,27H,7-9,12-14H2,(H,28,29)/b6-2+
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n/an/a 2.10E+3n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM25127
PNG
((2E)-3-{3-chloro-4-[3-(3,3-dimethylbut-1-yn-1-yl)-...)
Show SMILES CC(C)(C)C#Cc1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl
Show InChI InChI=1S/C21H19ClO3/c1-21(2,3)11-10-16-13-15(6-8-19(16)23)17-7-4-14(12-18(17)22)5-9-20(24)25/h4-9,12-13,23H,1-3H3,(H,24,25)/b9-5+
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n/an/a 450n/an/an/an/a6.030



Burnham Institute for Medical Research



Assay Description
The phosphatase-catalyzed hydrolysis of 6,8-difluoro-4-methylumbelliferyl phosphate was assayed in the presence of each test compound. The fluorescen...


J Med Chem 51: 5650-62 (2008)


Article DOI: 10.1021/jm800456k
BindingDB Entry DOI: 10.7270/Q24T6GNQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(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 -28.1n/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
Tyrosine-protein phosphatase non-receptor type 11


(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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1.17E+4 -28.1n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -28.0n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -27.9n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -27.3n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -27.1n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -26.5n/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
Tyrosine-protein phosphatase non-receptor type 11


(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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2.56E+4 -26.2n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -25.9n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -25.6n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -24.3n/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
Tyrosine-protein phosphatase non-receptor type 11


(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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9.08E+4 -23.1n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -22.8n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -19.5n/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
Tyrosine-protein phosphatase non-receptor type 11


(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 -19.0n/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
Tyrosine-protein phosphatase non-receptor type 11


(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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5.48E+5 -18.6n/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
Tyrosine-protein phosphatase non-receptor type 11


(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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1.09E+6 -16.9n/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


(Homo sapiens (human))
BDBM24553
PNG
(3-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H16ClF3N4O5S/c24-18-6-4-12(8-17(18)23(25,26)27)11-28-37(35,36)15-5-7-19-16(10-15)20(21(32)29-19)31-30-14-3-1-2-13(9-14)22(33)34/h1-10,28,30H,11H2,(H,33,34)(H,29,31,32)
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n/an/a 1.06E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24552
PNG
(4-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O5S/c24-18-7-1-12(9-17(18)23(25,26)27)11-28-37(35,36)15-6-8-19-16(10-15)20(21(32)29-19)31-30-14-4-2-13(3-5-14)22(33)34/h1-10,28,30H,11H2,(H,33,34)(H,29,31,32)
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n/an/a 8.30E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24551
PNG
(3-{2-[(3Z)-5-{[2-(2,4-dichlorophenyl)ethyl]sulfamo...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCCc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C23H18Cl2N4O5S/c24-15-5-4-13(19(25)11-15)8-9-26-35(33,34)17-6-7-20-18(12-17)21(22(30)27-20)29-28-16-3-1-2-14(10-16)23(31)32/h1-7,10-12,26,28H,8-9H2,(H,31,32)(H,27,29,30)
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n/an/a 5.20E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24550
PNG
(3-{2-[(3Z)-5-{[(3-chloro-4-fluorophenyl)methyl]sul...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H16ClFN4O5S/c23-17-8-12(4-6-18(17)24)11-25-34(32,33)15-5-7-19-16(10-15)20(21(29)26-19)28-27-14-3-1-2-13(9-14)22(30)31/h1-10,25,27H,11H2,(H,30,31)(H,26,28,29)
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n/an/a 4.80E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24549
PNG
(4-{2-[(3Z)-5-{[(4-fluorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H17FN4O5S/c23-15-5-1-13(2-6-15)12-24-33(31,32)17-9-10-19-18(11-17)20(21(28)25-19)27-26-16-7-3-14(4-8-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 6.30E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24548
PNG
(3-{2-[(3Z)-5-{[(4-fluorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H17FN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.00E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24547
PNG
(2-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H16ClF3N4O5S/c24-17-7-5-12(9-16(17)23(25,26)27)11-28-37(35,36)13-6-8-18-15(10-13)20(21(32)29-18)31-30-19-4-2-1-3-14(19)22(33)34/h1-10,28,30H,11H2,(H,33,34)(H,29,31,32)
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n/an/a 2.29E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24546
PNG
(3-{2-[(3Z)-5-{[(2-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-18-7-2-1-4-14(18)12-24-33(31,32)16-8-9-19-17(11-16)20(21(28)25-19)27-26-15-6-3-5-13(10-15)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 5.50E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24544
PNG
(4-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-5-1-13(2-6-15)12-24-33(31,32)17-9-10-19-18(11-17)20(21(28)25-19)27-26-16-7-3-14(4-8-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 5.90E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24543
PNG
(3-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.40E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24542
PNG
(3-{2-[(3Z)-5-{[(3-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-5-1-3-13(9-15)12-24-33(31,32)17-7-8-19-18(11-17)20(21(28)25-19)27-26-16-6-2-4-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 3.80E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24541
PNG
(4-{2-[(3Z)-5-(benzylsulfamoyl)-2-oxo-2,3-dihydro-1...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O5S/c27-21-20(26-25-16-8-6-15(7-9-16)22(28)29)18-12-17(10-11-19(18)24-21)32(30,31)23-13-14-4-2-1-3-5-14/h1-12,23,25H,13H2,(H,28,29)(H,24,26,27)
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n/an/a 1.30E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24540
PNG
(3-{2-[(3Z)-5-{[(4-methylphenyl)methyl]sulfamoyl}-2...)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc3NC(=O)C(=NNc4cccc(c4)C(O)=O)c3c2)cc1
Show InChI InChI=1S/C23H20N4O5S/c1-14-5-7-15(8-6-14)13-24-33(31,32)18-9-10-20-19(12-18)21(22(28)25-20)27-26-17-4-2-3-16(11-17)23(29)30/h2-12,24,26H,13H2,1H3,(H,29,30)(H,25,27,28)
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n/an/a 5.00E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24539
PNG
((3Z)-N-[(4-chlorophenyl)methyl]-3-[2-(2-nitropheny...)
Show SMILES [O-][N+](=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN5O5S/c22-14-7-5-13(6-8-14)12-23-33(31,32)15-9-10-17-16(11-15)20(21(28)24-17)26-25-18-3-1-2-4-19(18)27(29)30/h1-11,23,25H,12H2,(H,24,26,28)
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n/an/a 4.40E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24538
PNG
((3Z)-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2-oxo...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccccc3[N+]([O-])=O)c2c1
Show InChI InChI=1S/C14H11N5O5S/c15-25(23,24)8-5-6-10-9(7-8)13(14(20)16-10)18-17-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,15,23,24)(H,16,18,20)
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PubMed
n/an/a 1.19E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24537
PNG
(4-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-7-8-15-14(9-13)16(17(23)19-15)21-20-12-5-3-11(4-6-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
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n/an/a 4.50E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24536
PNG
(3-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-6-7-15-14(9-13)16(17(23)19-15)21-20-12-5-3-4-11(8-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
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n/an/a 4.50E+3n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24535
PNG
(3-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]carbamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H17ClN4O4/c24-16-7-4-13(5-8-16)12-25-21(29)14-6-9-19-18(11-14)20(22(30)26-19)28-27-17-3-1-2-15(10-17)23(31)32/h1-11,27H,12H2,(H,25,29)(H,31,32)(H,26,28,30)
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PubMed
n/an/a 2.23E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24534
PNG
((3Z)-3-[2-(3-carboxyphenyl)hydrazin-1-ylidene]-2-o...)
Show SMILES OC(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C16H11N3O5/c20-14-13(11-7-9(16(23)24)4-5-12(11)17-14)19-18-10-3-1-2-8(6-10)15(21)22/h1-7,18H,(H,21,22)(H,23,24)(H,17,19,20)
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PubMed
n/an/a 1.58E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24533
PNG
((3Z)-3-[2-(2-carboxyphenyl)hydrazin-1-ylidene]-2-o...)
Show SMILES OC(=O)c1ccc2NC(=O)C(=NNc3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C16H11N3O5/c20-14-13(10-7-8(15(21)22)5-6-11(10)17-14)19-18-12-4-2-1-3-9(12)16(23)24/h1-7,18H,(H,21,22)(H,23,24)(H,17,19,20)
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n/an/a 800n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (human))
BDBM24531
PNG
((3Z)-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2-oxo...)
Show SMILES OS([O-])(=O)=c1ccc2[nH+]c(=O)\c(=N/Nc3ccccc3[N+]([O-])=O)c2c1
Show InChI InChI=1S/C14H10N4O6S/c19-14-13(17-16-11-3-1-2-4-12(11)18(20)21)9-7-8(25(22,23)24)5-6-10(9)15-14/h1-7,16H,(H2,22,23,24)/b17-13-
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PubMed
n/an/a 4.68E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
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