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PubMed code 21506278

Compile data set for download or QSAR
Found 23 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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124215
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C37H26Br2F4N4O7P2/c38-29-16-23-11-10-21(14-25(23)15-27(29)36(40,41)55(49,50)51)19-35(34(48)22-6-2-1-3-7-22,47-33-9-5-4-8-31(33)45-46-47)20-26-13-12-24-17-30(39)28(18-32(24)44-26)37(42,43)56(52,53)54/h1-18H,19-20H2,(H2,49,50,51)(H2,52,53,54)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124221
PNG
(({2-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)
Show SMILES NS(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C36H25Br2F4N6O5PS/c37-27-14-21-10-12-23(44-30(21)16-25(27)35(39,40)54(50,51)52)18-34(33(49)20-6-2-1-3-7-20,48-32-9-5-4-8-29(32)46-47-48)19-24-13-11-22-15-28(38)26(17-31(22)45-24)36(41,42)55(43)53/h1-17H,18-19,43H2,(H2,50,51,52)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124216
PNG
(({7-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)
Show SMILES NS(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C38H27Br2F4N4O5PS/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)54(50,51)52)20-36(35(49)24-6-2-1-3-7-24,48-34-9-5-4-8-33(34)46-47-48)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)55(45)53/h1-19H,20-21,45H2,(H2,50,51,52)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124220
PNG
(({2-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C36H25Br2F4N5O7P2/c37-27-14-21-10-12-23(43-30(21)16-25(27)35(39,40)55(49,50)51)18-34(33(48)20-6-2-1-3-7-20,47-32-9-5-4-8-29(32)45-46-47)19-24-13-11-22-15-28(38)26(17-31(22)44-24)36(41,42)56(52,53)54/h1-17H,18-19H2,(H2,49,50,51)(H2,52,53,54)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50362181
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C38H27Br2F4N3O7P2/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)55(49,50)51)20-36(35(48)24-6-2-1-3-7-24,47-34-9-5-4-8-33(34)45-46-47)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)56(52,53)54/h1-19H,20-21H2,(H2,49,50,51)(H2,52,53,54)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124217
PNG
(({7-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)
Show SMILES NS(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C37H26Br2F4N5O5PS/c38-29-16-23-11-10-21(14-25(23)15-27(29)36(40,41)54(50,51)52)19-35(34(49)22-6-2-1-3-7-22,48-33-9-5-4-8-31(33)46-47-48)20-26-13-12-24-17-30(39)28(18-32(24)45-26)37(42,43)55(44)53/h1-18H,19-20,44H2,(H2,50,51,52)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124211
PNG
(({7-[2-({4-[(aminosulfinyl)difluoromethyl]-3-bromo...)
Show SMILES NS(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br
Show InChI InChI=1S/C34H25Br2F4N4O5PS/c35-27-15-21(11-13-25(27)34(39,40)51(41)49)19-32(31(45)22-6-2-1-3-7-22,44-30-9-5-4-8-29(30)42-43-44)18-20-10-12-23-17-28(36)26(16-24(23)14-20)33(37,38)50(46,47)48/h1-17H,18-19,41H2,(H2,46,47,48)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124209
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({3-bromo-4-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br
Show InChI InChI=1S/C34H25Br2F4N3O7P2/c35-27-15-21(11-13-25(27)33(37,38)51(45,46)47)19-32(31(44)22-6-2-1-3-7-22,43-30-9-5-4-8-29(30)41-42-43)18-20-10-12-23-17-28(36)26(16-24(23)14-20)34(39,40)52(48,49)50/h1-17H,18-19H2,(H2,45,46,47)(H2,48,49,50)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124218
PNG
(({2-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({3-bromo-4-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3n2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br
Show InChI InChI=1S/C33H24Br2F4N4O7P2/c34-25-14-19(10-13-23(25)32(36,37)51(45,46)47)17-31(30(44)20-6-2-1-3-7-20,43-29-9-5-4-8-27(29)41-42-43)18-22-12-11-21-15-26(35)24(16-28(21)40-22)33(38,39)52(48,49)50/h1-16H,17-18H2,(H2,45,46,47)(H2,48,49,50)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124219
PNG
(({2-[2-({4-[(aminosulfinyl)difluoromethyl]-3-bromo...)
Show SMILES NS(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3n2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br
Show InChI InChI=1S/C33H24Br2F4N5O5PS/c34-25-14-19(10-13-23(25)33(38,39)51(40)49)17-31(30(45)20-6-2-1-3-7-20,44-29-9-5-4-8-27(29)42-43-44)18-22-12-11-21-15-26(35)24(16-28(21)41-22)32(36,37)50(46,47)48/h1-16H,17-18,40H2,(H2,46,47,48)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124208
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({4-[difluor...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1
Show InChI InChI=1S/C34H26BrF4N3O7P2/c35-28-18-24-13-10-22(16-25(24)17-27(28)34(38,39)51(47,48)49)20-32(31(43)23-6-2-1-3-7-23,42-30-9-5-4-8-29(30)40-41-42)19-21-11-14-26(15-12-21)33(36,37)50(44,45)46/h1-18H,19-20H2,(H2,44,45,46)(H2,47,48,49)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM124221
PNG
(({2-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)
Show SMILES NS(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C36H25Br2F4N6O5PS/c37-27-14-21-10-12-23(44-30(21)16-25(27)35(39,40)54(50,51)52)18-34(33(49)20-6-2-1-3-7-20,48-32-9-5-4-8-29(32)46-47-48)19-24-13-11-22-15-28(38)26(17-31(22)45-24)36(41,42)55(43)53/h1-17H,18-19,43H2,(H2,50,51,52)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM124215
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C37H26Br2F4N4O7P2/c38-29-16-23-11-10-21(14-25(23)15-27(29)36(40,41)55(49,50)51)19-35(34(48)22-6-2-1-3-7-22,47-33-9-5-4-8-31(33)45-46-47)20-26-13-12-24-17-30(39)28(18-32(24)44-26)37(42,43)56(52,53)54/h1-18H,19-20H2,(H2,49,50,51)(H2,52,53,54)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM124220
PNG
(({2-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C36H25Br2F4N5O7P2/c37-27-14-21-10-12-23(43-30(21)16-25(27)35(39,40)55(49,50)51)18-34(33(48)20-6-2-1-3-7-20,47-32-9-5-4-8-29(32)45-46-47)19-24-13-11-22-15-28(38)26(17-31(22)44-24)36(41,42)56(52,53)54/h1-17H,18-19H2,(H2,49,50,51)(H2,52,53,54)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM124217
PNG
(({7-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)
Show SMILES NS(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C37H26Br2F4N5O5PS/c38-29-16-23-11-10-21(14-25(23)15-27(29)36(40,41)54(50,51)52)19-35(34(49)22-6-2-1-3-7-22,48-33-9-5-4-8-31(33)46-47-48)20-26-13-12-24-17-30(39)28(18-32(24)45-26)37(42,43)55(44)53/h1-18H,19-20,44H2,(H2,50,51,52)
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Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM124211
PNG
(({7-[2-({4-[(aminosulfinyl)difluoromethyl]-3-bromo...)
Show SMILES NS(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br
Show InChI InChI=1S/C34H25Br2F4N4O5PS/c35-27-15-21(11-13-25(27)34(39,40)51(41)49)19-32(31(45)22-6-2-1-3-7-22,44-30-9-5-4-8-29(30)42-43-44)18-20-10-12-23-17-28(36)26(16-24(23)14-20)33(37,38)50(46,47)48/h1-17H,18-19,41H2,(H2,46,47,48)
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n/an/a 192n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM124209
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({3-bromo-4-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br
Show InChI InChI=1S/C34H25Br2F4N3O7P2/c35-27-15-21(11-13-25(27)33(37,38)51(45,46)47)19-32(31(44)22-6-2-1-3-7-22,43-30-9-5-4-8-29(30)41-42-43)18-20-10-12-23-17-28(36)26(16-24(23)14-20)34(39,40)52(48,49)50/h1-17H,18-19H2,(H2,45,46,47)(H2,48,49,50)
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n/an/a 201n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124210
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({4-bromo-3-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)ccc1Br
Show InChI InChI=1S/C34H25Br2F4N3O7P2/c35-27-13-11-21(15-25(27)33(37,38)51(45,46)47)19-32(31(44)22-6-2-1-3-7-22,43-30-9-5-4-8-29(30)41-42-43)18-20-10-12-23-17-28(36)26(16-24(23)14-20)34(39,40)52(48,49)50/h1-17H,18-19H2,(H2,45,46,47)(H2,48,49,50)
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n/an/a 404n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM124216
PNG
(({7-[2-({7-[(aminosulfinyl)difluoromethyl]-6-bromo...)
Show SMILES NS(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C38H27Br2F4N4O5PS/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)54(50,51)52)20-36(35(49)24-6-2-1-3-7-24,48-34-9-5-4-8-33(34)46-47-48)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)55(45)53/h1-19H,20-21,45H2,(H2,50,51,52)
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n/an/a 480n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50362181
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc4cc(Br)c(cc4c3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C38H27Br2F4N3O7P2/c39-31-18-25-12-10-22(14-27(25)16-29(31)37(41,42)55(49,50)51)20-36(35(48)24-6-2-1-3-7-24,47-34-9-5-4-8-33(34)45-46-47)21-23-11-13-26-19-32(40)30(17-28(26)15-23)38(43,44)56(52,53)54/h1-19H,20-21H2,(H2,49,50,51)(H2,52,53,54)
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n/an/a 580n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124214
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-{[3-fluoro-4...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc(C4CC(=O)NS4(=O)=O)c(F)c3)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C36H27BrF3N4O7PS/c37-28-17-24-12-10-21(14-25(24)16-27(28)36(39,40)52(47,48)49)19-35(34(46)23-6-2-1-3-7-23,44-31-9-5-4-8-30(31)41-43-44)20-22-11-13-26(29(38)15-22)32-18-33(45)42-53(32,50)51/h1-17,32H,18-20H2,(H,42,45)(H2,47,48,49)
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n/an/a 919n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124213
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-{[3-methyl-4...)
Show SMILES Cc1cc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)ccc1C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C37H30BrF2N4O7PS/c1-22-15-23(12-14-28(22)33-19-34(45)42-53(33,50)51)20-36(35(46)25-7-3-2-4-8-25,44-32-10-6-5-9-31(32)41-43-44)21-24-11-13-26-18-30(38)29(17-27(26)16-24)37(39,40)52(47,48)49/h2-18,33H,19-21H2,1H3,(H,42,45)(H2,47,48,49)
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n/an/a 924n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM124212
PNG
(({7-[2-(1H-1,2,3-benzotriazol-1-yl)-3-oxo-3-phenyl...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(CC(Cc3ccc(cc3)C3CC(=O)NS3(=O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br
Show InChI InChI=1S/C36H28BrF2N4O7PS/c37-29-18-26-15-12-23(16-27(26)17-28(29)36(38,39)51(46,47)48)21-35(34(45)25-6-2-1-3-7-25,43-31-9-5-4-8-30(31)40-42-43)20-22-10-13-24(14-11-22)32-19-33(44)41-52(32,49)50/h1-18,32H,19-21H2,(H,41,44)(H2,46,47,48)
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n/an/a 930n/an/an/an/an/an/a



Zydus Research Centre



Assay Description
The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...

ChemMedChem 6: 1011-6 (2011)


Article DOI: 10.1002/cmdc.201100077
BindingDB Entry DOI: 10.7270/Q2XW4HGZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%