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Compile Data Set for Download or QSAR

Found 61 hits Enz. Inhib. hit(s) with all data for entry = 50043693   
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 1B


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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500n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444693
PNG
(CHEMBL3098944)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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1.40E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444692
PNG
(CHEMBL3098853)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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1.50E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal pl...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444694
PNG
(CHEMBL3098854)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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1.50E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444696
PNG
(CHEMBL3098942)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)32-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-
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2.30E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed type inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Double reciprocal plo...


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 700n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444697
PNG
(CHEMBL3098857)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccccc2)=C\c2ccc(OCc3ccccc3)c(F)c2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-26-17-23(13-16-27(26)38-20-22-7-3-1-4-8-22)18-28-29(35)34(19-21-11-14-24(15-12-21)30(36)37)31(39-28)33-25-9-5-2-6-10-25/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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n/an/a 800n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444693
PNG
(CHEMBL3098944)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444698
PNG
(CHEMBL3098856)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-28-18-24(14-17-27(28)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444692
PNG
(CHEMBL3098853)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444700
PNG
(CHEMBL3098851)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-25-10-7-13-28(20-25)38-19-18-23-8-3-1-4-9-23)39-32(33-27-11-5-2-6-12-27)34(30)22-24-14-16-26(17-15-24)31(36)37/h1-17,20-21H,18-19,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444697
PNG
(CHEMBL3098857)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccccc2)=C\c2ccc(OCc3ccccc3)c(F)c2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-26-17-23(13-16-27(26)38-20-22-7-3-1-4-8-22)18-28-29(35)34(19-21-11-14-24(15-12-21)30(36)37)31(39-28)33-25-9-5-2-6-10-25/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444696
PNG
(CHEMBL3098942)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)32-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444694
PNG
(CHEMBL3098854)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444697
PNG
(CHEMBL3098857)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccccc2)=C\c2ccc(OCc3ccccc3)c(F)c2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-26-17-23(13-16-27(26)38-20-22-7-3-1-4-8-22)18-28-29(35)34(19-21-11-14-24(15-12-21)30(36)37)31(39-28)33-25-9-5-2-6-10-25/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444694
PNG
(CHEMBL3098854)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444693
PNG
(CHEMBL3098944)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444702
PNG
(CHEMBL3098946)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H21NO6S/c1-32-22-13-19(9-12-21(22)33-16-18-5-3-2-4-6-18)14-23-24(28)27(26(31)34-23)15-17-7-10-20(11-8-17)25(29)30/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444699
PNG
(CHEMBL3098855)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-17-14-24(18-28(27)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444703
PNG
(CHEMBL3098945)
Show SMILES COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
Show InChI InChI=1S/C26H21NO6S/c1-32-21-12-9-19(13-22(21)33-16-18-5-3-2-4-6-18)14-23-24(28)27(26(31)34-23)15-17-7-10-20(11-8-17)25(29)30/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444699
PNG
(CHEMBL3098855)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-17-14-24(18-28(27)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444692
PNG
(CHEMBL3098853)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444698
PNG
(CHEMBL3098856)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-28-18-24(14-17-27(28)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444700
PNG
(CHEMBL3098851)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-25-10-7-13-28(20-25)38-19-18-23-8-3-1-4-9-23)39-32(33-27-11-5-2-6-12-27)34(30)22-24-14-16-26(17-15-24)31(36)37/h1-17,20-21H,18-19,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444702
PNG
(CHEMBL3098946)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H21NO6S/c1-32-22-13-19(9-12-21(22)33-16-18-5-3-2-4-6-18)14-23-24(28)27(26(31)34-23)15-17-7-10-20(11-8-17)25(29)30/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444698
PNG
(CHEMBL3098856)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-28-18-24(14-17-27(28)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444696
PNG
(CHEMBL3098942)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)32-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444705
PNG
(CHEMBL3098941)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-19-9-11-21(12-10-19)25(29)30)16-20-7-4-8-22(15-20)32-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,29,30)/b23-16-
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444701
PNG
(CHEMBL3098850)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)c(F)c3)C2=O)cc1
Show InChI InChI=1S/C25H18FNO5S/c26-20-12-18(8-11-21(20)32-15-17-4-2-1-3-5-17)13-22-23(28)27(25(31)33-22)14-16-6-9-19(10-7-16)24(29)30/h1-13H,14-15H2,(H,29,30)/b22-13-
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444695
PNG
(CHEMBL3098852)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-24-13-17-28(18-14-24)38-20-19-23-7-3-1-4-8-23)39-32(33-27-9-5-2-6-10-27)34(30)22-25-11-15-26(16-12-25)31(36)37/h1-18,21H,19-20,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444699
PNG
(CHEMBL3098855)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-17-14-24(18-28(27)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444705
PNG
(CHEMBL3098941)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-19-9-11-21(12-10-19)25(29)30)16-20-7-4-8-22(15-20)32-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,29,30)/b23-16-
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n/an/a 9.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444698
PNG
(CHEMBL3098856)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C32H26N2O5S/c1-38-28-18-24(14-17-27(28)39-21-23-8-4-2-5-9-23)19-29-30(35)34(20-22-12-15-25(16-13-22)31(36)37)32(40-29)33-26-10-6-3-7-11-26/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444702
PNG
(CHEMBL3098946)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H21NO6S/c1-32-22-13-19(9-12-21(22)33-16-18-5-3-2-4-6-18)14-23-24(28)27(26(31)34-23)15-17-7-10-20(11-8-17)25(29)30/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 1.03E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444694
PNG
(CHEMBL3098854)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444701
PNG
(CHEMBL3098850)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCc4ccccc4)c(F)c3)C2=O)cc1
Show InChI InChI=1S/C25H18FNO5S/c26-20-12-18(8-11-21(20)32-15-17-4-2-1-3-5-17)13-22-23(28)27(25(31)33-22)14-16-6-9-19(10-7-16)24(29)30/h1-13H,14-15H2,(H,29,30)/b22-13-
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n/an/a 1.08E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444693
PNG
(CHEMBL3098944)
Show SMILES COc1cc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-23-15-20(9-12-22(23)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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n/an/a 1.08E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444700
PNG
(CHEMBL3098851)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-25-10-7-13-28(20-25)38-19-18-23-8-3-1-4-9-23)39-32(33-27-11-5-2-6-12-27)34(30)22-24-14-16-26(17-15-24)31(36)37/h1-17,20-21H,18-19,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444703
PNG
(CHEMBL3098945)
Show SMILES COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
Show InChI InChI=1S/C26H21NO6S/c1-32-21-12-9-19(13-22(21)33-16-18-5-3-2-4-6-18)14-23-24(28)27(26(31)34-23)15-17-7-10-20(11-8-17)25(29)30/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 1.27E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444697
PNG
(CHEMBL3098857)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccccc2)=C\c2ccc(OCc3ccccc3)c(F)c2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-26-17-23(13-16-27(26)38-20-22-7-3-1-4-8-22)18-28-29(35)34(19-21-11-14-24(15-12-21)30(36)37)31(39-28)33-25-9-5-2-6-10-25/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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n/an/a 1.55E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50444704
PNG
(CHEMBL3098943)
Show SMILES COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-22-12-9-20(15-23(22)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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n/an/a 1.69E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of TC-PTP (unknown origin) expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444692
PNG
(CHEMBL3098853)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-28-17-14-25(20-29(28)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 1.72E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444694
PNG
(CHEMBL3098854)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccc(cc3)C(O)=O)C2=O)ccc1OCCc1ccccc1
Show InChI InChI=1S/C33H28N2O5S/c1-39-29-20-25(14-17-28(29)40-19-18-23-8-4-2-5-9-23)21-30-31(36)35(22-24-12-15-26(16-13-24)32(37)38)33(41-30)34-27-10-6-3-7-11-27/h2-17,20-21H,18-19,22H2,1H3,(H,37,38)/b30-21-,34-33-
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n/an/a 1.97E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444705
PNG
(CHEMBL3098941)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-19-9-11-21(12-10-19)25(29)30)16-20-7-4-8-22(15-20)32-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,29,30)/b23-16-
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444696
PNG
(CHEMBL3098942)
Show SMILES OC(=O)c1ccc(CN2C(=O)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C26H21NO5S/c28-24-23(33-26(31)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)32-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444703
PNG
(CHEMBL3098945)
Show SMILES COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCc1ccccc1
Show InChI InChI=1S/C26H21NO6S/c1-32-21-12-9-19(13-22(21)33-16-18-5-3-2-4-6-18)14-23-24(28)27(26(31)34-23)15-17-7-10-20(11-8-17)25(29)30/h2-14H,15-16H2,1H3,(H,29,30)/b23-14-
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n/an/a 2.23E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50444704
PNG
(CHEMBL3098943)
Show SMILES COc1ccc(\C=C2/SC(=O)N(Cc3ccc(cc3)C(O)=O)C2=O)cc1OCCc1ccccc1
Show InChI InChI=1S/C27H23NO6S/c1-33-22-12-9-20(15-23(22)34-14-13-18-5-3-2-4-6-18)16-24-25(29)28(27(32)35-24)17-19-7-10-21(11-8-19)26(30)31/h2-12,15-16H,13-14,17H2,1H3,(H,30,31)/b24-16-
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n/an/a 2.46E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50444700
PNG
(CHEMBL3098851)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)=N\c2ccccc2)cc1
Show InChI InChI=1S/C32H26N2O4S/c35-30-29(21-25-10-7-13-28(20-25)38-19-18-23-8-3-1-4-9-23)39-32(33-27-11-5-2-6-12-27)34(30)22-24-14-16-26(17-15-24)31(36)37/h1-17,20-21H,18-19,22H2,(H,36,37)/b29-21-,33-32-
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n/an/a 2.68E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate


Eur J Med Chem 71: 112-27 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.001
BindingDB Entry DOI: 10.7270/Q2VH5Q95
More data for this
Ligand-Target Pair
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