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PubMed code 22381357

Compile data set for download or QSAR
Found 41 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))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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PubMed
1.20E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379831
PNG
(CHEMBL2011699)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-12-14-24(15-13-23)35-30-36(19-21-6-10-22(11-7-21)29(38)39)28(37)27(41-30)18-20-8-16-26(17-9-20)40-25-4-2-1-3-5-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379829
PNG
(CHEMBL2011702)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H19F3N2O3S/c30-29(31,32)23-11-13-24(14-12-23)33-28-34(17-18-5-9-21(10-6-18)27(36)37)26(35)25(38-28)16-19-7-8-20-3-1-2-4-22(20)15-19/h1-16H,17H2,(H,36,37)/b25-16-,33-28-
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379827
PNG
(CHEMBL2011704)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-17-13-24(14-18-25)32-31-33(20-22-7-11-23(12-8-22)30(35)36)29(34)28(39-31)19-21-9-15-27(16-10-21)38-26-5-3-2-4-6-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379834
PNG
(CHEMBL2011706)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-17-13-26(14-18-27)33-32-34(20-23-7-11-25(12-8-23)31(36)37)30(35)29(40-32)19-22-9-15-28(16-10-22)39-21-24-5-3-2-4-6-24/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379826
PNG
(CHEMBL2011705)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-16-14-26(15-17-27)33-32-34(20-22-10-12-25(13-11-22)31(36)37)30(35)29(40-32)19-24-8-5-9-28(18-24)39-21-23-6-3-2-4-7-23/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
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379830
PNG
(CHEMBL2011700)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-13-15-26(16-14-25)36-31-37(19-21-9-11-24(12-10-21)30(39)40)29(38)28(42-31)18-23-7-4-8-27(17-23)41-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379829
PNG
(CHEMBL2011702)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H19F3N2O3S/c30-29(31,32)23-11-13-24(14-12-23)33-28-34(17-18-5-9-21(10-6-18)27(36)37)26(35)25(38-28)16-19-7-8-20-3-1-2-4-22(20)15-19/h1-16H,17H2,(H,36,37)/b25-16-,33-28-
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379834
PNG
(CHEMBL2011706)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-17-13-26(14-18-27)33-32-34(20-23-7-11-25(12-8-23)31(36)37)30(35)29(40-32)19-22-9-15-28(16-10-22)39-21-24-5-3-2-4-6-24/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379827
PNG
(CHEMBL2011704)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-17-13-24(14-18-25)32-31-33(20-22-7-11-23(12-8-22)30(35)36)29(34)28(39-31)19-21-9-15-27(16-10-21)38-26-5-3-2-4-6-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379831
PNG
(CHEMBL2011699)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-12-14-24(15-13-23)35-30-36(19-21-6-10-22(11-7-21)29(38)39)28(37)27(41-30)18-20-8-16-26(17-9-20)40-25-4-2-1-3-5-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379833
PNG
(CHEMBL2011707)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379834
PNG
(CHEMBL2011706)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-17-13-26(14-18-27)33-32-34(20-23-7-11-25(12-8-23)31(36)37)30(35)29(40-32)19-22-9-15-28(16-10-22)39-21-24-5-3-2-4-6-24/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
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379834
PNG
(CHEMBL2011706)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-17-13-26(14-18-27)33-32-34(20-23-7-11-25(12-8-23)31(36)37)30(35)29(40-32)19-22-9-15-28(16-10-22)39-21-24-5-3-2-4-6-24/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 9.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379826
PNG
(CHEMBL2011705)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-16-14-26(15-17-27)33-32-34(20-22-10-12-25(13-11-22)31(36)37)30(35)29(40-32)19-24-8-5-9-28(18-24)39-21-23-6-3-2-4-7-23/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379832
PNG
(CHEMBL2011698)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50379828
PNG
(CHEMBL2011703)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-16-14-24(15-17-25)32-31-33(20-21-10-12-23(13-11-21)30(35)36)29(34)28(39-31)19-22-6-5-9-27(18-22)38-26-7-3-2-4-8-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant PTP1B expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Line-Weav...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379827
PNG
(CHEMBL2011704)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-17-13-24(14-18-25)32-31-33(20-22-7-11-23(12-8-22)30(35)36)29(34)28(39-31)19-21-9-15-27(16-10-21)38-26-5-3-2-4-6-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379833
PNG
(CHEMBL2011707)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379826
PNG
(CHEMBL2011705)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-16-14-26(15-17-27)33-32-34(20-22-10-12-25(13-11-22)31(36)37)30(35)29(40-32)19-24-8-5-9-28(18-24)39-21-23-6-3-2-4-7-23/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 1.16E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379833
PNG
(CHEMBL2011707)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379830
PNG
(CHEMBL2011700)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-13-15-26(16-14-25)36-31-37(19-21-9-11-24(12-10-21)30(39)40)29(38)28(42-31)18-23-7-4-8-27(17-23)41-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379828
PNG
(CHEMBL2011703)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-16-14-24(15-17-25)32-31-33(20-21-10-12-23(13-11-21)30(35)36)29(34)28(39-31)19-22-6-5-9-27(18-22)38-26-7-3-2-4-8-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379832
PNG
(CHEMBL2011698)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF1 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379829
PNG
(CHEMBL2011702)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H19F3N2O3S/c30-29(31,32)23-11-13-24(14-12-23)33-28-34(17-18-5-9-21(10-6-18)27(36)37)26(35)25(38-28)16-19-7-8-20-3-1-2-4-22(20)15-19/h1-16H,17H2,(H,36,37)/b25-16-,33-28-
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n/an/a 1.52E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379831
PNG
(CHEMBL2011699)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-12-14-24(15-13-23)35-30-36(19-21-6-10-22(11-7-21)29(38)39)28(37)27(41-30)18-20-8-16-26(17-9-20)40-25-4-2-1-3-5-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379826
PNG
(CHEMBL2011705)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H26N2O5S/c1-38-27-16-14-26(15-17-27)33-32-34(20-22-10-12-25(13-11-22)31(36)37)30(35)29(40-32)19-24-8-5-9-28(18-24)39-21-23-6-3-2-4-7-23/h2-19H,20-21H2,1H3,(H,36,37)/b29-19-,33-32-
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n/an/a 1.75E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379827
PNG
(CHEMBL2011704)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-17-13-24(14-18-25)32-31-33(20-22-7-11-23(12-8-22)30(35)36)29(34)28(39-31)19-21-9-15-27(16-10-21)38-26-5-3-2-4-6-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379829
PNG
(CHEMBL2011702)
Show SMILES OC(=O)c1ccc(CN2\C(S\C(=C/c3ccc4ccccc4c3)C2=O)=N\c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C29H19F3N2O3S/c30-29(31,32)23-11-13-24(14-12-23)33-28-34(17-18-5-9-21(10-6-18)27(36)37)26(35)25(38-28)16-19-7-8-20-3-1-2-4-22(20)15-19/h1-16H,17H2,(H,36,37)/b25-16-,33-28-
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n/an/a 2.02E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379828
PNG
(CHEMBL2011703)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-16-14-24(15-17-25)32-31-33(20-21-10-12-23(13-11-21)30(35)36)29(34)28(39-31)19-22-6-5-9-27(18-22)38-26-7-3-2-4-8-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 2.05E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379832
PNG
(CHEMBL2011698)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a 2.06E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379828
PNG
(CHEMBL2011703)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H24N2O5S/c1-37-25-16-14-24(15-17-25)32-31-33(20-21-10-12-23(13-11-21)30(35)36)29(34)28(39-31)19-22-6-5-9-27(18-22)38-26-7-3-2-4-8-26/h2-19H,20H2,1H3,(H,35,36)/b28-19-,32-31-
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n/an/a 2.18E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379825
PNG
(CHEMBL2011701)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-12-14-26(15-13-25)36-31-37(19-22-6-10-24(11-7-22)30(39)40)29(38)28(42-31)18-21-8-16-27(17-9-21)41-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a 2.54E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379833
PNG
(CHEMBL2011707)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc3ccccc3c2)C(=O)N1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H22N2O4S/c1-35-25-14-12-24(13-15-25)30-29-31(18-19-6-10-22(11-7-19)28(33)34)27(32)26(36-29)17-20-8-9-21-4-2-3-5-23(21)16-20/h2-17H,18H2,1H3,(H,33,34)/b26-17-,30-29-
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379831
PNG
(CHEMBL2011699)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-12-14-24(15-13-23)35-30-36(19-21-6-10-22(11-7-21)29(38)39)28(37)27(41-30)18-20-8-16-26(17-9-20)40-25-4-2-1-3-5-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a 3.32E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50379830
PNG
(CHEMBL2011700)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-13-15-26(16-14-25)36-31-37(19-21-9-11-24(12-10-21)30(39)40)29(38)28(42-31)18-23-7-4-8-27(17-23)41-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379830
PNG
(CHEMBL2011700)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-13-15-26(16-14-25)36-31-37(19-21-9-11-24(12-10-21)30(39)40)29(38)28(42-31)18-23-7-4-8-27(17-23)41-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50379832
PNG
(CHEMBL2011698)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H21F3N2O4S/c32-31(33,34)23-13-15-24(16-14-23)35-30-36(19-20-9-11-22(12-10-20)29(38)39)28(37)27(41-30)18-21-5-4-8-26(17-21)40-25-6-2-1-3-7-25/h1-18H,19H2,(H,38,39)/b27-18-,35-30-
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of GST-tagged human recombinant LMW-PTP IF2 expressed in Escherichia coli TB1 using p-nitrophenylphosphate as substrate by Lin...


Eur J Med Chem 50: 332-43 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.012
BindingDB Entry DOI: 10.7270/Q2DN461B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%