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PubMed code 21503265

Compile data set for download or QSAR
Found 19 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 7


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
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690n/an/an/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant HePTP expressed in Escherichia coli by Michaelis-Menten kinetic analysis


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50378898
PNG
(CHEMBL1672292)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
Show InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50378899
PNG
(CHEMBL1672293)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
Show InChI InChI=1S/C26H24N2O6S2/c1-4-33-25(32)22-15(2)27-26-28(23(22)17-7-11-19(35-3)12-8-17)24(31)20(36-26)13-16-5-9-18(10-6-16)34-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)/b20-13-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50336847
PNG
(2-(4-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
Show InChI InChI=1S/C27H25ClN2O7S/c1-5-36-26(34)22-15(3)29-27-30(23(22)17-8-6-7-9-18(17)28)25(33)20(38-27)12-16-10-14(2)24(19(11-16)35-4)37-13-21(31)32/h6-12,23H,5,13H2,1-4H3,(H,31,32)/b20-12-
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n/an/a 3.70E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50378898
PNG
(CHEMBL1672292)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
Show InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12-
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n/an/a 4.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHR expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50336848
PNG
(2-(4-((6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-me...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
Show InChI InChI=1S/C26H24N2O7S/c1-4-34-25(32)22-15(2)27-26-28(23(22)17-6-5-7-19(13-17)33-3)24(31)20(36-26)12-16-8-10-18(11-9-16)35-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)/b20-12-
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n/an/a 4.60E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50336847
PNG
(2-(4-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
Show InChI InChI=1S/C27H25ClN2O7S/c1-5-36-26(34)22-15(3)29-27-30(23(22)17-8-6-7-9-18(17)28)25(33)20(38-27)12-16-10-14(2)24(19(11-16)35-4)37-13-21(31)32/h6-12,23H,5,13H2,1-4H3,(H,31,32)/b20-12-
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n/an/a 6.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHR expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50378899
PNG
(CHEMBL1672293)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
Show InChI InChI=1S/C26H24N2O6S2/c1-4-33-25(32)22-15(2)27-26-28(23(22)17-7-11-19(35-3)12-8-17)24(31)20(36-26)13-16-5-9-18(10-6-16)34-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)/b20-13-
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n/an/a 8.50E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHR expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50336848
PNG
(2-(4-((6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-me...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
Show InChI InChI=1S/C26H24N2O7S/c1-4-34-25(32)22-15(2)27-26-28(23(22)17-6-5-7-19(13-17)33-3)24(31)20(36-26)12-16-8-10-18(11-9-16)35-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)/b20-12-
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n/an/a 8.90E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHR expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
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n/an/a 1.95E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHR expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM50378899
PNG
(CHEMBL1672293)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(SC)cc1 |c:5,t:8|
Show InChI InChI=1S/C26H24N2O6S2/c1-4-33-25(32)22-15(2)27-26-28(23(22)17-7-11-19(35-3)12-8-17)24(31)20(36-26)13-16-5-9-18(10-6-16)34-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)/b20-13-
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n/an/a 3.20E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP3 expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM50336847
PNG
(2-(4-((5-(2-chlorophenyl)-6-(ethoxycarbonyl)-7-met...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(C)c(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccccc1Cl |c:5,t:8|
Show InChI InChI=1S/C27H25ClN2O7S/c1-5-36-26(34)22-15(3)29-27-30(23(22)17-8-6-7-9-18(17)28)25(33)20(38-27)12-16-10-14(2)24(19(11-16)35-4)37-13-21(31)32/h6-12,23H,5,13H2,1-4H3,(H,31,32)/b20-12-
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n/an/a 3.90E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP3 expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM88776
PNG
(2-[4-[(Z)-[5-(4-chlorophenyl)-6-isopropoxycarbonyl...)
Show SMILES CC(C)OC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:6,t:9|
Show InChI InChI=1S/C26H23ClN2O6S/c1-14(2)35-25(33)22-15(3)28-26-29(23(22)17-6-8-18(27)9-7-17)24(32)20(36-26)12-16-4-10-19(11-5-16)34-13-21(30)31/h4-12,14,23H,13H2,1-3H3,(H,30,31)/b20-12-
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n/an/a 4.20E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP3 expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50336849
PNG
(CHEMBL1672296 | ethyl 7-methyl-3-oxo-5-(thiophen-2...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1 |c:5,t:8|
Show InChI InChI=1S/C24H24N2O6S2/c1-6-32-23(28)19-13(2)25-24-26(20(19)17-8-7-9-33-17)22(27)18(34-24)12-14-10-15(29-3)21(31-5)16(11-14)30-4/h7-12,20H,6H2,1-5H3/b18-12-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HePTP expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50336849
PNG
(CHEMBL1672296 | ethyl 7-methyl-3-oxo-5-(thiophen-2...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1 |c:5,t:8|
Show InChI InChI=1S/C24H24N2O6S2/c1-6-32-23(28)19-13(2)25-24-26(20(19)17-8-7-9-33-17)22(27)18(34-24)12-14-10-15(29-3)21(31-5)16(11-14)30-4/h7-12,20H,6H2,1-5H3/b18-12-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant VHR expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM50336848
PNG
(2-(4-((6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-me...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1cccc(OC)c1 |c:5,t:8|
Show InChI InChI=1S/C26H24N2O7S/c1-4-34-25(32)22-15(2)27-26-28(23(22)17-6-5-7-19(13-17)33-3)24(31)20(36-26)12-16-8-10-18(11-9-16)35-14-21(29)30/h5-13,23H,4,14H2,1-3H3,(H,29,30)/b20-12-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP3 expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM50378898
PNG
(CHEMBL1672292)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(OCC(O)=O)cc3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
Show InChI InChI=1S/C25H21ClN2O6S/c1-3-33-24(32)21-14(2)27-25-28(22(21)16-6-8-17(26)9-7-16)23(31)19(35-25)12-15-4-10-18(11-5-15)34-13-20(29)30/h4-12,22H,3,13H2,1-2H3,(H,29,30)/b19-12-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP3 expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 6


(Homo sapiens (Human))
BDBM50336849
PNG
(CHEMBL1672296 | ethyl 7-methyl-3-oxo-5-(thiophen-2...)
Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1 |c:5,t:8|
Show InChI InChI=1S/C24H24N2O6S2/c1-6-32-23(28)19-13(2)25-24-26(20(19)17-8-7-9-33-17)22(27)18(34-24)12-14-10-15(29-3)21(31-5)16(11-14)30-4/h7-12,20H,6H2,1-5H3/b18-12-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant MKP3 expressed in Escherichia coli


ACS Med Chem Lett 2: 113-118 (2011)


Article DOI: 10.1021/ml100103p
BindingDB Entry DOI: 10.7270/Q2319WWQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%