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Compile Data Set for Download or QSAR

Found 15 hits with Last Name = 'tasker' and Initial = 'nr'   
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 type IVA 3


(Homo sapiens (Human))
BDBM50535759
PNG
(CHEMBL4471843)
Show SMILES O=C1NC(=O)C(=O)c2sc(cc12)-c1ccccc1
Show InChI InChI=1S/C13H7NO3S/c15-10-11-8(12(16)14-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6H,(H,14,16,17)
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-6-tagged PTP4A3 expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incub...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
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n/an/a 35n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-6-tagged PTP4A3 expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incub...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
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n/an/a 50n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A1 (unknown origin) expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mi...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 2


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
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n/an/a 52n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A2 (unknown origin) expressed in Escherichia coli assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mi...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM50059084
PNG
(CHEMBL3393171 | US10308663, Thienopyridone (5))
Show SMILES Nc1c[nH]c(=O)c2cc(sc12)-c1ccccc1
Show InChI InChI=1S/C13H10N2OS/c14-10-7-15-13(16)9-6-11(17-12(9)10)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16)
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n/an/a 130n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-6-tagged PTP4A3 expressed in Escherichia coli assessed as increase in polarization using TAMRAThr-Ala-Asp-Ile-Tyr...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1


(Homo sapiens (Human))
BDBM50059084
PNG
(CHEMBL3393171 | US10308663, Thienopyridone (5))
Show SMILES Nc1c[nH]c(=O)c2cc(sc12)-c1ccccc1
Show InChI InChI=1S/C13H10N2OS/c14-10-7-15-13(16)9-6-11(17-12(9)10)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16)
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n/an/a 170n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-6-tagged PTP4A1 expressed in Escherichia coli assessed as increase in polarization using TAMRAThr-Ala-Asp-Ile-Tyr...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 2


(Homo sapiens (Human))
BDBM50059084
PNG
(CHEMBL3393171 | US10308663, Thienopyridone (5))
Show SMILES Nc1c[nH]c(=O)c2cc(sc12)-c1ccccc1
Show InChI InChI=1S/C13H10N2OS/c14-10-7-15-13(16)9-6-11(17-12(9)10)8-4-2-1-3-5-8/h1-7H,14H2,(H,15,16)
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n/an/a 280n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-6-tagged PTP4A2 expressed in Escherichia coli assessed as increase in polarization using TAMRAThr-Ala-Asp-Ile-Tyr...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 300n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A3 (unknown origin)


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 2


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 300n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A2 (unknown origin)


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1


(Homo sapiens (Human))
BDBM45440
PNG
(4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydro...)
Show SMILES NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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n/an/a 300n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A1 (unknown origin)


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM50237949
PNG
(2-(5-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)...)
Show SMILES OC(=O)c1ccccc1-c1ccc(C=C2SC(S)=NC2=O)o1 |w:13.13,c:18|
Show InChI InChI=1S/C15H9NO4S2/c17-13-12(22-15(21)16-13)7-8-5-6-11(20-8)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)(H,16,17,21)
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n/an/a 1.33E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP4A3 expressed in Escherichia coli BL21 (DE3) assessed as reduction in hydrolysis using DIFMUP as substrate incubat...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM50535760
PNG
(CHEMBL4466901)
Show SMILES OC(=O)c1cccc(c1)-n1cccc1\C=C1\NC(=S)N(C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H14ClN3O3S/c22-14-5-2-7-17(11-14)25-19(26)18(23-21(25)29)12-16-8-3-9-24(16)15-6-1-4-13(10-15)20(27)28/h1-12H,(H,23,29)(H,27,28)/b18-12+
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n/an/a 1.54E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP4A3 expressed in Escherichia coli BL21 (DE3) assessed as reduction in hydrolysis using DIFMUP as substrate incubat...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 3


(Homo sapiens (Human))
BDBM50237948
PNG
((E)-2-(2-(5-(4-chlorophenyl)furan-2-yl)vinyl)-6-me...)
Show SMILES Clc1ccc(cc1)-c1ccc(\C=C\C2NC(=O)C(C#N)C(=S)N2c2ccccc2)o1
Show InChI InChI=1S/C23H16ClN3O2S/c24-16-8-6-15(7-9-16)20-12-10-18(29-20)11-13-21-26-22(28)19(14-25)23(30)27(21)17-4-2-1-3-5-17/h1-13,19,21H,(H,26,28)/b13-11+
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n/an/a 1.83E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP4A3 expressed in Escherichia coli BL21 (DE3) assessed as reduction in hydrolysis using DIFMUP as substrate incubat...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1


(Homo sapiens (Human))
BDBM50535761
PNG
(CHEMBL4539375)
Show SMILES Cc1cc2CN(Cc2cc1C)c1cccc(c1)C(=O)N\N=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C25H23N3O3/c1-16-10-21-14-28(15-22(21)11-17(16)2)23-5-3-4-20(12-23)24(29)27-26-13-18-6-8-19(9-7-18)25(30)31/h3-13H,14-15H2,1-2H3,(H,27,29)(H,30,31)/b26-13+
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of PTP4A1 (unknown origin)


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM396097
PNG
(US10308663, JMS-631-053)
Show SMILES N=C1c2sc(cc2C(=O)NC1=O)-c1ccccc1
Show InChI InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
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n/an/a>8.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B assessed as reduction in hydrolysis using DIFMUP as substrate incubated for 30 mins in presence of DTT by Fluorescence base...


Bioorg Med Chem Lett 29: 2008-2015 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.048
BindingDB Entry DOI: 10.7270/Q2VH5SBF
More data for this
Ligand-Target Pair