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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'zabell' and Initial = 'ap'   
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
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326559
PNG
(4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...)
Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24|
Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)
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n/an/a 3.60E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50326557
PNG
((E)-5-((2-hydroxynaphthalen-1-yl)diazenyl)naphthal...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O |w:12.14|
Show InChI InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
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n/an/a 3.90E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326562
PNG
(8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carbox...)
Show SMILES OC(=O)C1CSC2(CCN(CC2)c2ccccc2)N1
Show InChI InChI=1S/C14H18N2O2S/c17-13(18)12-10-19-14(15-12)6-8-16(9-7-14)11-4-2-1-3-5-11/h1-5,12,15H,6-10H2,(H,17,18)
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n/an/a 4.00E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50326559
PNG
(4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...)
Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24|
Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326563
PNG
(2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic a...)
Show SMILES NC(Cc1cc(Br)c(O)c(Br)c1)C(O)=O
Show InChI InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)
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n/an/a 4.60E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326557
PNG
((E)-5-((2-hydroxynaphthalen-1-yl)diazenyl)naphthal...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O |w:12.14|
Show InChI InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
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n/an/a 5.50E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326561
PNG
(2-(2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-3-yl)acet...)
Show SMILES OC(=O)CC1NCc2cc3ccccc3nc12
Show InChI InChI=1S/C13H12N2O2/c16-12(17)6-11-13-9(7-14-11)5-8-3-1-2-4-10(8)15-13/h1-5,11,14H,6-7H2,(H,16,17)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326559
PNG
(4-(9,10-dioxo-4-(phenylamino)-5,8,9,10-tetrahydroa...)
Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(Nc3ccccc3)c3C(=O)C4=C(CC=CC4)C(=O)c23)cc1 |c:27,t:24|
Show InChI InChI=1S/C26H20N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h1-7,10-15,27-28H,8-9H2,(H,31,32,33)
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n/an/a 5.50E+3n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326557
PNG
((E)-5-((2-hydroxynaphthalen-1-yl)diazenyl)naphthal...)
Show SMILES Oc1ccc2ccccc2c1N=Nc1cccc2cc(ccc12)S(O)(=O)=O |w:12.14|
Show InChI InChI=1S/C20H14N2O4S/c23-19-11-8-13-4-1-2-6-17(13)20(19)22-21-18-7-3-5-14-12-15(27(24,25)26)9-10-16(14)18/h1-12,23H,(H,24,25,26)
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n/an/a 8.10E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326561
PNG
(2-(2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-3-yl)acet...)
Show SMILES OC(=O)CC1NCc2cc3ccccc3nc12
Show InChI InChI=1S/C13H12N2O2/c16-12(17)6-11-13-9(7-14-11)5-8-3-1-2-4-10(8)15-13/h1-5,11,14H,6-7H2,(H,16,17)
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n/an/a 8.10E+3n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326560
PNG
(2-amino-3-(5-oxo-5H-benzo[a]phenoxazin-10-yl)propa...)
Show SMILES NC(Cc1ccc2oc3cc(=O)c4ccccc4c3nc2c1)C(O)=O
Show InChI InChI=1S/C19H14N2O4/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16/h1-6,8-9,13H,7,20H2,(H,23,24)
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n/an/a 1.30E+4n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50326560
PNG
(2-amino-3-(5-oxo-5H-benzo[a]phenoxazin-10-yl)propa...)
Show SMILES NC(Cc1ccc2oc3cc(=O)c4ccccc4c3nc2c1)C(O)=O
Show InChI InChI=1S/C19H14N2O4/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16/h1-6,8-9,13H,7,20H2,(H,23,24)
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n/an/a 3.10E+4n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326558
PNG
(10,13-dimethyl-17-(2-(6-thioxo-3H-purin-9(6H)-yl)a...)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)Cn1cnc2c1nc[nH]c2=S |t:8|
Show InChI InChI=1S/C26H32N4O2S/c1-25-9-7-16(31)11-15(25)3-4-17-18-5-6-20(26(18,2)10-8-19(17)25)21(32)12-30-14-29-22-23(30)27-13-28-24(22)33/h11,13-14,17-20H,3-10,12H2,1-2H3,(H,27,28,33)
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n/an/a 3.50E+4n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326564
PNG
(2-amino-3-(6-nitro-1H-indol-3-yl)propanoic acid | ...)
Show SMILES NC(Cc1c[nH]c2cc(ccc12)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H11N3O4/c12-9(11(15)16)3-6-5-13-10-4-7(14(17)18)1-2-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326565
PNG
(2-(hydroxyimino)-3-(quinolin-4-yl)propanoic acid |...)
Show SMILES OC(=O)C(Cc1ccnc2ccccc12)N=O
Show InChI InChI=1S/C12H10N2O3/c15-12(16)11(14-17)7-8-5-6-13-10-4-2-1-3-9(8)10/h1-6,11H,7H2,(H,15,16)
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n/an/a 7.20E+4n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326566
PNG
(2-hydroxy-3-(pyridin-2-yl)propanoic acid | CHEMBL1...)
Show SMILES OC(Cc1ccccn1)C(O)=O
Show InChI InChI=1S/C8H9NO3/c10-7(8(11)12)5-6-3-1-2-4-9-6/h1-4,7,10H,5H2,(H,11,12)
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n/an/a 8.80E+4n/an/an/an/a7.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 7


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326558
PNG
(10,13-dimethyl-17-(2-(6-thioxo-3H-purin-9(6H)-yl)a...)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)Cn1cnc2c1nc[nH]c2=S |t:8|
Show InChI InChI=1S/C26H32N4O2S/c1-25-9-7-16(31)11-15(25)3-4-17-18-5-6-20(26(18,2)10-8-19(17)25)21(32)12-30-14-29-22-23(30)27-13-28-24(22)33/h11,13-14,17-20H,3-10,12H2,1-2H3,(H,27,28,33)
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n/an/a 9.30E+4n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50326560
PNG
(2-amino-3-(5-oxo-5H-benzo[a]phenoxazin-10-yl)propa...)
Show SMILES NC(Cc1ccc2oc3cc(=O)c4ccccc4c3nc2c1)C(O)=O
Show InChI InChI=1S/C19H14N2O4/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16/h1-6,8-9,13H,7,20H2,(H,23,24)
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n/an/a 1.08E+5n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50326558
PNG
(10,13-dimethyl-17-(2-(6-thioxo-3H-purin-9(6H)-yl)a...)
Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)Cn1cnc2c1nc[nH]c2=S |t:8|
Show InChI InChI=1S/C26H32N4O2S/c1-25-9-7-16(31)11-15(25)3-4-17-18-5-6-20(26(18,2)10-8-19(17)25)21(32)12-30-14-29-22-23(30)27-13-28-24(22)33/h11,13-14,17-20H,3-10,12H2,1-2H3,(H,27,28,33)
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n/an/a 1.35E+5n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50024592
PNG
((S)-1-Ammonium-2-phenyl-ethanephosphonic acid anio...)
Show SMILES [NH3+][C@H](Cc1ccccc1)P(O)([O-])=O
Show InChI InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m0/s1
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n/an/a 1.39E+5n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50024592
PNG
((S)-1-Ammonium-2-phenyl-ethanephosphonic acid anio...)
Show SMILES [NH3+][C@H](Cc1ccccc1)P(O)([O-])=O
Show InChI InChI=1S/C8H12NO3P/c9-8(13(10,11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H2,10,11,12)/t8-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.23E+5n/an/an/an/a5.0n/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at pH 5


Bioorg Med Chem 18: 5449-56 (2010)


Article DOI: 10.1016/j.bmc.2010.04.050
BindingDB Entry DOI: 10.7270/Q2Q52QMC
More data for this
Ligand-Target Pair