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Compile Data Set for Download or QSAR

Found 59 hits of ic50 for UniProtKB: P18433   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50188776
PNG
(4-(2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopro...)
Show SMILES COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(O)(=O)=O)cc1)C(=O)OC
Show InChI InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)
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n/an/a 900n/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition HPTPA

Bioorg Med Chem Lett 16: 4252-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.074
BindingDB Entry DOI: 10.7270/Q2D50MK4
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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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))		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 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))		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 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))		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 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 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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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))		BDBM50607111
PNG
(CHEMBL5218807)
Show SMILES Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50425808
PNG
(CHEMBL2316906)
Show SMILES OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H12F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-5,8-12,26H,(H,27,28)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis

J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50425807
PNG
(CHEMBL2316902)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O4/c25-24(26,27)16-8-4-5-14(11-16)9-10-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-6-2-1-3-7-15/h1-8,11-13,28H,(H,29,30)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis

J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50425806
PNG
(CHEMBL2316907)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-7,9-10,12-13,28H,(H,29,30)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis

J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
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 alpha


(Homo sapiens (Human))		BDBM50079855
PNG
((R)-2-[2,6-Dibromo-4-(6-bromo-benzo[b]naphtho[2,3-...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(cc1Br)-c1c2c3ccccc3oc2c(Br)c2ccccc12
Show InChI InChI=1S/C31H19Br3O4/c32-22-15-18(16-23(33)29(22)38-25(31(35)36)14-17-8-2-1-3-9-17)26-19-10-4-5-11-20(19)28(34)30-27(26)21-12-6-7-13-24(21)37-30/h1-13,15-16,25H,14H2,(H,35,36)/t25-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase 1 alpha (LRP) (human PTPases.)

J Med Chem 42: 3199-202 (1999)


Article DOI: 10.1021/jm990260v
BindingDB Entry DOI: 10.7270/Q2DF6QCQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50135663
PNG
(3-(4-Biphenyl-4-ylmethyl-piperazin-1-ylmethyl)-pyr...)
Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)nnc2n1
Show InChI InChI=1S/C23H25N9/c24-21-20-22(28-23(25)27-21)30-29-19(26-20)15-32-12-10-31(11-13-32)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9H,10-15H2,(H4,24,25,27,28,30)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against Protein-tyrosine phosphatase alpha in the presence of 300 nM DTT

Bioorg Med Chem Lett 13: 2895-8 (2003)


BindingDB Entry DOI: 10.7270/Q21V5DDS
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50079856
PNG
(CHEMBL108721 | [2,6-Dibromo-4-(6-bromo-benzo[b]nap...)
Show SMILES OC(=O)COc1c(Br)cc(cc1Br)-c1c2c(sc3ccccc23)c(Br)c2ccccc12
Show InChI InChI=1S/C24H13Br3O3S/c25-16-9-12(10-17(26)23(16)30-11-19(28)29)20-13-5-1-2-6-14(13)22(27)24-21(20)15-7-3-4-8-18(15)31-24/h1-10H,11H2,(H,28,29)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
The compound was tested in vitro for the inhibitory activity against Protein-tyrosine phosphatase 1 alpha (LRP) (human PTPases.)

J Med Chem 42: 3199-202 (1999)


Article DOI: 10.1021/jm990260v
BindingDB Entry DOI: 10.7270/Q2DF6QCQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50135668
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-pyrimido[5,4-e][...)
Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4ccccc4)CC3)nnc2n1
Show InChI InChI=1S/C17H21N9/c18-15-14-16(22-17(19)21-15)24-23-13(20-14)11-26-8-6-25(7-9-26)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H4,18,19,21,22,24)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against Protein-tyrosine phosphatase alpha in the presence of 300 nM DTT

Bioorg Med Chem Lett 13: 2895-8 (2003)


BindingDB Entry DOI: 10.7270/Q21V5DDS
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50135673
PNG
(3-Diethylaminomethyl-pyrimido[5,4-e][1,2,4]triazin...)
Show SMILES CCN(CC)Cc1nnc2nc(N)nc(N)c2n1
Show InChI InChI=1S/C10H16N8/c1-3-18(4-2)5-6-13-7-8(11)14-10(12)15-9(7)17-16-6/h3-5H2,1-2H3,(H4,11,12,14,15,17)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against Protein-tyrosine phosphatase alpha in the presence of 300 nM DTT

Bioorg Med Chem Lett 13: 2895-8 (2003)


BindingDB Entry DOI: 10.7270/Q21V5DDS
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50409191
PNG
(CHEMBL365490)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccc(cc1)-c1c(Cc2ccccc2)oc2ccccc12 |r|
Show InChI InChI=1S/C36H28O4/c37-36(38)34(24-26-11-5-2-6-12-26)39-30-21-19-28(20-22-30)27-15-17-29(18-16-27)35-31-13-7-8-14-32(31)40-33(35)23-25-9-3-1-4-10-25/h1-22,34H,23-24H2,(H,37,38)/t34-/m0/s1
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n/an/a 3.37E+4n/an/an/an/an/an/a


TBA



Citation and Details
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))		BDBM50246745
PNG
(3-(4-Carboxy-benzyloxy)-28-[4-butyric ((S)-1-carbo...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:29|
Show InChI InChI=1S/C51H71NO6/c1-46(2)27-29-51(24-12-11-15-43(53)52-39(45(56)57)31-34-13-9-8-10-14-34)30-28-49(6)37(38(51)32-46)20-21-41-48(5)25-23-42(47(3,4)40(48)22-26-50(41,49)7)58-33-35-16-18-36(19-17-35)44(54)55/h8-10,13-14,16-20,38-42H,11-12,15,21-33H2,1-7H3,(H,52,53)(H,54,55)(H,56,57)/t38-,39-,40-,41+,42-,48-,49+,50+,51+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50079577
PNG
((4aS,6aS,6bR,10S,12aR,14bS)-10-Hydroxy-2,2,6a,6b,9...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O |c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50246744
PNG
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(4-carboxy...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OCc6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C38H54O5/c1-33(2)18-20-38(32(41)42)21-19-36(6)26(27(38)22-33)12-13-29-35(5)16-15-30(34(3,4)28(35)14-17-37(29,36)7)43-23-24-8-10-25(11-9-24)31(39)40/h8-12,27-30H,13-23H2,1-7H3,(H,39,40)(H,41,42)/t27-,28-,29+,30-,35-,36+,37+,38-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50194130
PNG
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(3-carboxy...)
Show SMILES CC(C)(CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C)C(O)=O |r,t:20|
Show InChI InChI=1S/C36H56O6/c1-30(2)16-18-36(29(40)41)19-17-34(8)22(23(36)20-30)10-11-25-33(7)14-13-26(42-27(37)21-31(3,4)28(38)39)32(5,6)24(33)12-15-35(25,34)9/h10,23-26H,11-21H2,1-9H3,(H,38,39)(H,40,41)/t23-,24-,25+,26-,33-,34+,35+,36-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50246668
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-2-(5-((4aR,6aS,6bR,8a...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)NC(Cc3ccc4OCOc4c3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:33|
Show InChI InChI=1S/C44H65NO6/c1-39(2)20-22-44(17-9-8-10-37(47)45-31(38(48)49)24-28-11-13-32-33(25-28)51-27-50-32)23-21-42(6)29(30(44)26-39)12-14-35-41(5)18-16-36(46)40(3,4)34(41)15-19-43(35,42)7/h11-13,25,30-31,34-36,46H,8-10,14-24,26-27H2,1-7H3,(H,45,47)(H,48,49)/t30-,31?,34-,35+,36-,41-,42+,43+,44+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50246653
PNG
((S)-2-(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-...)
Show SMILES CC1(C)CC[C@]2(CCCCC(=O)N[C@@H](Cc3ccccc3)C(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:29|
Show InChI InChI=1S/C43H65NO4/c1-38(2)23-25-43(20-12-11-15-36(46)44-32(37(47)48)27-29-13-9-8-10-14-29)26-24-41(6)30(31(43)28-38)16-17-34-40(5)21-19-35(45)39(3,4)33(40)18-22-42(34,41)7/h8-10,13-14,16,31-35,45H,11-12,15,17-28H2,1-7H3,(H,44,46)(H,47,48)/t31-,32-,33-,34+,35-,40-,41+,42+,43+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50246621
PNG
(5-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCCCC(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:17|
Show InChI InChI=1S/C34H56O3/c1-29(2)18-20-34(15-9-8-10-28(36)37)21-19-32(6)23(24(34)22-29)11-12-26-31(5)16-14-27(35)30(3,4)25(31)13-17-33(26,32)7/h11,24-27,35H,8-10,12-22H2,1-7H3,(H,36,37)/t24-,25-,26+,27-,31-,32+,33+,34+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50246620
PNG
(3-((4aR,6aS,6bR,8aR,10S,12aR,12bR,14bR)-10-hydroxy...)
Show SMILES CC1(C)CC[C@]2(CCC(O)=O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:15|
Show InChI InChI=1S/C32H52O3/c1-27(2)16-18-32(15-12-26(34)35)19-17-30(6)21(22(32)20-27)8-9-24-29(5)13-11-25(33)28(3,4)23(29)10-14-31(24,30)7/h8,22-25,33H,9-20H2,1-7H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32+/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50246580
PNG
((S)-2-((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hyd...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r,c:10|
Show InChI InChI=1S/C39H57NO4/c1-34(2)19-21-39(33(44)40-28(32(42)43)23-25-11-9-8-10-12-25)22-20-37(6)26(27(39)24-34)13-14-30-36(5)17-16-31(41)35(3,4)29(36)15-18-38(30,37)7/h8-13,27-31,41H,14-24H2,1-7H3,(H,40,44)(H,42,43)/t27-,28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50222205
PNG
((1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTPalpha

Bioorg Med Chem 16: 8697-705 (2008)


Article DOI: 10.1016/j.bmc.2008.07.080
BindingDB Entry DOI: 10.7270/Q2HX1CH7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50343147
PNG
(CHEMBL1773180 | N1-(furan-2-ylmethyl)-N2-(1-(4-(4-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(C(C)NC(=O)C(=O)NCc1ccco1)c1cccs1
Show InChI InChI=1S/C25H30N4O4S/c1-18(27-25(31)24(30)26-17-21-5-3-15-33-21)23(22-6-4-16-34-22)29-13-11-28(12-14-29)19-7-9-20(32-2)10-8-19/h3-10,15-16,18,23H,11-14,17H2,1-2H3,(H,26,30)(H,27,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPalpha expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis

ACS Med Chem Lett 1: 355-359 (2010)


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50343142
PNG
(CHEMBL1773168 | N-(4-butylphenyl)-2-oxo-1,2-dihydr...)
Show SMILES CCCCc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C21H20N2O3S/c1-2-3-5-14-8-10-15(11-9-14)23-27(25,26)19-13-12-18-20-16(19)6-4-7-17(20)21(24)22-18/h4,6-13,23H,2-3,5H2,1H3,(H,22,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPalpha expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis

ACS Med Chem Lett 1: 355-359 (2010)


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50308158
PNG
(3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...)
Show SMILES Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Show InChI InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)
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n/an/a>5.00E+4n/an/an/an/a7.0n/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry

J Med Chem 53: 2482-93 (2010)


Article DOI: 10.1021/jm901645u
BindingDB Entry DOI: 10.7270/Q2639PVD
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPalpha using pNPP as a substrate after 10 mins by spectrophotometer analysis

ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50112358
PNG
(CHEMBL3609374)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C28H23N3O6S/c32-26(25(38(35,36)37)21-9-5-2-6-10-21)29-23-15-17-24(18-16-23)31-28(34)27(33)30-22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,25H,(H,29,32)(H,30,33)(H,31,34)(H,35,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPalpha using pNPP as a substrate after 10 mins by spectrophotometer analysis

ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50112357
PNG
(CHEMBL3609375)
Show SMILES CC(C)c1ccc(NC(=O)C(=O)Nc2ccc(NC(=O)C(c3ccccc3)S(O)(=O)=O)cc2)cc1
Show InChI InChI=1S/C25H25N3O6S/c1-16(2)17-8-10-19(11-9-17)27-24(30)25(31)28-21-14-12-20(13-15-21)26-23(29)22(35(32,33)34)18-6-4-3-5-7-18/h3-16,22H,1-2H3,(H,26,29)(H,27,30)(H,28,31)(H,32,33,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of phosphatase activity of human PTPalpha using pNPP as a substrate after 10 mins by spectrophotometer analysis

ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50343148
PNG
(CHEMBL1773181 | N1-(1-(4-(4-fluorophenyl)piperazin...)
Show SMILES CC(NC(=O)C(=O)NCc1cccnc1)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C25H28FN5O2S/c1-18(29-25(33)24(32)28-17-19-4-2-10-27-16-19)23(22-5-3-15-34-22)31-13-11-30(12-14-31)21-8-6-20(26)7-9-21/h2-10,15-16,18,23H,11-14,17H2,1H3,(H,28,32)(H,29,33)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPalpha expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis

ACS Med Chem Lett 1: 355-359 (2010)


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
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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n/an/a 5.10E+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))		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))		BDBM50558461
PNG
(CHEMBL4760367)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
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TBA

Assay Description
Inhibition of His-tagged PTPalpha (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
For selectivity studies, the PTPs, including LYP, mPTPA, SHP1-D1C, PTP1B, LMPTP, VHR, Laforin and PTPα-D1D2 were expressed and purified from E. ...

US Patent US9522881 (2016)


BindingDB Entry DOI: 10.7270/Q2DN4402
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPalpha (unknown origin)

J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50607110
PNG
(CHEMBL5219519)
Show SMILES Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))		BDBM50558485
PNG
(CHEMBL4800195)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1
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TBA

Assay Description
Inhibition of His-tagged PTPalpha (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
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 alpha


(Homo sapiens (Human))		BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
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n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPalpha (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
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