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Compile Data Set for Download or QSAR

Found 311 hits Enz. Inhib. hit(s) with Target = 'Protein-Tyrosine Phosphatase SHP-1'   
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 SHP-1


(Homo sapiens (human))
BDBM24531
PNG
((3Z)-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2-oxo...)
Show SMILES OS([O-])(=O)=c1ccc2[nH+]c(=O)\c(=N/Nc3ccccc3[N+]([O-])=O)c2c1
Show InChI InChI=1S/C14H10N4O6S/c19-14-13(17-16-11-3-1-2-4-12(11)18(20)21)9-7-8(25(22,23)24)5-6-10(9)15-14/h1-7,16H,(H2,22,23,24)/b17-13-
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PubMed
n/an/a 6.80E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24533
PNG
((3Z)-3-[2-(2-carboxyphenyl)hydrazin-1-ylidene]-2-o...)
Show SMILES OC(=O)c1ccc2NC(=O)C(=NNc3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C16H11N3O5/c20-14-13(10-7-8(15(21)22)5-6-11(10)17-14)19-18-12-4-2-1-3-9(12)16(23)24/h1-7,18H,(H,21,22)(H,23,24)(H,17,19,20)
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n/an/a 1.54E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24534
PNG
((3Z)-3-[2-(3-carboxyphenyl)hydrazin-1-ylidene]-2-o...)
Show SMILES OC(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C16H11N3O5/c20-14-13(11-7-9(16(23)24)4-5-12(11)17-14)19-18-10-3-1-2-8(6-10)15(21)22/h1-7,18H,(H,21,22)(H,23,24)(H,17,19,20)
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n/an/a 7.25E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24535
PNG
(3-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]carbamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H17ClN4O4/c24-16-7-4-13(5-8-16)12-25-21(29)14-6-9-19-18(11-14)20(22(30)26-19)28-27-17-3-1-2-15(10-17)23(31)32/h1-11,27H,12H2,(H,25,29)(H,31,32)(H,26,28,30)
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n/an/a 1.94E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24536
PNG
(3-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-6-7-15-14(9-13)16(17(23)19-15)21-20-12-5-3-4-11(8-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
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n/an/a 1.57E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24537
PNG
(4-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-7-8-15-14(9-13)16(17(23)19-15)21-20-12-5-3-11(4-6-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
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n/an/a 2.77E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM84581
PNG
(Thioxothiazolidinone derivative, 1)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 3.90E+3n/an/an/an/a7.025



McGill University



Assay Description
PTP assay were conducted at 25 C in 96-well plates. Reaction rates were determined using a Variokan plate reader from Thermo Electron. For assay pH...


Chembiochem 8: 179-86 (2007)


Article DOI: 10.1002/cbic.200600287
BindingDB Entry DOI: 10.7270/Q2T72FZ5
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24538
PNG
((3Z)-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2-oxo...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccccc3[N+]([O-])=O)c2c1
Show InChI InChI=1S/C14H11N5O5S/c15-25(23,24)8-5-6-10-9(7-8)13(14(20)16-10)18-17-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,15,23,24)(H,16,18,20)
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n/an/a 1.04E+5n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24539
PNG
((3Z)-N-[(4-chlorophenyl)methyl]-3-[2-(2-nitropheny...)
Show SMILES [O-][N+](=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN5O5S/c22-14-7-5-13(6-8-14)12-23-33(31,32)15-9-10-17-16(11-15)20(21(28)24-17)26-25-18-3-1-2-4-19(18)27(29)30/h1-11,23,25H,12H2,(H,24,26,28)
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n/an/a 4.09E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
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2.20E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 catalytic domain expressed in Escherichia coli


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50219479
PNG
(3,3'-dicarboxy-2,2'-dihydroxy-5,5'-diphenyldipheny...)
Show SMILES OC(=O)c1cc(cc(Cc2cc(cc(C(O)=O)c2O)-c2ccccc2)c1O)-c1ccccc1
Show InChI InChI=1S/C27H20O6/c28-24-20(11-18(14-22(24)26(30)31)16-7-3-1-4-8-16)13-21-12-19(17-9-5-2-6-10-17)15-23(25(21)29)27(32)33/h1-12,14-15,28-29H,13H2,(H,30,31)(H,32,33)
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9.70E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem 15: 6535-48 (2007)


Article DOI: 10.1016/j.bmc.2007.07.010
BindingDB Entry DOI: 10.7270/Q2GM871J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50208362
PNG
(3-benzyl-5-[(5-benzyl-3-carboxy-4-hydroxycyclohexa...)
Show SMILES OC(=O)C1C=C(Cc2cc(Cc3ccccc3)c(O)c(c2)C(O)=O)CC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C29H26O6/c30-26-22(12-18-7-3-1-4-8-18)14-20(16-24(26)28(32)33)11-21-15-23(13-19-9-5-2-6-10-19)27(31)25(17-21)29(34)35/h1-10,14,16-17,23,25,30H,11-13,15H2,(H,32,33)(H,34,35)
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1.40E+4n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem Lett 17: 2760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.069
BindingDB Entry DOI: 10.7270/Q2445N91
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118796
PNG
(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)
Show SMILES OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O
Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
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1.60E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50208359
PNG
(5,5'-methylenebis(2-hydroxybiphenyl-3-carboxylic a...)
Show SMILES OC(=O)c1cc(Cc2cc(C(O)=O)c(O)c(c2)-c2ccccc2)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C27H20O6/c28-24-20(18-7-3-1-4-8-18)12-16(14-22(24)26(30)31)11-17-13-21(19-9-5-2-6-10-19)25(29)23(15-17)27(32)33/h1-10,12-15,28-29H,11H2,(H,30,31)(H,32,33)
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1.70E+4n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem Lett 17: 2760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.069
BindingDB Entry DOI: 10.7270/Q2445N91
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118751
PNG
(6-(Oxalyl-amino)-1H-indole-7-carboxylic acid | 6-(...)
Show SMILES OC(=O)C(=O)Nc1ccc2cc[nH]c2c1C(O)=O
Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-6-2-1-5-3-4-12-8(5)7(6)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
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2.80E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50119679
PNG
(2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...)
Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O
Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate


Bioorg Med Chem Lett 12: 3047-50 (2002)


Article DOI: 10.1016/s0960-894x(02)00681-9
BindingDB Entry DOI: 10.7270/Q2FT8KCX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118749
PNG
(2-(Oxalyl-amino)-thiophene-3-carboxylic acid | 2-(...)
Show SMILES OC(=O)C(=O)Nc1sccc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-4(7(12)13)8-5-3(6(10)11)1-2-14-5/h1-2H,(H,8,9)(H,10,11)(H,12,13)
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6.00E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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8.00E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299462
PNG
(2-(3-(dihydroxymethyl)naphthalen-2-ylamino)-2-oxoa...)
Show SMILES OC(O)c1cc2ccccc2cc1NC(=O)C(O)=O
Show InChI InChI=1S/C13H11NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6,12,16-17H,(H,14,15)(H,18,19)
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9.40E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118762
PNG
(2-(Oxalyl-amino)-4,5,6,7-tetrahydro-benzo[b]thioph...)
Show SMILES OC(=O)C(=O)Nc1sc2CCCCc2c1C(O)=O
Show InChI InChI=1S/C11H11NO5S/c13-8(11(16)17)12-9-7(10(14)15)5-3-1-2-4-6(5)18-9/h1-4H2,(H,12,13)(H,14,15)(H,16,17)
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1.00E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50119683
PNG
(2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...)
Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O
Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate


Bioorg Med Chem Lett 12: 3047-50 (2002)


Article DOI: 10.1016/s0960-894x(02)00681-9
BindingDB Entry DOI: 10.7270/Q2FT8KCX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299461
PNG
((S)-7-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-...)
Show SMILES OC(=O)C(=O)Nc1sc2[C@H](COC3=NS(=O)(=O)c4ccccc34)OCCc2c1C(O)=O
Show InChI InChI=1S/C18H14N2O9S2/c21-14(18(24)25)19-16-12(17(22)23)9-5-6-28-10(13(9)30-16)7-29-15-8-3-1-2-4-11(8)31(26,27)20-15/h1-4,10H,5-7H2,(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1
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2.89E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118744
PNG
(2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...)
Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O
Show InChI InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
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3.50E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118789
PNG
(2-(oxaloamino)benzoic acid | CHEMBL139050)
Show SMILES OC(=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)
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5.10E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118792
PNG
(2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...)
Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O
Show InChI InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM53072
PNG
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-
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n/an/a 3.95E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50391428
PNG
(CHEMBL1358724)
Show SMILES CC1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3
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n/an/a 3.67E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM51317
PNG
(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM83922
PNG
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24540
PNG
(3-{2-[(3Z)-5-{[(4-methylphenyl)methyl]sulfamoyl}-2...)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc3NC(=O)C(=NNc4cccc(c4)C(O)=O)c3c2)cc1
Show InChI InChI=1S/C23H20N4O5S/c1-14-5-7-15(8-6-14)13-24-33(31,32)18-9-10-20-19(12-18)21(22(28)25-20)27-26-17-4-2-3-16(11-17)23(29)30/h2-12,24,26H,13H2,1H3,(H,29,30)(H,25,27,28)
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n/an/a 3.26E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24541
PNG
(4-{2-[(3Z)-5-(benzylsulfamoyl)-2-oxo-2,3-dihydro-1...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O5S/c27-21-20(26-25-16-8-6-15(7-9-16)22(28)29)18-12-17(10-11-19(18)24-21)32(30,31)23-13-14-4-2-1-3-5-14/h1-12,23,25H,13H2,(H,28,29)(H,24,26,27)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24542
PNG
(3-{2-[(3Z)-5-{[(3-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-5-1-3-13(9-15)12-24-33(31,32)17-7-8-19-18(11-17)20(21(28)25-19)27-26-16-6-2-4-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 4.25E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24543
PNG
(3-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24544
PNG
(4-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-5-1-13(2-6-15)12-24-33(31,32)17-9-10-19-18(11-17)20(21(28)25-19)27-26-16-7-3-14(4-8-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.81E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24545
PNG
(4-{2-[(3Z)-5-{[(2-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)cc1
Show InChI InChI=1S/C22H17ClN4O5S/c23-18-4-2-1-3-14(18)12-24-33(31,32)16-9-10-19-17(11-16)20(21(28)25-19)27-26-15-7-5-13(6-8-15)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 6.08E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24546
PNG
(3-{2-[(3Z)-5-{[(2-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-18-7-2-1-4-14(18)12-24-33(31,32)16-8-9-19-17(11-16)20(21(28)25-19)27-26-15-6-3-5-13(10-15)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.59E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24547
PNG
(2-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H16ClF3N4O5S/c24-17-7-5-12(9-16(17)23(25,26)27)11-28-37(35,36)13-6-8-18-15(10-13)20(21(32)29-18)31-30-19-4-2-1-3-14(19)22(33)34/h1-10,28,30H,11H2,(H,33,34)(H,29,31,32)
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n/an/a 3.24E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24548
PNG
(3-{2-[(3Z)-5-{[(4-fluorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1
Show InChI InChI=1S/C22H17FN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.83E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24549
PNG
(4-{2-[(3Z)-5-{[(4-fluorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H17FN4O5S/c23-15-5-1-13(2-6-15)12-24-33(31,32)17-9-10-19-18(11-17)20(21(28)25-19)27-26-16-7-3-14(4-8-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.08E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24550
PNG
(3-{2-[(3Z)-5-{[(3-chloro-4-fluorophenyl)methyl]sul...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1
Show InChI InChI=1S/C22H16ClFN4O5S/c23-17-8-12(4-6-18(17)24)11-25-34(32,33)15-5-7-19-16(10-15)20(21(29)26-19)28-27-14-3-1-2-13(9-14)22(30)31/h1-10,25,27H,11H2,(H,30,31)(H,26,28,29)
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n/an/a 1.23E+5n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24551
PNG
(3-{2-[(3Z)-5-{[2-(2,4-dichlorophenyl)ethyl]sulfamo...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCCc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C23H18Cl2N4O5S/c24-15-5-4-13(19(25)11-15)8-9-26-35(33,34)17-6-7-20-18(12-17)21(22(30)27-20)29-28-16-3-1-2-14(10-16)23(31)32/h1-7,10-12,26,28H,8-9H2,(H,31,32)(H,27,29,30)
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n/an/a 7.34E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24552
PNG
(4-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C23H16ClF3N4O5S/c24-18-7-1-12(9-17(18)23(25,26)27)11-28-37(35,36)15-6-8-19-16(10-15)20(21(32)29-19)31-30-14-4-2-13(3-5-14)22(33)34/h1-10,28,30H,11H2,(H,33,34)(H,29,31,32)
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n/an/a 4.31E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24553
PNG
(3-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H16ClF3N4O5S/c24-18-6-4-12(8-17(18)23(25,26)27)11-28-37(35,36)15-5-7-19-16(10-15)20(21(32)29-19)31-30-14-3-1-2-13(9-14)22(33)34/h1-10,28,30H,11H2,(H,33,34)(H,29,31,32)
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n/an/a 7.42E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124228
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4- (carboxycarbo...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(=O)C(O)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H39N3O9/c1-46-39-37(50-24-29-15-9-4-10-16-29)36(49-23-28-13-7-3-8-14-28)35(48-22-27-11-5-2-6-12-27)33(51-39)26-47-25-31-21-42(41-40-31)32-19-17-30(18-20-32)34(43)38(44)45/h2-21,33,35-37,39H,22-26H2,1H3,(H,44,45)/t33-,35-,36+,37-,39+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124232
PNG
(1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4- ...)
Show SMILES OC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C45H43N3O9/c49-40(44(50)51)36-21-23-38(24-22-36)48-25-37(46-47-48)30-56-45-43(55-29-35-19-11-4-12-20-35)42(54-28-34-17-9-3-10-18-34)41(53-27-33-15-7-2-8-16-33)39(57-45)31-52-26-32-13-5-1-6-14-32/h1-25,39,41-43,45H,26-31H2,(H,50,51)/t39-,41-,42+,43-,45+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124233
PNG
(N‐{4‐[4‐(furan‐2‐ami...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc(NC(=O)c2ccco2)cc1)c1ccco1
Show InChI InChI=1S/C22H16N2O4/c25-21(19-3-1-13-27-19)23-17-9-5-15(6-10-17)16-7-11-18(12-8-16)24-22(26)20-4-2-14-28-20/h1-14H,(H,23,25)(H,24,26)
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n/an/a 3.88E+4n/an/an/an/an/an/a



Jiangnan University



Assay Description
IC50 values were determined by pNPP assay.


Bioorg Med Chem Lett 24: 1889-94 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.015
BindingDB Entry DOI: 10.7270/Q2PC3122
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124238
PNG
(di-tert-butyl4,4'-(([1,1'-biphenyl]-4,4...)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C34H46N4O6/c1-33(2,3)43-31(41)37-19-15-25(16-20-37)29(39)35-27-11-7-23(8-12-27)24-9-13-28(14-10-24)36-30(40)26-17-21-38(22-18-26)32(42)44-34(4,5)6/h7-14,25-26H,15-22H2,1-6H3,(H,35,39)(H,36,40)
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n/an/a 1.82E+4n/an/an/an/an/an/a



Jiangnan University



Assay Description
IC50 values were determined by pNPP assay.


Bioorg Med Chem Lett 24: 1889-94 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.015
BindingDB Entry DOI: 10.7270/Q2PC3122
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM124249
PNG
(4-fluoro-N-(6-(4-(4-fluorobenzamido)phenyl)pyridin...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)c2ccc(F)cc2)cn1
Show InChI InChI=1S/C25H17F2N3O2/c26-19-7-1-17(2-8-19)24(31)29-21-11-5-16(6-12-21)23-14-13-22(15-28-23)30-25(32)18-3-9-20(27)10-4-18/h1-15H,(H,29,31)(H,30,32)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Jiangnan University



Assay Description
IC50 values were determined by pNPP assay.


Bioorg Med Chem Lett 24: 1889-94 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.015
BindingDB Entry DOI: 10.7270/Q2PC3122
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 1.65E+4n/an/an/an/an/an/a



Jiangnan University



Assay Description
IC50 values were determined by pNPP assay.


Bioorg Med Chem Lett 24: 1889-94 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.015
BindingDB Entry DOI: 10.7270/Q2PC3122
More data for this
Ligand-Target Pair
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