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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase 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
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50366944
PNG
(Azovan Blue | Azovan sodium | EVANS BLUE)
Show SMILES Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 |w:34.37,7.7|
Show InChI InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
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n/an/a 1.20E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143421
PNG
(CHEMBL425511 | Di sodium; 4,5-Dihydroxy-7-sulfo-na...)
Show SMILES Oc1cc(cc2cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)/p-2
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n/an/a 6.50E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50366943
PNG
(TRYPAN BLUE)
Show SMILES Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2c(O)c3c(N)cc(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1 |w:8.9,33.35|
Show InChI InChI=1S/C34H28N6O14S4/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
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n/an/a 7.40E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50220217
PNG
(CHEMBL238138 | [3-hydroxy-3',5'-bis-trifluoromethy...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccc(cc1)C(F)(F)F)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H15F9O5/c25-22(26,27)15-3-1-12(2-4-15)10-37-19-8-14(7-18(34)21(19)38-11-20(35)36)13-5-16(23(28,29)30)9-17(6-13)24(31,32)33/h1-9,34H,10-11H2,(H,35,36)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1 after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50348708
PNG
(CHEMBL1801440)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cc(OCc2ccc(cc2)C(F)(F)F)c(C=C2SC(O)=NC2=O)cc1Br |w:27.28,c:33|
Show InChI InChI=1S/C25H17BrF3NO6S2/c1-14-2-8-18(9-3-14)38(33,34)36-21-12-20(35-13-15-4-6-17(7-5-15)25(27,28)29)16(10-19(21)26)11-22-23(31)30-24(32)37-22/h2-12H,13H2,1H3,(H,30,31,32)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1 expressed in Escherichia coli assessed as p-nitrophenol release from pNPP substrate preincubated for 10 mins


Bioorg Med Chem Lett 20: 6758-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.130
BindingDB Entry DOI: 10.7270/Q2FQ9X0G
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50404357
PNG
(CARMINE)
Show SMILES Cc1c(C(O)=O)c(O)cc2C(=O)c3c(O)c(O)c([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)c3C(=O)c12
Show InChI InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50220221
PNG
(CHEMBL237915 | [3-hydroxy-3'-trifluoromethyl-5-(4-...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccc(cc1)C(F)(F)F)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H16F6O5/c24-22(25,26)16-6-4-13(5-7-16)11-33-19-10-15(9-18(30)21(19)34-12-20(31)32)14-2-1-3-17(8-14)23(27,28)29/h1-10,30H,11-12H2,(H,31,32)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1 after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50220214
PNG
((5-benzyloxy-3-hydroxy-4'-trifluoromethyl-biphenyl...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccccc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H17F3O5/c23-22(24,25)17-8-6-15(7-9-17)16-10-18(26)21(30-13-20(27)28)19(11-16)29-12-14-4-2-1-3-5-14/h1-11,26H,12-13H2,(H,27,28)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1 after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50220220
PNG
((5-benzyloxy-3-hydroxy-3',5'-bis-trifluoromethyl-b...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccccc1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H16F6O5/c24-22(25,26)16-6-14(7-17(10-16)23(27,28)29)15-8-18(30)21(34-12-20(31)32)19(9-15)33-11-13-4-2-1-3-5-13/h1-10,30H,11-12H2,(H,31,32)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1 after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50220216
PNG
(CHEMBL236636 | [3-hydroxy-4'-trifluoromethyl-5-(4-...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H16F6O5/c24-22(25,26)16-5-1-13(2-6-16)11-33-19-10-15(9-18(30)21(19)34-12-20(31)32)14-3-7-17(8-4-14)23(27,28)29/h1-10,30H,11-12H2,(H,31,32)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1 after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143425
PNG
(5-{1-[3-Carboxy-4-oxo-cyclohexa-2,5-dien-(E)-ylide...)
Show SMILES C\C(=C1\C=CC(=O)C(=C1)C(O)=O)c1ccc(O)c(c1)C(O)=O |c:3,7|
Show InChI InChI=1S/C16H12O6/c1-8(9-2-4-13(17)11(6-9)15(19)20)10-3-5-14(18)12(7-10)16(21)22/h2-7,17H,1H3,(H,19,20)(H,21,22)/b10-8+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143419
PNG
(CHEMBL175336 | Sodium; 3,4-dihydroxy-9,10-dioxo-9,...)
Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O
Show InChI InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50220215
PNG
((5-benzyloxy-3-hydroxy-3'-trifluoromethyl-biphenyl...)
Show SMILES OC(=O)COc1c(O)cc(cc1OCc1ccccc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3O5/c23-22(24,25)17-8-4-7-15(9-17)16-10-18(26)21(30-13-20(27)28)19(11-16)29-12-14-5-2-1-3-6-14/h1-11,26H,12-13H2,(H,27,28)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1 after 10 mins


Bioorg Med Chem Lett 17: 5357-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.019
BindingDB Entry DOI: 10.7270/Q2BK1D55
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50033731
PNG
((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...)
Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4|
Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
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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n/an/a 8.60E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1


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
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50297585
PNG
(CHEMBL557673 | N-(1-benzyl-1H-pyrrolo[3,2-b]quinox...)
Show SMILES O=S(=O)(Nc1cc2nc3ccccc3nc2n1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H18N4O2S/c28-30(29,18-11-5-2-6-12-18)26-22-15-21-23(25-20-14-8-7-13-19(20)24-21)27(22)16-17-9-3-1-4-10-17/h1-15,26H,16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of YPTP1


Bioorg Med Chem Lett 19: 4372-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.078
BindingDB Entry DOI: 10.7270/Q2D79BGK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50297586
PNG
(CHEMBL557129 | N-(1-benzyl-3-cyano-1H-pyrrolo[3,2-...)
Show SMILES O=S(=O)(Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H17N5O2S/c25-15-19-22-24(27-21-14-8-7-13-20(21)26-22)29(16-17-9-3-1-4-10-17)23(19)28-32(30,31)18-11-5-2-6-12-18/h1-14,28H,16H2
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Sejong University

Curated by ChEMBL


Assay Description
Inhibition of YPTP1


Bioorg Med Chem Lett 19: 4372-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.078
BindingDB Entry DOI: 10.7270/Q2D79BGK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
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 |t:4|
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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n/an/a 1.03E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1


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
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143418
PNG
(7-Hydroxy-8-(2-hydroxy-4-sulfo-naphthalen-1-ylazo)...)
Show SMILES Oc1cc(c2ccccc2c1N=Nc1c(O)c(cc2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O |w:11.12|
Show InChI InChI=1S/C20H14N2O14S4/c23-13-8-14(38(28,29)30)11-3-1-2-4-12(11)18(13)21-22-19-17-9(6-16(20(19)24)40(34,35)36)5-10(37(25,26)27)7-15(17)39(31,32)33/h1-8,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-4
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n/an/a 1.10E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143420
PNG
(CHEMBL3144822 | Sodium; 3-hydroxy-4-(5-hydroxy-3-m...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1c(O)cc(c2ccccc12)S(O)(=O)=O
Show InChI InChI=1S/C20H16N4O5S/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29/h2-11,23,25H,1H3,(H,27,28,29)/p-1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
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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n/an/a 2.34E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1


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
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50219482
PNG
(5-benzyl-2-hydroxybiphenyl-3-carboxylic acid | CHE...)
Show SMILES OC(=O)c1cc(Cc2ccccc2)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C20H16O3/c21-19-17(16-9-5-2-6-10-16)12-15(13-18(19)20(22)23)11-14-7-3-1-4-8-14/h1-10,12-13,21H,11H2,(H,22,23)
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n/an/a 2.71E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of yeast PTP1


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
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143429
PNG
(CHEMBL174821 | Di sodium; 6-Hydroxy-5-(2-methoxy-5...)
Show SMILES COc1cc(c(C)cc1N=Nc1c(O)ccc2cc(ccc12)S([O-])(=O)=O)S([O-])(=O)=O |w:10.11|
Show InChI InChI=1S/C18H16N2O8S2/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/p-2
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n/an/a 4.10E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143423
PNG
(CHEMBL176350 | Sodium; 2-hydroxy-5-(4-nitro-phenyl...)
Show SMILES Oc1ccc(cc1C([O-])=O)N=Nc1ccc(cc1)[N+]([O-])=O |w:10.10|
Show InChI InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)/p-1
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n/an/a 6.30E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM50143424
PNG
(2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...)
Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)|
Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
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n/an/a 8.50E+5n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase 1


(Saccharomyces cerevisiae)
BDBM38549
PNG
(2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino...)
Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair