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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'de souza' and Initial = 'aca'   
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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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400n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PtpB assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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800n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis PtpA assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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1.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of PTP-PEST (unknown origin) assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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1.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Yersinia enterocolitica YopH assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Bur...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466475
PNG
(CHEMBL4292242)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-22(24)15-10-8-13(9-11-15)12-19-21-18(25)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,20,21,25)/b19-12+
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1.20E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate by Michaelis-Menten plot analysis


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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1.40E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human PTP1B assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466478
PNG
(CHEMBL4288744)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Show InChI InChI=1S/C23H15ClF3N3OS/c24-19-10-8-15(23(25,26)27)12-18(19)21-11-9-16(31-21)13-28-30-22(32)29-20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H2,29,30,32)/b28-13+
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1.70E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate by Michaelis-Menten plot analysis


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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1.90E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of LYP (unknown origin) assessed as inhibition constant using varying level of pNPP as substrate by Lineweaver-Burk plot analy...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466479
PNG
(CHEMBL4280516)
Show SMILES S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N3S/c28-24(26-23-12-6-10-21-9-4-5-11-22(21)23)27-25-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-17H,(H2,26,27,28)/b25-17+
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5.60E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate by Michaelis-Menten plot analysis


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466482
PNG
(CHEMBL4282817)
Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+
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1.20E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate by Michaelis-Menten plot analysis


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
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1.25E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constant for enzyme-substrate complex


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
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6.83E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Non-competitive mixed inhibition of Yersinia enterocolitica YopH assessed as inhibition constant


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpB


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Yersinia enterocolitica YopH


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50466478
PNG
(CHEMBL4288744)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Show InChI InChI=1S/C23H15ClF3N3OS/c24-19-10-8-15(23(25,26)27)12-18(19)21-11-9-16(31-21)13-28-30-22(32)29-20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H2,29,30,32)/b28-13+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia enterocolitica YopH using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addi...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466478
PNG
(CHEMBL4288744)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Show InChI InChI=1S/C23H15ClF3N3OS/c24-19-10-8-15(23(25,26)27)12-18(19)21-11-9-16(31-21)13-28-30-22(32)29-20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H2,29,30,32)/b28-13+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50466478
PNG
(CHEMBL4288744)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Show InChI InChI=1S/C23H15ClF3N3OS/c24-19-10-8-15(23(25,26)27)12-18(19)21-11-9-16(31-21)13-28-30-22(32)29-20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H2,29,30,32)/b28-13+
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n/an/a 6.20E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50466479
PNG
(CHEMBL4280516)
Show SMILES S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N3S/c28-24(26-23-12-6-10-21-9-4-5-11-22(21)23)27-25-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-17H,(H2,26,27,28)/b25-17+
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n/an/a 6.50E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia enterocolitica YopH using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addi...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50466482
PNG
(CHEMBL4282817)
Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+
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n/an/a 6.90E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia enterocolitica YopH using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addi...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50466475
PNG
(CHEMBL4292242)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-22(24)15-10-8-13(9-11-15)12-19-21-18(25)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,20,21,25)/b19-12+
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia enterocolitica YopH using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addi...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466479
PNG
(CHEMBL4280516)
Show SMILES S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N3S/c28-24(26-23-12-6-10-21-9-4-5-11-22(21)23)27-25-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-17H,(H2,26,27,28)/b25-17+
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n/an/a 7.40E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466482
PNG
(CHEMBL4282817)
Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+
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n/an/a 9.10E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50466478
PNG
(CHEMBL4288744)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Show InChI InChI=1S/C23H15ClF3N3OS/c24-19-10-8-15(23(25,26)27)12-18(19)21-11-9-16(31-21)13-28-30-22(32)29-20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H2,29,30,32)/b28-13+
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n/an/a 9.40E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Ptp1B using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466475
PNG
(CHEMBL4292242)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-22(24)15-10-8-13(9-11-15)12-19-21-18(25)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,20,21,25)/b19-12+
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n/an/a 9.50E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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n/an/a 1.09E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50544111
PNG
(CHEMBL4638054)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H11NO5/c18-15(13-2-1-3-14(10-13)17(21)22)9-6-11-4-7-12(8-5-11)16(19)20/h1-10H,(H,19,20)/b9-6+
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n/an/a 1.15E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of LYP (unknown origin) using pNPP as substrate


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466476
PNG
(CHEMBL4279400)
Show SMILES Clc1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1Cl
Show InChI InChI=1S/C18H13Cl2N3S/c19-15-9-8-12(10-16(15)20)11-21-23-18(24)22-17-7-3-5-13-4-1-2-6-14(13)17/h1-11H,(H2,22,23,24)/b21-11+
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n/an/a 1.34E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466477
PNG
(CHEMBL4294511)
Show SMILES COc1ccc(NC(=S)N\N=C\c2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H14N4O3S/c1-22-14-8-4-12(5-9-14)17-15(23)18-16-10-11-2-6-13(7-3-11)19(20)21/h2-10H,1H3,(H2,17,18,23)/b16-10+
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50466478
PNG
(CHEMBL4288744)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Show InChI InChI=1S/C23H15ClF3N3OS/c24-19-10-8-15(23(25,26)27)12-18(19)21-11-9-16(31-21)13-28-30-22(32)29-20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H2,29,30,32)/b28-13+
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n/an/a 1.57E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-PEST using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measu...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50466475
PNG
(CHEMBL4292242)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-22(24)15-10-8-13(9-11-15)12-19-21-18(25)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,20,21,25)/b19-12+
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Ptp1B using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50466479
PNG
(CHEMBL4280516)
Show SMILES S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N3S/c28-24(26-23-12-6-10-21-9-4-5-11-22(21)23)27-25-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-17H,(H2,26,27,28)/b25-17+
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n/an/a 1.76E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466480
PNG
(CHEMBL4280931)
Show SMILES S=C(N\N=C\c1ccc2OCOc2c1)Nc1cccc2ccccc12
Show InChI InChI=1S/C19H15N3O2S/c25-19(21-16-7-3-5-14-4-1-2-6-15(14)16)22-20-11-13-8-9-17-18(10-13)24-12-23-17/h1-11H,12H2,(H2,21,22,25)/b20-11+
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n/an/a 1.78E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466481
PNG
(CHEMBL4285399)
Show SMILES COc1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1OC
Show InChI InChI=1S/C20H19N3O2S/c1-24-18-11-10-14(12-19(18)25-2)13-21-23-20(26)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H2,22,23,26)/b21-13+
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n/an/a 1.82E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50466475
PNG
(CHEMBL4292242)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-22(24)15-10-8-13(9-11-15)12-19-21-18(25)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,20,21,25)/b19-12+
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n/an/a 1.84E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50466483
PNG
(CHEMBL4287324)
Show SMILES S=C(N\N=C\c1ccc2ccccc2c1)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H17N3S/c26-22(24-21-11-5-9-18-7-3-4-10-20(18)21)25-23-15-16-12-13-17-6-1-2-8-19(17)14-16/h1-15H,(H2,24,25,26)/b23-15+
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n/an/a 2.37E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpA using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50466482
PNG
(CHEMBL4282817)
Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+
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n/an/a 3.03E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Mycobacterium tuberculosis PtpB using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate a...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50466482
PNG
(CHEMBL4282817)
Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+
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n/an/a 3.82E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Ptp1B using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50466475
PNG
(CHEMBL4292242)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-22(24)15-10-8-13(9-11-15)12-19-21-18(25)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,20,21,25)/b19-12+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-PEST using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measu...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50466479
PNG
(CHEMBL4280516)
Show SMILES S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N3S/c28-24(26-23-12-6-10-21-9-4-5-11-22(21)23)27-25-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-17H,(H2,26,27,28)/b25-17+
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-PEST using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measu...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50466478
PNG
(CHEMBL4288744)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Show InChI InChI=1S/C23H15ClF3N3OS/c24-19-10-8-15(23(25,26)27)12-18(19)21-11-9-16(31-21)13-28-30-22(32)29-20-7-3-5-14-4-1-2-6-17(14)20/h1-13H,(H2,29,30,32)/b28-13+
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UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LYP using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured e...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50466482
PNG
(CHEMBL4282817)
Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+
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UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LYP using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured e...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50466475
PNG
(CHEMBL4292242)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H14N4O2S/c23-22(24)15-10-8-13(9-11-15)12-19-21-18(25)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H2,20,21,25)/b19-12+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LYP using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured e...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50466482
PNG
(CHEMBL4282817)
Show SMILES Cc1ccc(NC(=S)N\N=C\c2ccc(o2)-c2cc(ccc2Cl)C(F)(F)F)cc1
Show InChI InChI=1S/C20H15ClF3N3OS/c1-12-2-5-14(6-3-12)26-19(29)27-25-11-15-7-9-18(28-15)16-10-13(20(22,23)24)4-8-17(16)21/h2-11H,1H3,(H2,26,27,29)/b25-11+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-PEST using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measu...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50466479
PNG
(CHEMBL4280516)
Show SMILES S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N3S/c28-24(26-23-12-6-10-21-9-4-5-11-22(21)23)27-25-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-17H,(H2,26,27,28)/b25-17+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Ptp1B using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50466479
PNG
(CHEMBL4280516)
Show SMILES S=C(N\N=C\c1ccc(cc1)-c1ccccc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H19N3S/c28-24(26-23-12-6-10-21-9-4-5-11-22(21)23)27-25-17-18-13-15-20(16-14-18)19-7-2-1-3-8-19/h1-17H,(H2,26,27,28)/b25-17+
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LYP using p-nitrophenyl phosphate as substrate preincubated for 10 mins followed by substrate addition and measured e...


Bioorg Med Chem 26: 5742-5750 (2018)


Article DOI: 10.1016/j.bmc.2018.10.030
BindingDB Entry DOI: 10.7270/Q26T0QBX
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50076273
PNG
((2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acry...)
Show SMILES OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
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Article
PubMed
n/an/a 3.79E+5n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of recombinant Yersinia enterocolitica YopH assessed as reduction in conversion of pNPP to nitrophenol and inorganic phosphate using pNPP ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127350
BindingDB Entry DOI: 10.7270/Q29S1VM4
More data for this
Ligand-Target Pair