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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'pacheco' and Initial = 'la'   
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
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+
PDB
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PC sid
UniChem
Article
PubMed
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
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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UniChem
Article
PubMed
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
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)
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
Article
PubMed
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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UniChem
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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
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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UniChem
Article
PubMed
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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UniChem
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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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UniChem
Article
PubMed
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+
PDB
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PC sid
UniChem
Article
PubMed
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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UniChem
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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+
PDB
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NCI pathway
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KEGG

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PC sid
UniChem
Article
PubMed
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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UniChem
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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
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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UniChem
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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+
PDB

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antibodypedia
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UniChem
Article
PubMed
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+
PDB
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UniChem
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PubMed
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+
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
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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UniChem
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PubMed
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))
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 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 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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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))
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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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))
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 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))
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