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Compile Data Set for Download or QSAR

Found 81 hits of ic50 for UniProtKB: P9WIA1   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM84499
PNG
(2-(5-{1-[(2Z)-2H-pyrrol-2-ylidene]ethyl}furan-2-yl...)
Show SMILES C\C(=C1/C=CC=N1)c1ccc(o1)-c1ccc[nH]1 |c:3,5|
Show InChI InChI=1S/C14H12N2O/c1-10(11-4-2-8-15-11)13-6-7-14(17-13)12-5-3-9-16-12/h2-9,16H,1H3/b11-10-
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n/an/a 900n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpA


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50464769
PNG
(CHEMBL4290098)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17|
Show InChI InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m1/s1
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n/an/a 1.49E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50464767
PNG
(Chalcomoracin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@@H]-2-c2c(-[#8])cc(cc2-[#8])-c2cc3ccc(-[#8])cc3o2)-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17|
Show InChI InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1
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n/an/a 2.43E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50193719
PNG
((S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbu...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1cc2-[#6]=[#6]C([#6])([#6])[#8]-c2cc1-[#8] |c:23|
Show InChI InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1
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n/an/a 2.74E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
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
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50242014
PNG
(CHEMBL464006 | Morusin | Morusin, 3 | TCMDC-124149...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
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n/an/a 4.65E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50464771
PNG
(CHEMBL4279417)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c(-[#6@@H]-3-[#6]=[#6](-[#6])-[#6]-[#6@@H](-[#6@H]-3-[#6](=O)-c3ccc(-[#8])cc3-[#8])-c3ccc(-[#8])cc3-[#8])c(-[#8])cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |r,t:11|
Show InChI InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
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n/an/a 5.89E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
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)
BDBM50193042
PNG
((2E)-1-(2',5'-dimethoxyphenyl)-3-(2-naphthyl)-2-pr...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18O3/c1-23-18-10-12-21(24-2)19(14-18)20(22)11-8-15-7-9-16-5-3-4-6-17(16)13-15/h3-14H,1-2H3/b11-8+
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n/an/a 8.40E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase


Bioorg Med Chem Lett 18: 6227-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.105
BindingDB Entry DOI: 10.7270/Q2Z60NXB
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50193042
PNG
((2E)-1-(2',5'-dimethoxyphenyl)-3-(2-naphthyl)-2-pr...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18O3/c1-23-18-10-12-21(24-2)19(14-18)20(22)11-8-15-7-9-16-5-3-4-6-17(16)13-15/h3-14H,1-2H3/b11-8+
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n/an/a 8.40E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA after 20 mins by ELISA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363165
PNG
(PRODIGIOSIN)
Show SMILES CCCCCc1cc(=Cc2[nH]c(cc2OC)-c2ccc[nH]2)[nH]c1=C |w:8.8|
Show InChI InChI=1S/C20H25N3O/c1-4-5-6-8-15-11-16(22-14(15)2)12-19-20(24-3)13-18(23-19)17-9-7-10-21-17/h7,9-13,21-23H,2,4-6,8H2,1,3H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM84495
PNG
(CHEMBL1945189 | Roseophilin, 1)
Show SMILES COc1cc(oc1C1=c2[nH]c3=CCCCCCCC[C@@H]1[C@@H](C(C)C)c2c3)-c1[nH]ccc1Cl |r,w:11.12,c:8|
Show InChI InChI=1S/C27H31ClN2O2/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26/h10,12-16,18,23H,4-9,11H2,1-3H3/b17-10?,26-21-,27-24-/t18-,23-/m1/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50606980
PNG
(CHEMBL5220804)
Show SMILES [#8]-c1c(Cl)cc(cc1Cl)-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)c(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c1
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n/an/a 8.97E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.117006
BindingDB Entry DOI: 10.7270/Q2RR23CZ
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
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
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50269559
PNG
(2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc(c(O)c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
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n/an/a 1.20E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
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)
BDBM50464768
PNG
(CHEMBL4291588)
Show SMILES CC1=C[C@H]([C@@H]([C@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1O |r,t:1|
Show InChI InChI=1S/C35H30O11/c1-15-8-22(19-4-2-16(36)10-25(19)40)31(34(44)20-5-3-17(37)11-26(20)41)23(9-15)32-24(39)7-6-21(35(32)45)29-14-28(43)33-27(42)12-18(38)13-30(33)46-29/h2-7,9-13,22-23,29,31,36-42,45H,8,14H2,1H3/t22-,23-,29+,31-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363157
PNG
(CHEMBL1945186)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1
Show InChI InChI=1S/C25H24O5/c1-27-20-11-12-21(24(16-20)28-2)22(26)13-9-18-10-14-23(25(15-18)29-3)30-17-19-7-5-4-6-8-19/h4-16H,17H2,1-3H3/b13-9+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
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
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
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50606979
PNG
(CHEMBL5219572)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)c(\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)c1
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n/an/a 2.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.117006
BindingDB Entry DOI: 10.7270/Q2RR23CZ
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50193040
PNG
((2E)-1-(3',4'-dimethoxyphenyl)-3-(2-naphthyl)-2-pr...)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18O3/c1-23-20-12-10-18(14-21(20)24-2)19(22)11-8-15-7-9-16-5-3-4-6-17(16)13-15/h3-14H,1-2H3/b11-8+
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n/an/a 2.31E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase


Bioorg Med Chem Lett 18: 6227-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.105
BindingDB Entry DOI: 10.7270/Q2Z60NXB
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50193040
PNG
((2E)-1-(3',4'-dimethoxyphenyl)-3-(2-naphthyl)-2-pr...)
Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C21H18O3/c1-23-20-12-10-18(14-21(20)24-2)19(22)11-8-15-7-9-16-5-3-4-6-17(16)13-15/h3-14H,1-2H3/b11-8+
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n/an/a 2.31E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA after 20 mins by ELISA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
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
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50159781
PNG
(CHEMBL183648 | molybdate)
Show SMILES [O-][Mo]([O-])(=O)=O
Show InChI InChI=1S/Mo.4O/q;;;2*-1
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n/an/a 2.45E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50284960
PNG
(CHEMBL50626 | H3VO4 | Vanadiumsaeure | [VO(OH)3] |...)
Show SMILES O[V](O)(O)=O
Show InChI InChI=1S/3H2O.O.V/h3*1H2;;/q;;;;+3/p-3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50544440
PNG
(CHEMBL4647367 | US11192850, Entry 4t)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H9ClF3NO3/c18-14-9-12(17(19,20)21)6-5-11(14)4-1-10-2-7-13(8-3-10)22-15(23)16(24)25/h2-3,5-9H,(H,22,23)(H,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50080994
PNG
(CHEMBL85943 | sodium tungstate)
Show SMILES [O-][W]([O-])(=O)=O
Show InChI InChI=1S/4O.W/q;;2*-1;
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n/an/a 3.08E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363144
PNG
(CHEMBL1946281)
Show SMILES Clc1ccc(s1)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C17H11ClOS/c18-17-10-9-16(20-17)15(19)8-6-12-5-7-13-3-1-2-4-14(13)11-12/h1-11H/b8-6+
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n/an/a 3.20E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50193009
PNG
((2E)-1-(2',5'-dimethoxyphenyl)-3-(1-naphthyl)-2-pr...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C21H18O3/c1-23-17-11-13-21(24-2)19(14-17)20(22)12-10-16-8-5-7-15-6-3-4-9-18(15)16/h3-14H,1-2H3/b12-10+
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n/an/a 3.95E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase


Bioorg Med Chem Lett 18: 6227-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.105
BindingDB Entry DOI: 10.7270/Q2Z60NXB
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50193009
PNG
((2E)-1-(2',5'-dimethoxyphenyl)-3-(1-naphthyl)-2-pr...)
Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C21H18O3/c1-23-17-11-13-21(24-2)19(14-17)20(22)12-10-16-8-5-7-15-6-3-4-9-18(15)16/h3-14H,1-2H3/b12-10+
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n/an/a 3.95E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA after 20 mins by ELISA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363152
PNG
(CHEMBL455469)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H11NO5/c18-14(12-2-1-3-13(9-12)17(19)20)6-4-11-5-7-15-16(8-11)22-10-21-15/h1-9H,10H2/b6-4+
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n/an/a 4.50E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


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



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis


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


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


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

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis


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


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


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

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis


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


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50544431
PNG
(CHEMBL4637459 | US11192850, Entry 4k)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)21-15(22)16(23)24/h3-10H,(H,21,22)(H,23,24)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363142
PNG
(CHEMBL519069)
Show SMILES Brc1ccc(cc1)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C19H13BrO/c20-18-10-8-16(9-11-18)19(21)12-6-14-5-7-15-3-1-2-4-17(15)13-14/h1-13H/b12-6+
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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 Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50544427
PNG
(CHEMBL4632818 | US11192850, Entry 4g)
Show SMILES CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O
Show InChI InChI=1S/C19H16N2O6/c1-21(2)15-10-16(22)14(18(24)25)9-12(15)7-6-11-4-3-5-13(8-11)20-17(23)19(26)27/h3-5,8-10,22H,1-2H3,(H,20,23)(H,24,25)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis spectrophotometric method


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50246224
PNG
((2E)-1-(2'-Hydroxyphenyl)-3-(1-naphtyl)-2-propen-1...)
Show SMILES Oc1ccccc1C(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C19H14O2/c20-18-11-4-3-10-17(18)19(21)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13,20H/b13-12+
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n/an/a 5.02E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA after 20 mins by ELISA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50246224
PNG
((2E)-1-(2'-Hydroxyphenyl)-3-(1-naphtyl)-2-propen-1...)
Show SMILES Oc1ccccc1C(=O)\C=C\c1cccc2ccccc12
Show InChI InChI=1S/C19H14O2/c20-18-11-4-3-10-17(18)19(21)13-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-13,20H/b13-12+
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n/an/a 5.07E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase


Bioorg Med Chem Lett 18: 6227-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.105
BindingDB Entry DOI: 10.7270/Q2Z60NXB
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50320828
PNG
((2E)-1-(3'-Methoxy-4'-hydroxyphenyl)-3-(2-naphtyl)...)
Show SMILES COc1cc(ccc1O)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O3/c1-23-20-13-17(9-11-19(20)22)18(21)10-7-14-6-8-15-4-2-3-5-16(15)12-14/h2-13,22H,1H3/b10-7+
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n/an/a 5.37E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPA after 20 mins by ELISA


Bioorg Med Chem 18: 3783-9 (2010)


Article DOI: 10.1016/j.bmc.2010.04.051
BindingDB Entry DOI: 10.7270/Q2MW2J4B
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50246311
PNG
((2E)-1-(3'-methoxy-4'-hydroxyphenyl)-3-(2-naphthyl...)
Show SMILES COC1C=C(C=CC1O)C(=O)\C=C\c1ccc2ccccc2c1 |c:3,5|
Show InChI InChI=1S/C20H18O3/c1-23-20-13-17(9-11-19(20)22)18(21)10-7-14-6-8-15-4-2-3-5-16(15)12-14/h2-13,19-20,22H,1H3/b10-7+
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n/an/a 5.37E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase


Bioorg Med Chem Lett 18: 6227-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.105
BindingDB Entry DOI: 10.7270/Q2Z60NXB
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363136
PNG
(CHEMBL455453)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2/b7-1+
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n/an/a 6.20E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363134
PNG
(CHEMBL1946982)
Show SMILES Brc1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)3-7-14(18)12-4-8-15-16(9-12)20-10-19-15/h1-9H,10H2/b7-3+
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n/an/a 6.60E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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n/an/a 6.72E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Eur J Med Chem 144: 277-288 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50363133
PNG
(CHEMBL1946981)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C16H11NO5/c18-14(12-4-8-15-16(9-12)22-10-21-15)7-3-11-1-5-13(6-2-11)17(19)20/h1-9H,10H2/b7-3+
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n/an/a 7.40E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-A using p-nitrophenyl phosphate as substrate measured for 10 mins by spectrofluorimetry


J Med Chem 55: 390-402 (2012)


Article DOI: 10.1021/jm2012062
BindingDB Entry DOI: 10.7270/Q2445MZ4
More data for this
Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)
BDBM50175706
PNG
(3-(2-(4-((3-benzoyl-1-cyanoindolizin-5-yl)methoxy)...)
Show SMILES CC(C)CC(C(=O)NC(CC(O)=O)c1ccccc1)c1ccc(OCc2cccc3c(cc(C(=O)c4ccccc4)n23)C#N)cc1
Show InChI InChI=1S/C38H35N3O5/c1-25(2)20-32(38(45)40-33(22-36(42)43)27-10-5-3-6-11-27)26-16-18-31(19-17-26)46-24-30-14-9-15-34-29(23-39)21-35(41(30)34)37(44)28-12-7-4-8-13-28/h3-19,21,25,32-33H,20,22,24H2,1-2H3,(H,40,45)(H,42,43)
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n/an/a 7.49E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPA


Bioorg Med Chem Lett 16: 59-63 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.051
BindingDB Entry DOI: 10.7270/Q2708107
More data for this
Ligand-Target Pair
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