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Compile Data Set for Download or QSAR

Found 112 hits of ic50 data for polymerid = 2951   
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
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50341982
PNG
(5-(2-cyclohexyl-4-((1-(6-(4-fluoro-2-methylphenyls...)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)NCCCCCCn1cc(COc2ccc(-c3cc(no3)C(O)=O)c(c2)C2CCCCC2)nn1
Show InChI InChI=1S/C32H38FN5O6S/c1-22-17-24(33)11-14-31(22)45(41,42)34-15-7-2-3-8-16-38-20-25(35-37-38)21-43-26-12-13-27(30-19-29(32(39)40)36-44-30)28(18-26)23-9-5-4-6-10-23/h11-14,17-20,23,34H,2-10,15-16,21H2,1H3,(H,39,40)
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n/an/a 150n/an/an/an/an/an/a



Wuhan University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB


Eur J Med Chem 138: 501-513 (2017)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50456584
PNG
(CHEMBL4213459)
Show SMILES OC(=O)c1cc(on1)-c1ccc(OCc2cn(CCCCCCC(=O)Nc3ccc4cc5ccccc5cc4c3)nn2)cc1C1CCCCC1
Show InChI InChI=1S/C40H41N5O5/c46-39(41-32-16-15-30-20-28-12-7-8-13-29(28)21-31(30)22-32)14-6-1-2-9-19-45-25-33(42-44-45)26-49-34-17-18-35(38-24-37(40(47)48)43-50-38)36(23-34)27-10-4-3-5-11-27/h7-8,12-13,15-18,20-25,27H,1-6,9-11,14,19,26H2,(H,41,46)(H,47,48)
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n/an/a 170n/an/an/an/an/an/a



Wuhan University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB


Eur J Med Chem 138: 501-513 (2017)

More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26104
PNG
(5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phe...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C23H19F4NO3/c24-19-9-7-15(11-18(19)23(25,26)27)14-6-8-16(21-12-20(22(29)30)28-31-21)17(10-14)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,29,30)
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n/an/a 220n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341985
PNG
(CHEMBL1765366)
Show SMILES [O-][N+](=O)c1ccc2N(Cc3cccc(F)c3)C(=O)[C@@]3(N(C(=O)CS3(=O)=O)c3ccc(F)c(F)c3)c2c1
Show InChI InChI=1/C23H14F3N3O6S/c24-14-3-1-2-13(8-14)11-27-20-7-5-16(29(32)33)9-17(20)23(22(27)31)28(21(30)12-36(23,34)35)15-4-6-18(25)19(26)10-15/h1-10H,11-12H2/t23-/s2
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n/an/a 320n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341979
PNG
(5-(Biphenyl-4-carbonyl)-1,3,4,5-tetrahydro-thiopyr...)
Show SMILES OS(=O)(=O)c1ccc2n(C(=O)c3ccc(cc3)-c3ccccc3)c3CCSCc3c2c1
Show InChI InChI=1S/C24H19NO4S2/c26-24(18-8-6-17(7-9-18)16-4-2-1-3-5-16)25-22-11-10-19(31(27,28)29)14-20(22)21-15-30-13-12-23(21)25/h1-11,14H,12-13,15H2,(H,27,28,29)
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n/an/a 360n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50464769
PNG
(CHEMBL4290098)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@H]2c2c(O)cc(O)c3c2oc(c(CC=C(C)C)c3=O)-c2ccc(O)cc2O)c2ccc(O)cc2O)c1O
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 360n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50464769
PNG
(CHEMBL4290098)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@H]2c2c(O)cc(O)c3c2oc(c(CC=C(C)C)c3=O)-c2ccc(O)cc2O)c2ccc(O)cc2O)c1O
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 363n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459230
PNG
(CHEMBL4215472)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(c1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H13ClN2O6/c23-16-10-15(11-17(20(16)26)25(29)30)13-7-4-8-14(9-13)18-19(22(27)28)24-31-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 400n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341980
PNG
(3-Benzyl-1-(biphenyl-4-carbonyl)-2-methyl-1H-indol...)
Show SMILES Cc1c(Cc2ccccc2)c2cc(ccc2n1C(=O)c1ccc(cc1)-c1ccccc1)S(O)(=O)=O
Show InChI InChI=1S/C29H23NO4S/c1-20-26(18-21-8-4-2-5-9-21)27-19-25(35(32,33)34)16-17-28(27)30(20)29(31)24-14-12-23(13-15-24)22-10-6-3-7-11-22/h2-17,19H,18H2,1H3,(H,32,33,34)
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n/an/a 430n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341981
PNG
(2-((3-chlorobenzyl)((5-(N-(3,3-diphenylpropyl)sulf...)
Show SMILES OC(=O)C(=O)N(Cc1ccc(s1)S(=O)(=O)NCCC(c1ccccc1)c1ccccc1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C29H27ClN2O5S2/c30-24-13-7-8-21(18-24)19-32(28(33)29(34)35)20-25-14-15-27(38-25)39(36,37)31-17-16-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-15,18,26,31H,16-17,19-20H2,(H,34,35)
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n/an/a 440n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
3D
3D Structure (crystal)
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50320829
PNG
((oxalylamino-methylene)-thiophenesulfonamide | CHE...)
Show SMILES NS(=O)(=O)C1=CCS2=C1C(=O)C(=O)C2=N
Show InChI InChI=1S/C7H6N2O4S2/c8-7-5(11)4(10)6-3(15(9,12)13)1-2-14(6)7/h1,8H,2H2,(H2,9,12,13)
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n/an/a 440n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of N-terminal histidine-tagged Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) after 45 mins by fluorescence assa...


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341982
PNG
(5-(2-cyclohexyl-4-((1-(6-(4-fluoro-2-methylphenyls...)
Show SMILES Cc1cc(F)ccc1S(=O)(=O)NCCCCCCn1cc(COc2ccc(-c3cc(no3)C(O)=O)c(c2)C2CCCCC2)nn1
Show InChI InChI=1S/C32H38FN5O6S/c1-22-17-24(33)11-14-31(22)45(41,42)34-15-7-2-3-8-16-38-20-25(35-37-38)21-43-26-12-13-27(30-19-29(32(39)40)36-44-30)28(18-26)23-9-5-4-6-10-23/h11-14,17-20,23,34H,2-10,15-16,21H2,1H3,(H,39,40)
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n/an/a 640n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459230
PNG
(CHEMBL4215472)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(c1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H13ClN2O6/c23-16-10-15(11-17(20(16)26)25(29)30)13-7-4-8-14(9-13)18-19(22(27)28)24-31-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 780n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB R136A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincuba...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50464771
PNG
(CHEMBL4279417)
Show SMILES CC(C)=CCc1c(oc2c([C@@H]3C=C(C)C[C@@H]([C@H]3C(=O)c3ccc(O)cc3O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O)-c1ccc(O)cc1O
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 830n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50464771
PNG
(CHEMBL4279417)
Show SMILES CC(C)=CCc1c(oc2c([C@@H]3C=C(C)C[C@@H]([C@H]3C(=O)c3ccc(O)cc3O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O)-c1ccc(O)cc1O
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 832n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459225
PNG
(CHEMBL4211060)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1ccc(O)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H14ClNO4/c23-17-12-15(9-10-18(17)25)14-7-4-8-16(11-14)19-20(22(26)27)24-28-21(19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 900n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459227
PNG
(CHEMBL4217308)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H13Cl2NO4/c23-16-10-15(11-17(24)20(16)26)13-7-4-8-14(9-13)18-19(22(27)28)25-29-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 920n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459227
PNG
(CHEMBL4217308)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H13Cl2NO4/c23-16-10-15(11-17(24)20(16)26)13-7-4-8-14(9-13)18-19(22(27)28)25-29-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB R136A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincuba...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459230
PNG
(CHEMBL4215472)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(c1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H13ClN2O6/c23-16-10-15(11-17(20(16)26)25(29)30)13-7-4-8-14(9-13)18-19(22(27)28)24-31-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB H94A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubat...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459232
PNG
(CHEMBL4206173)
Show SMILES Cc1cc(cc(C)c1O)-c1cccc(c1)-c1c(noc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H19NO4/c1-14-11-19(12-15(2)22(14)26)17-9-6-10-18(13-17)20-21(24(27)28)25-29-23(20)16-7-4-3-5-8-16/h3-13,26H,1-2H3,(H,27,28)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50403052
PNG
(CHEMBL2216811)
Show SMILES [O-][N+](=O)c1ccc2N(Cc3ccc(Br)cc3)C(=O)C3(N(C(=O)CS3(=O)=O)c3ccc(F)c(F)c3)c2c1
Show InChI InChI=1/C23H14BrF2N3O6S/c24-14-3-1-13(2-4-14)11-27-20-8-6-16(29(32)33)9-17(20)23(22(27)31)28(21(30)12-36(23,34)35)15-5-7-18(25)19(26)10-15/h1-10H,11-12H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Dr. Hari Singh Gour University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis protein tyrosine phosphatase B


Bioorg Med Chem 20: 3378-95 (2012)


Article DOI: 10.1016/j.bmc.2012.03.069
BindingDB Entry DOI: 10.7270/Q2222VX4
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341978
PNG
((4S,6S,12bR)-4-(4-bromophenyl)-2-chloro-12-(2,3-di...)
Show SMILES OC(=O)[C@@H]1Cc2c([C@H]3C=C(Cl)C[C@H](N13)c1ccc(Br)cc1)n(C(=O)c1cccc(F)c1F)c1ccccc21
Show InChI InChI=1/C29H20BrClF2N2O3/c30-16-10-8-15(9-11-16)23-12-17(31)13-24-27-20(14-25(29(37)38)34(23)24)18-4-1-2-7-22(18)35(27)28(36)19-5-3-6-21(32)26(19)33/h1-11,13,23-25H,12,14H2,(H,37,38)/t23-,24+,25-/s2
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n/an/a 1.13E+3n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
Phosphotyrosine protein phosphatase


(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+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(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 1.20E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB


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
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459233
PNG
(CHEMBL4207543)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)cc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H13Cl2NO3/c23-17-10-16(11-18(24)12-17)14-7-4-8-15(9-14)19-20(22(26)27)25-28-21(19)13-5-2-1-3-6-13/h1-12H,(H,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(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+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341986
PNG
(6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...)
Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Max Planck Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341986
PNG
(6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...)
Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)
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n/an/a 1.26E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB


Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(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 1.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB 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
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459227
PNG
(CHEMBL4217308)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H13Cl2NO4/c23-16-10-15(11-17(24)20(16)26)13-7-4-8-14(9-13)18-19(22(27)28)25-29-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB H94A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubat...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(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 1.40E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB preincubated with compound for 30 mins before pNPP substrate addition by micropl...


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
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50464767
PNG
(CHALCOMORACIN | Chalcomoracin)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@@H]2c2c(O)cc(cc2O)-c2cc3ccc(O)cc3o2)c2ccc(O)cc2O)c1O
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 1.43E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50464767
PNG
(CHALCOMORACIN | Chalcomoracin)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@@H]2c2c(O)cc(cc2O)-c2cc3ccc(O)cc3o2)c2ccc(O)cc2O)c1O
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 1.45E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459226
PNG
(CHEMBL4210532)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1ccc(O)c(F)c1)-c1ccccc1
Show InChI InChI=1S/C22H14FNO4/c23-17-12-15(9-10-18(17)25)14-7-4-8-16(11-14)19-20(22(26)27)24-28-21(19)13-5-2-1-3-6-13/h1-12,25H,(H,26,27)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459230
PNG
(CHEMBL4215472)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(c1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H13ClN2O6/c23-16-10-15(11-17(20(16)26)25(29)30)13-7-4-8-14(9-13)18-19(22(27)28)24-31-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB E129A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincuba...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50464770
PNG
(CHEMBL4280952)
Show SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](CC(C)=C[C@@H]2c2c(O)cc(\C=C\c3ccc(O)cc3O)cc2O)c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C39H38O9/c1-20(2)4-10-27-31(42)13-12-28(38(27)47)39(48)36-29(26-11-9-25(41)19-33(26)44)14-21(3)15-30(36)37-34(45)16-22(17-35(37)46)5-6-23-7-8-24(40)18-32(23)43/h4-9,11-13,15-19,29-30,36,40-47H,10,14H2,1-3H3/b6-5+/t29-,30+,36-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459232
PNG
(CHEMBL4206173)
Show SMILES Cc1cc(cc(C)c1O)-c1cccc(c1)-c1c(noc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H19NO4/c1-14-11-19(12-15(2)22(14)26)17-9-6-10-18(13-17)20-21(24(27)28)25-29-23(20)16-7-4-3-5-8-16/h3-13,26H,1-2H3,(H,27,28)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB R136A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincuba...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459232
PNG
(CHEMBL4206173)
Show SMILES Cc1cc(cc(C)c1O)-c1cccc(c1)-c1c(noc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C24H19NO4/c1-14-11-19(12-15(2)22(14)26)17-9-6-10-18(13-17)20-21(24(27)28)25-29-23(20)16-7-4-3-5-8-16/h3-13,26H,1-2H3,(H,27,28)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB H94A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubat...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459224
PNG
(CHEMBL4212452)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cccc(O)c1)-c1ccccc1
Show InChI InChI=1S/C22H15NO4/c24-18-11-5-9-16(13-18)15-8-4-10-17(12-15)19-20(22(25)26)23-27-21(19)14-6-2-1-3-7-14/h1-13,24H,(H,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB R136A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincuba...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459224
PNG
(CHEMBL4212452)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cccc(O)c1)-c1ccccc1
Show InChI InChI=1S/C22H15NO4/c24-18-11-5-9-16(13-18)15-8-4-10-17(12-15)19-20(22(25)26)23-27-21(19)14-6-2-1-3-7-14/h1-13,24H,(H,25,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459227
PNG
(CHEMBL4217308)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)c(O)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H13Cl2NO4/c23-16-10-15(11-17(24)20(16)26)13-7-4-8-14(9-13)18-19(22(27)28)25-29-21(18)12-5-2-1-3-6-12/h1-11,26H,(H,27,28)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB E129A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincuba...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459224
PNG
(CHEMBL4212452)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cccc(O)c1)-c1ccccc1
Show InChI InChI=1S/C22H15NO4/c24-18-11-5-9-16(13-18)15-8-4-10-17(12-15)19-20(22(25)26)23-27-21(19)14-6-2-1-3-7-14/h1-13,24H,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB H94A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubat...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459233
PNG
(CHEMBL4207543)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)cc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H13Cl2NO3/c23-17-10-16(11-18(24)12-17)14-7-4-8-15(9-14)19-20(22(26)27)25-28-21(19)13-5-2-1-3-6-13/h1-12H,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB R136A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincuba...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459231
PNG
(CHEMBL4212874)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1ccc(O)cc1)-c1ccccc1
Show InChI InChI=1S/C22H15NO4/c24-18-11-9-14(10-12-18)16-7-4-8-17(13-16)19-20(22(25)26)23-27-21(19)15-5-2-1-3-6-15/h1-13,24H,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubated for 15 mi...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50459233
PNG
(CHEMBL4207543)
Show SMILES OC(=O)c1noc(c1-c1cccc(c1)-c1cc(Cl)cc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C22H13Cl2NO3/c23-17-10-16(11-18(24)12-17)14-7-4-8-15(9-14)19-20(22(26)27)25-28-21(19)13-5-2-1-3-6-13/h1-12H,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv His-tagged ptpB H94A mutant expressed in Escherichia coli BL21(DE3) using pNPP as substrate preincubat...


J Med Chem 61: 8337-8352 (2018)

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(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
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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 4.68E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(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
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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(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=1/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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB


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
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50193719
PNG
((S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbu...)
Show SMILES CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1cc2C=CC(C)(C)Oc2cc1O
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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.07E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Phosphotyrosine protein phosphatase


(Mycobacterium tuberculosis)
BDBM50193719
PNG
((S)-5,7,7'-trihydroxy-2',2'-dimethyl-6-(3-methylbu...)
Show SMILES CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1cc2C=CC(C)(C)Oc2cc1O
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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.13E+3n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
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