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Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with Target = 'Protein Tyrosine Phosphatase PTPB'   
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
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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220 -37.6n/an/an/an/an/a7.422



University of California at Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26103
PNG
(5-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(propa...)
Show SMILES CC(C)c1cc(ccc1-c1cc(no1)C(O)=O)-c1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H15F4NO3/c1-10(2)14-7-11(12-4-6-16(21)15(8-12)20(22,23)24)3-5-13(14)18-9-17(19(26)27)25-28-18/h3-10H,1-2H3,(H,26,27)
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500 -35.6n/an/an/an/an/a7.422



University of California at Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26102
PNG
(5-[2-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]ph...)
Show SMILES CC(C)c1cc(ccc1-c1cc(no1)C(O)=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F3NO3/c1-11(2)16-9-13(12-4-3-5-14(8-12)20(21,22)23)6-7-15(16)18-10-17(19(25)26)24-27-18/h3-11H,1-2H3,(H,25,26)
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850 -34.3n/an/an/an/an/a7.422



University of California at Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26101
PNG
(5-{4-[3-(trifluoromethyl)phenyl]phenyl}-1,2-oxazol...)
Show SMILES OC(=O)c1cc(on1)-c1ccc(cc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(8-13)10-4-6-11(7-5-10)15-9-14(16(22)23)21-24-15/h1-9H,(H,22,23)
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2.50E+3 -31.7n/an/an/an/an/a7.422



University of California at Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM26099
PNG
(5-{4-[3-(trifluoromethyl)phenyl]phenyl}-1,2-thiazo...)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(cc1)C1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C16H12F3NO3S/c17-16(18,19)13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-9-15(21)20-24(14,22)23/h1-8,14H,9H2,(H,20,21)
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8.80E+3 -28.6n/an/an/an/an/a7.422



University of California at Berkeley



Assay Description
The reaction was started by addition of pNPP substrate, and reaction progress was monitored at 405 nm. The initial rate data collected was used for d...


J Am Chem Soc 129: 9613-5 (2007)


Article DOI: 10.1021/ja0727520
BindingDB Entry DOI: 10.7270/Q2PG1Q2M
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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150n/an/an/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)
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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220n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis H37Rv PTP-B expressed in Escherichia coli DE3 using p-nitrophenyl phosphate as substrate preincu...


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
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=1S/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-/m1/s1
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250n/an/an/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)
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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1.10E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB assessed as production of p-nitrophenol from pNPP substrate by L...


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
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=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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3.20E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB assessed as production of p-nitrophenol from pNPP substrate by Linew...


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
Protein Tyrosine Phosphatase PTPB


(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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4.00E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis N-terminal His6-tagged PTPB assessed as production of p-nitrophenol from pNPP substrate by Linew...


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363156
PNG
(CHEMBL1946998)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C20H14O3/c21-19(12-7-14-5-8-16(9-6-14)20(22)23)18-11-10-15-3-1-2-4-17(15)13-18/h1-13H,(H,22,23)/b12-7+
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8.00E+3n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot an...


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
Protein Tyrosine Phosphatase PTPB


(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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1.00E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot an...


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
Protein Tyrosine Phosphatase PTPB


(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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1.30E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTP-B using p-nitrophenyl phosphate as substrate measured for 10 mins by Lineweaver-Burk plot an...


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50175709
PNG
(6-(((S)-1-(2-carboxy-1-phenylethylamino)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc2c(cc(C(O)=O)n2c1)C#N)C(=O)NC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C26H26N4O6/c1-15(2)10-20(25(34)28-19(12-23(31)32)16-6-4-3-5-7-16)29-24(33)17-8-9-21-18(13-27)11-22(26(35)36)30(21)14-17/h3-9,11,14-15,19-20H,10,12H2,1-2H3,(H,28,34)(H,29,33)(H,31,32)(H,35,36)/t19?,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50175710
PNG
(6-(1-(2-carboxy-1-phenylethylamino)-4-methyl-1-oxo...)
Show SMILES CC(C)CC(C(=O)NC(CC(O)=O)c1ccccc1)c1ccc2c(cc(C(O)=O)n2c1)C#N
Show InChI InChI=1S/C25H25N3O5/c1-15(2)10-19(24(31)27-20(12-23(29)30)16-6-4-3-5-7-16)17-8-9-21-18(13-26)11-22(25(32)33)28(21)14-17/h3-9,11,14-15,19-20H,10,12H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50175708
PNG
(7-(((S)-1-(2-carboxy-1-phenylethylamino)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccn2c(cc(C#N)c2c1)C(O)=O)C(=O)NC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C26H26N4O6/c1-15(2)10-20(25(34)28-19(13-23(31)32)16-6-4-3-5-7-16)29-24(33)17-8-9-30-21(11-17)18(14-27)12-22(30)26(35)36/h3-9,11-12,15,19-20H,10,13H2,1-2H3,(H,28,34)(H,29,33)(H,31,32)(H,35,36)/t19?,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPB


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
Protein Tyrosine Phosphatase PTPB


(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 7.50E+3n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50175707
PNG
(3-((S)-2-(1-cyano-3-(ethoxycarbonyl)indolizin-5-yl...)
Show SMILES CCOC(=O)c1cc(C#N)c2cccc(O[C@@H](CC(C)C)C(=O)NC(CC(O)=O)c3ccccc3)n12
Show InChI InChI=1S/C27H29N3O6/c1-4-35-27(34)22-14-19(16-28)21-11-8-12-24(30(21)22)36-23(13-17(2)3)26(33)29-20(15-25(31)32)18-9-6-5-7-10-18/h5-12,14,17,20,23H,4,13,15H2,1-3H3,(H,29,33)(H,31,32)/t20?,23-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50175705
PNG
(3-((S)-2-(3-benzoyl-1-cyanoindolizin-5-yloxy)-4-me...)
Show SMILES CC(C)C[C@H](Oc1cccc2c(cc(C(=O)c3ccccc3)n12)C#N)C(=O)NC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C31H29N3O5/c1-20(2)16-27(31(38)33-24(18-29(35)36)21-10-5-3-6-11-21)39-28-15-9-14-25-23(19-32)17-26(34(25)28)30(37)22-12-7-4-8-13-22/h3-15,17,20,24,27H,16,18H2,1-2H3,(H,33,38)(H,35,36)/t24?,27-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50175711
PNG
(5-((S)-1-(2-carboxy-1-phenylethylamino)-4-methyl-1...)
Show SMILES CC(C)C[C@H](Oc1cccc2c(cc(C(O)=O)n12)C#N)C(=O)NC(CC(O)=O)c1ccccc1
Show InChI InChI=1S/C25H25N3O6/c1-15(2)11-21(24(31)27-18(13-23(29)30)16-7-4-3-5-8-16)34-22-10-6-9-19-17(14-26)12-20(25(32)33)28(19)22/h3-10,12,15,18,21H,11,13H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)/t18?,21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Technische Universität München

Curated by ChEMBL


Assay Description
Inhibitory activity against MPTPB


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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50192336
PNG
((2S,3S)-2-{3-[(3S,6S,9S,12S,15S)-3-benzyl-6-(1H-in...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(O)=O
Show InChI InChI=1S/C45H64N8O8/c1-8-28(6)38(44(59)60)52-45(61)50-33-20-14-15-21-46-39(54)34(23-29-16-10-9-11-17-29)48-41(56)36(24-30-25-47-32-19-13-12-18-31(30)32)53(7)43(58)35(22-26(2)3)49-42(57)37(27(4)5)51-40(33)55/h9-13,16-19,25-28,33-38,47H,8,14-15,20-24H2,1-7H3,(H,46,54)(H,48,56)(H,49,57)(H,51,55)(H,59,60)(H2,50,52,61)/t28-,33-,34-,35-,36-,37-,38-/m0/s1
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n/an/a 6.42E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpb


J Med Chem 49: 4871-8 (2006)


Article DOI: 10.1021/jm060327w
BindingDB Entry DOI: 10.7270/Q2708124
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50192337
PNG
((2S,3S)-2-(3-{(3S,6R,9S,12S,15S)-3-benzyl-9-isobut...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)c2ccccc2NC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)C(C)C)C(O)=O
Show InChI InChI=1S/C45H65N9O10/c1-8-27(6)37(43(61)62)53-45(64)51-31-20-14-15-21-47-38(56)32(23-28-16-10-9-11-17-28)48-40(58)34(24-35(55)29-18-12-13-19-30(29)50-44(46)63)54(7)42(60)33(22-25(2)3)49-41(59)36(26(4)5)52-39(31)57/h9-13,16-19,25-27,31-34,36-37H,8,14-15,20-24H2,1-7H3,(H,47,56)(H,48,58)(H,49,59)(H,52,57)(H,61,62)(H3,46,50,63)(H2,51,53,64)/t27-,31-,32-,33-,34+,36-,37-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpb


J Med Chem 49: 4871-8 (2006)


Article DOI: 10.1021/jm060327w
BindingDB Entry DOI: 10.7270/Q2708124
More data for this
Ligand-Target Pair
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50192335
PNG
((2S,3S)-2-{3-[(3S,6S,9S,12S,15S)-3-benzyl-12-((S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)N[C@H]1CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis ptpb


J Med Chem 49: 4871-8 (2006)


Article DOI: 10.1021/jm060327w
BindingDB Entry DOI: 10.7270/Q2708124
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=1S/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-/m0/s1
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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
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
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)
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)
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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50341983
PNG
(CHEMBL1765364)
Show SMILES COC(=O)C1C[C@@H]2N(CC3=C(Cl)c4cc(F)ccc4OC3)[C@@H](Cc3[nH]c4ccccc4c23)C1=O
Show InChI InChI=1S/C26H22ClFN2O4/c1-33-26(32)17-9-20-23-15-4-2-3-5-18(15)29-19(23)10-21(25(17)31)30(20)11-13-12-34-22-7-6-14(28)8-16(22)24(13)27/h2-8,17,20-21,29H,9-12H2,1H3/t17?,20-,21-/m0/s1
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n/an/a 7.00E+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)
BDBM50341984
PNG
(CHEMBL1765365)
Show SMILES COC(=O)C1C[C@@H]2N(Cc3ccccc3O)[C@@H](Cc3[nH]c4ccccc4c23)C1=O
Show InChI InChI=1S/C23H22N2O4/c1-29-23(28)15-10-18-21-14-7-3-4-8-16(14)24-17(21)11-19(22(15)27)25(18)12-13-6-2-5-9-20(13)26/h2-9,15,18-19,24,26H,10-12H2,1H3/t15?,18-,19-/m0/s1
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n/an/a 9.60E+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)
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=1S/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-/m1/s1
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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)
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)
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 5.10E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363158
PNG
(CHEMBL1096287)
Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C19H13NO3/c21-19(12-7-14-5-10-18(11-6-14)20(22)23)17-9-8-15-3-1-2-4-16(15)13-17/h1-13H/b12-7+
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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-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363141
PNG
(CHEMBL1945999)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C20H13F3O/c21-20(22,23)18-10-5-14(6-11-18)7-12-19(24)17-9-8-15-3-1-2-4-16(15)13-17/h1-13H/b12-7+
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n/an/a 3.39E+5n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363159
PNG
(CHEMBL1946001)
Show SMILES Clc1ccc(\C=C\C(=O)c2ccc3ccccc3c2)c(Cl)c1
Show InChI InChI=1S/C19H12Cl2O/c20-17-9-7-14(18(21)12-17)8-10-19(22)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H/b10-8+
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n/an/a 4.17E+5n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(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 2.50E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363160
PNG
(CHEMBL1946280)
Show SMILES O=C(\C=C\c1ccc2ccccc2c1)c1ccc[nH]1
Show InChI InChI=1S/C17H13NO/c19-17(16-6-3-11-18-16)10-8-13-7-9-14-4-1-2-5-15(14)12-13/h1-12,18H/b10-8+
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n/an/a 8.10E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(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 5.70E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363161
PNG
(CHEMBL1946439)
Show SMILES [O-][N+](=O)c1ccccc1\C=C\C(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H11NO5/c18-14(12-6-8-15-16(9-12)22-10-21-15)7-5-11-3-1-2-4-13(11)17(19)20/h1-9H,10H2/b7-5+
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n/an/a 8.10E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363162
PNG
(CHEMBL1946990)
Show SMILES [O-][N+](=O)c1ccccc1\C=C\C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H13NO3/c21-19(12-11-15-6-3-4-8-18(15)20(22)23)17-10-9-14-5-1-2-7-16(14)13-17/h1-13H/b12-11+
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n/an/a 5.40E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363156
PNG
(CHEMBL1946998)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C20H14O3/c21-19(12-7-14-5-8-16(9-6-14)20(22)23)18-11-10-15-3-1-2-4-17(15)13-18/h1-13H,(H,22,23)/b12-7+
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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 PTP-B 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50363163
PNG
(CHEMBL1945185)
Show SMILES Cc1ccc(cc1)C(=O)\C=C\c1ccc2ccccc2c1
Show InChI InChI=1S/C20H16O/c1-15-6-10-18(11-7-15)20(21)13-9-16-8-12-17-4-2-3-5-19(17)14-16/h2-14H,1H3/b13-9+
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n/an/a 1.35E+5n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(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>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
Protein Tyrosine Phosphatase PTPB


(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>1.00E+5n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTP-B 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
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)
BDBM50343146
PNG
(CHEMBL1773172 | pentyl 2-methyl-5-(2-oxo-1,2-dihyd...)
Show SMILES CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc12
Show InChI InChI=1S/C26H24N2O6S/c1-3-4-5-13-33-26(30)23-15(2)34-21-11-9-16(14-19(21)23)28-35(31,32)22-12-10-20-24-17(22)7-6-8-18(24)25(29)27-20/h6-12,14,28H,3-5,13H2,1-2H3,(H,27,29)
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n/an/a 2.11E+4n/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
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=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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n/an/a 6.30E+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
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