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Compile Data Set for Download or QSAR

Found 28 hits of ki 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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544441
PNG
(CHEMBL4637373 | US11192850, Entry 4u)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Br)C(F)(F)F
Show InChI InChI=1S/C17H9BrF3NO3/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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1.20n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as...


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
TYR_PHOSPHATASE_2 domain-containing protein


(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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2.70n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as...


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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544442
PNG
(CHEMBL4638011 | US11192850, Entry 4v)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1F)C(F)(F)F
Show InChI InChI=1S/C17H9F4NO3/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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4.90n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using varying levels of p-nitrophenyl phosphate as...


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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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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200n/an/an/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)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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 |r|
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
TYR_PHOSPHATASE_2 domain-containing protein


(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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390n/an/an/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)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


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



Universidade Federal de Santa Catarina

Curated by ChEMBL


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


Bioorg Med Chem Lett 30: (2020)


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


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50518482
PNG
(CHEMBL4582827)
Show SMILES CCOC(=O)C1=C(C)Oc2nc(C)n(Cc3cn(nn3)[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)c2C1c1ccc(cc1)C(C)C |r,c:5|
Show InChI InChI=1S/C38H45N5O13/c1-10-50-38(49)29-19(4)52-35-31(30(29)26-13-11-25(12-14-26)18(2)3)36(48)42(20(5)39-35)15-27-16-43(41-40-27)37-34(55-24(9)47)33(54-23(8)46)32(53-22(7)45)28(56-37)17-51-21(6)44/h11-14,16,18,28,30,32-34,37H,10,15,17H2,1-9H3/t28-,30?,32-,33+,34-,37-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



VNU University of Science

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB using varying levels of pNPP as substrate preincubated for 15 mins followed by substrate ad...


Bioorg Med Chem Lett 29: 164-171 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.009
BindingDB Entry DOI: 10.7270/Q25M6928
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50464770
PNG
(CHEMBL4280952)
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(\[#6]=[#6]\c3ccc(-[#8])cc3-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17|
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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1.60E+3n/an/an/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)


Article DOI: 10.1016/j.ejmech.2017.11.087
BindingDB Entry DOI: 10.7270/Q2GX4F79
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50518483
PNG
(CHEMBL4462119)
Show SMILES CCOC(=O)C1=C(C)Oc2nc(C)n(Cc3cn(nn3)[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)c2C1c1ccc(Br)cc1 |r,c:5|
Show InChI InChI=1S/C35H38BrN5O13/c1-8-48-35(47)26-16(2)50-32-28(27(26)22-9-11-23(36)12-10-22)33(46)40(17(3)37-32)13-24-14-41(39-38-24)34-31(53-21(7)45)30(52-20(6)44)29(51-19(5)43)25(54-34)15-49-18(4)42/h9-12,14,25,27,29-31,34H,8,13,15H2,1-7H3/t25-,27?,29-,30+,31-,34-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



VNU University of Science

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB using varying levels of pNPP as substrate preincubated for 15 mins followed by substrate ad...


Bioorg Med Chem Lett 29: 164-171 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.009
BindingDB Entry DOI: 10.7270/Q25M6928
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50518497
PNG
(CHEMBL4594179)
Show SMILES CCOC(=O)C1=C(C)Oc2nc(C)n(Cc3cn(nn3)[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)c2C1c1ccc(C)cc1 |r,c:5|
Show InChI InChI=1S/C36H41N5O13/c1-9-48-36(47)27-18(3)50-33-29(28(27)24-12-10-17(2)11-13-24)34(46)40(19(4)37-33)14-25-15-41(39-38-25)35-32(53-23(8)45)31(52-22(7)44)30(51-21(6)43)26(54-35)16-49-20(5)42/h10-13,15,26,28,30-32,35H,9,14,16H2,1-8H3/t26-,28?,30-,31+,32-,35-/m1/s1
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2.16E+3n/an/an/an/an/an/an/an/a



VNU University of Science

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis PTPB using varying levels of pNPP as substrate preincubated for 15 mins followed by substrate ad...


Bioorg Med Chem Lett 29: 164-171 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.009
BindingDB Entry DOI: 10.7270/Q25M6928
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50509490
PNG
(CHEMBL4467104)
Show SMILES CC[C@H](COC(C)=O)C[C@H](C)C[C@H](C)C[C@@H](C)\C=C(/C)\C=C(\C=C\C=C\C(O)=O)/C(O)=O |r|
Show InChI InChI=1S/C26H40O6/c1-7-23(17-32-22(6)27)15-20(4)13-18(2)12-19(3)14-21(5)16-24(26(30)31)10-8-9-11-25(28)29/h8-11,14,16,18-20,23H,7,12-13,15,17H2,1-6H3,(H,28,29)(H,30,31)/b10-8+,11-9+,21-14+,24-16-/t18-,19-,20-,23+/m1/s1
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5.20E+3n/an/an/an/an/an/an/an/a



Guangdong Institute of Microbiology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using p-nitrophenyl phosphate as s...


J Nat Prod 82: 3440-3449 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00834
BindingDB Entry DOI: 10.7270/Q29C71QP
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50509486
PNG
(CHEMBL4443444)
Show SMILES CC[C@H](C)C[C@H](C)C[C@@H]1CO[C@H]([C@H](C)C1)C(\C)=C/C(=C/C=C/CC(O)=O)/C(O)=O |r|
Show InChI InChI=1S/C24H38O5/c1-6-16(2)11-17(3)12-20-13-18(4)23(29-15-20)19(5)14-21(24(27)28)9-7-8-10-22(25)26/h7-9,14,16-18,20,23H,6,10-13,15H2,1-5H3,(H,25,26)(H,27,28)/b8-7+,19-14-,21-9-/t16-,17-,18+,20-,23+/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Guangdong Institute of Microbiology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using p-nitrophenyl phosphate as s...


J Nat Prod 82: 3440-3449 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00834
BindingDB Entry DOI: 10.7270/Q29C71QP
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50509488
PNG
(CHEMBL4582853)
Show SMILES CC[C@H](C)C[C@H](C)C[C@@H]1CO[C@H]([C@H](C)C1)C(\C)=C\C(=C/C=C/CC(O)=O)\C(O)=O |r|
Show InChI InChI=1S/C24H38O5/c1-6-16(2)11-17(3)12-20-13-18(4)23(29-15-20)19(5)14-21(24(27)28)9-7-8-10-22(25)26/h7-9,14,16-18,20,23H,6,10-13,15H2,1-5H3,(H,25,26)(H,27,28)/b8-7+,19-14+,21-9+/t16-,17-,18+,20-,23+/m0/s1
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8.90E+3n/an/an/an/an/an/an/an/a



Guangdong Institute of Microbiology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using p-nitrophenyl phosphate as s...


J Nat Prod 82: 3440-3449 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00834
BindingDB Entry DOI: 10.7270/Q29C71QP
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50509487
PNG
(CHEMBL4471162)
Show SMILES CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)\C=C(/C)\C=C(/C)\C=C\C=C\C(=O)N1CCCC(O)C1=O |r|
Show InChI InChI=1S/C29H47NO4/c1-7-21(2)15-24(5)18-26(20-31)19-25(6)17-23(4)16-22(3)11-8-9-13-28(33)30-14-10-12-27(32)29(30)34/h8-9,11,13,16-17,21,24-27,31-32H,7,10,12,14-15,18-20H2,1-6H3/b11-8+,13-9+,22-16+,23-17+/t21-,24-,25-,26-,27?/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



Guangdong Institute of Microbiology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Mycobacterium tuberculosis H37Rv ptpB expressed in Escherichia coli BL21 (DH3) cells using p-nitrophenyl phosphate as s...


J Nat Prod 82: 3440-3449 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00834
BindingDB Entry DOI: 10.7270/Q29C71QP
More data for this
Ligand-Target Pair