BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 59 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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
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=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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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=1S/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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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=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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
PDB
MMDB

KEGG

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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+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
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
BDBM50343143
PNG
(2-oxo-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)...)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc2oc3CCCCc3c2c1
Show InChI InChI=1S/C23H18N2O4S/c26-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(27,28)25-13-8-10-20-17(12-13)14-4-1-2-7-19(14)29-20/h3,5-6,8-12,25H,1-2,4,7H2,(H,24,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+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)
BDBM50343143
PNG
(2-oxo-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)...)
Show SMILES O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1ccc2oc3CCCCc3c2c1
Show InChI InChI=1S/C23H18N2O4S/c26-23-16-6-3-5-15-21(11-9-18(24-23)22(15)16)30(27,28)25-13-8-10-20-17(12-13)14-4-1-2-7-19(14)29-20/h3,5-6,8-12,25H,1-2,4,7H2,(H,24,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+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 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50343150
PNG
(CHEMBL1773183 | N1-(1-(4-(4-fluorophenyl)piperazin...)
Show SMILES COc1ccccc1CNC(=O)C(=O)NC(C)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C27H31FN4O3S/c1-19(30-27(34)26(33)29-18-20-6-3-4-7-23(20)35-2)25(24-8-5-17-36-24)32-15-13-31(14-16-32)22-11-9-21(28)10-12-22/h3-12,17,19,25H,13-16,18H2,1-2H3,(H,29,33)(H,30,34)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.14E+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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.15E+4n/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
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM50343149
PNG
(CHEMBL1773182 | N1-(2-(1H-indol-3-yl)ethyl)-N2-(1-...)
Show SMILES CC(NC(=O)C(=O)NCCc1c[nH]c2ccccc12)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C29H32FN5O2S/c1-20(33-29(37)28(36)31-13-12-21-19-32-25-6-3-2-5-24(21)25)27(26-7-4-18-38-26)35-16-14-34(15-17-35)23-10-8-22(30)9-11-23/h2-11,18-20,27,32H,12-17H2,1H3,(H,31,36)(H,33,37)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+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)
BDBM50343144
PNG
(CHEMBL1773170 | N-(3-chloro-4-hydroxynaphthalen-1-...)
Show SMILES Oc1c(Cl)cc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)c2ccccc12
Show InChI InChI=1S/C21H13ClN2O4S/c22-15-10-17(11-4-1-2-5-12(11)20(15)25)24-29(27,28)18-9-8-16-19-13(18)6-3-7-14(19)21(26)23-16/h1-10,24-25H,(H,23,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.28E+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 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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+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 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50343144
PNG
(CHEMBL1773170 | N-(3-chloro-4-hydroxynaphthalen-1-...)
Show SMILES Oc1c(Cl)cc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)c2ccccc12
Show InChI InChI=1S/C21H13ClN2O4S/c22-15-10-17(11-4-1-2-5-12(11)20(15)25)24-29(27,28)18-9-8-16-19-13(18)6-3-7-14(19)21(26)23-16/h1-10,24-25H,(H,23,26)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.55E+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)
BDBM50343150
PNG
(CHEMBL1773183 | N1-(1-(4-(4-fluorophenyl)piperazin...)
Show SMILES COc1ccccc1CNC(=O)C(=O)NC(C)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C27H31FN4O3S/c1-19(30-27(34)26(33)29-18-20-6-3-4-7-23(20)35-2)25(24-8-5-17-36-24)32-15-13-31(14-16-32)22-11-9-21(28)10-12-22/h3-12,17,19,25H,13-16,18H2,1-2H3,(H,29,33)(H,30,34)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.58E+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 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50343149
PNG
(CHEMBL1773182 | N1-(2-(1H-indol-3-yl)ethyl)-N2-(1-...)
Show SMILES CC(NC(=O)C(=O)NCCc1c[nH]c2ccccc12)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C29H32FN5O2S/c1-20(33-29(37)28(36)31-13-12-21-19-32-25-6-3-2-5-24(21)25)27(26-7-4-18-38-26)35-16-14-34(15-17-35)23-10-8-22(30)9-11-23/h2-11,18-20,27,32H,12-17H2,1H3,(H,31,36)(H,33,37)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+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 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50343145
PNG
(CHEMBL1773171 | heptyl 2-methyl-5-(2-oxo-1,2-dihyd...)
Show SMILES CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc12
Show InChI InChI=1S/C28H28N2O6S/c1-3-4-5-6-7-15-35-28(32)25-17(2)36-23-13-11-18(16-21(23)25)30-37(33,34)24-14-12-22-26-19(24)9-8-10-20(26)27(31)29-22/h8-14,16,30H,3-7,15H2,1-2H3,(H,29,31)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.95E+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)
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.08E+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 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
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)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM50343145
PNG
(CHEMBL1773171 | heptyl 2-methyl-5-(2-oxo-1,2-dihyd...)
Show SMILES CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4NC(=O)c5cccc3c45)cc12
Show InChI InChI=1S/C28H28N2O6S/c1-3-4-5-6-7-15-35-28(32)25-17(2)36-23-13-11-18(16-21(23)25)30-37(33,34)24-14-12-22-26-19(24)9-8-10-20(26)27(31)29-22/h8-14,16,30H,3-7,15H2,1-2H3,(H,29,31)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.28E+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 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
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
BDBM50343151
PNG
(CHEMBL1773184 | N1-(benzo[d][1,3]dioxol-5-ylmethyl...)
Show SMILES CC(NC(=O)C(=O)NCc1ccc2OCOc2c1)C(N1CCN(CC1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C27H30N4O4S/c1-19(29-27(33)26(32)28-17-20-9-10-22-23(16-20)35-18-34-22)25(24-8-5-15-36-24)31-13-11-30(12-14-31)21-6-3-2-4-7-21/h2-10,15-16,19,25H,11-14,17-18H2,1H3,(H,28,32)(H,29,33)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+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 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
Protein Tyrosine Phosphatase PTPB


(Mycobacterium tuberculosis)
BDBM50343151
PNG
(CHEMBL1773184 | N1-(benzo[d][1,3]dioxol-5-ylmethyl...)
Show SMILES CC(NC(=O)C(=O)NCc1ccc2OCOc2c1)C(N1CCN(CC1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C27H30N4O4S/c1-19(29-27(33)26(32)28-17-20-9-10-22-23(16-20)35-18-34-22)25(24-8-5-15-36-24)31-13-11-30(12-14-31)21-6-3-2-4-7-21/h2-10,15-16,19,25H,11-14,17-18H2,1H3,(H,28,32)(H,29,33)
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.04E+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)
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
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
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>
Jump to: