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Compile Data Set for Download or QSAR

Found 355 hits with Last Name = 'ruddraraju' and Initial = 'kv'   
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem
Article
PubMed
 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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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UniChem
Article
PubMed
 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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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UniChem
Article
PubMed
 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
Tyrosine-protein phosphatase non-receptor type 1 [1-322]


(Homo sapiens (Human))		BDBM50166435
PNG
(5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-...)
Show SMILES COc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)
PDB

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PDB
Article
PubMed
 2.40E+3n/a 4.80E+3n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...

Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-322]


(Homo sapiens (Human))		BDBM223197
PNG
(2-Bromo-N-[3'-(1,1-dioxido-4-oxo-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccc(NC(=O)CBr)cc1
Show InChI InChI=1S/C17H16BrN3O4S/c1-11-2-3-13(8-15(11)21-10-17(23)20-26(21,24)25)12-4-6-14(7-5-12)19-16(22)9-18/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)
PDB

UniProtKB/SwissProt

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UniChem
Article
PubMed
 2.70E+4n/a 5.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...

Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-322]


(Homo sapiens (Human))		BDBM223198
PNG
(N-[3'-(1,1-Dioxido-4-oxo-1,2,5-thiadiazolidin-...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(C)c(c1)N1CC(=O)NS1(=O)=O
Show InChI InChI=1S/C17H17N3O4S/c1-11-3-4-14(13-5-7-15(8-6-13)18-12(2)21)9-16(11)20-10-17(22)19-25(20,23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
PDB

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UniChem
Article
PubMed
 3.20E+4n/a 6.40E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...

Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-322]


(Homo sapiens (Human))		BDBM223199
PNG
(5-(4-Methyl[1,1'-biphenyl]-3-yl)-1,2,5-thiadia...)
Show SMILES Cc1ccc(cc1N1CC(=O)NS1(=O)=O)-c1ccccc1
Show InChI InChI=1S/C15H14N2O3S/c1-11-7-8-13(12-5-3-2-4-6-12)9-14(11)17-10-15(18)16-21(17,19)20/h2-9H,10H2,1H3,(H,16,18)
PDB

UniProtKB/SwissProt

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UniChem
Article
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 3.85E+4n/a 7.70E+4n/an/an/an/a7.0n/a



University of Missouri



Assay Description
Assays for the reversible inhibition of PTP1B (72 nM) contained the test compound(2a, 2b, 5a, or 5b) in Bis-Tris (50 mM), NaCl (100 mM), EDTA (2 mM),...

Biochemistry 56: 2051-2060 (2017)


Article DOI: 10.1021/acs.biochem.7b00151
BindingDB Entry DOI: 10.7270/Q2HX1BJ8
More data for this
Ligand-Target Pair
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		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)
PDB

UniProtKB/SwissProt

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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem
Article
PubMed
n/an/a 6.40n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		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)
PDB

UniProtKB/SwissProt

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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
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UniChem
Article
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n/an/a 12n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		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)
PDB

UniProtKB/SwissProt

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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544444
PNG
(CHEMBL4649112 | US11192850, Entry 4x)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-6-5-11(14(9-12)18(22,23)24)4-1-10-2-7-13(8-3-10)25-15(26)16(27)28/h2-3,5-9H,(H,25,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
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UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544444
PNG
(CHEMBL4649112 | US11192850, Entry 4x)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-6-5-11(14(9-12)18(22,23)24)4-1-10-2-7-13(8-3-10)25-15(26)16(27)28/h2-3,5-9H,(H,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
Triple specificity protein phosphatase PtpB


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

UniProtKB/SwissProt

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US Patent
n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


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

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem
Article
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n/an/a 15n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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)		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)
PDB
MMDB

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UniProtKB/TrEMBL

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UniChem
Article
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n/an/a 21n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB I203A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...

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)		BDBM50544421
PNG
(CHEMBL4633958)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H11NO5/c19-15(17(22)23)18-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)16(20)21/h3-10H,(H,18,19)(H,20,21)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544443
PNG
(CHEMBL4641106 | US11192850, Entry 4w)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C18H9F3N2O3/c19-18(20,21)14-6-5-12(13(9-14)10-22)4-1-11-2-7-15(8-3-11)23-16(24)17(25)26/h2-3,5-9H,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
Triple specificity protein phosphatase PtpB


()		BDBM528529
PNG
(US11192850, Entry 4a)
Show SMILES COC(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
PDB

UniProtKB/SwissProt

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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544443
PNG
(CHEMBL4641106 | US11192850, Entry 4w)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1C#N)C(F)(F)F
Show InChI InChI=1S/C18H9F3N2O3/c19-18(20,21)14-6-5-12(13(9-14)10-22)4-1-11-2-7-15(8-3-11)23-16(24)17(25)26/h2-3,5-9H,(H,23,24)(H,25,26)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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)		BDBM50544422
PNG
(CHEMBL4647032 | US11192850, Entry 4b)
Show SMILES COC(=O)c1cc(ccc1O)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C18H13NO6/c1-25-18(24)14-10-12(6-9-15(14)20)3-2-11-4-7-13(8-5-11)19-16(21)17(22)23/h4-10,20H,1H3,(H,19,21)(H,22,23)
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Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB I203A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544422
PNG
(CHEMBL4647032 | US11192850, Entry 4b)
Show SMILES COC(=O)c1cc(ccc1O)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C18H13NO6/c1-25-18(24)14-10-12(6-9-15(14)20)3-2-11-4-7-13(8-5-11)19-16(21)17(22)23/h4-10,20H,1H3,(H,19,21)(H,22,23)
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Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544428
PNG
(CHEMBL4645770 | US11192850, Entry 4h)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C20H19NO3/c1-20(2,3)16-10-6-14(7-11-16)4-5-15-8-12-17(13-9-15)21-18(22)19(23)24/h6-13H,1-3H3,(H,21,22)(H,23,24)
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Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544428
PNG
(CHEMBL4645770 | US11192850, Entry 4h)
Show SMILES CC(C)(C)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C20H19NO3/c1-20(2,3)16-10-6-14(7-11-16)4-5-15-8-12-17(13-9-15)21-18(22)19(23)24/h6-13H,1-3H3,(H,21,22)(H,23,24)
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Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544429
PNG
(CHEMBL4649838 | US11192850, Entry 4i)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)25-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)21-15(22)16(23)24/h3-10H,(H,21,22)(H,23,24)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544429
PNG
(CHEMBL4649838 | US11192850, Entry 4i)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)25-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)21-15(22)16(23)24/h3-10H,(H,21,22)(H,23,24)
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Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
Triple specificity protein phosphatase PtpB


()		BDBM50544424
PNG
(CHEMBL4632655 | US11192850, Entry 4d)
Show SMILES COC(=O)c1cc(C#Cc2ccc(NC(=O)C(O)=O)cc2)c(cc1O)N(C)C
Show InChI InChI=1S/C20H18N2O6/c1-22(2)16-11-17(23)15(20(27)28-3)10-13(16)7-4-12-5-8-14(9-6-12)21-18(24)19(25)26/h5-6,8-11,23H,1-3H3,(H,21,24)(H,25,26)
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Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544424
PNG
(CHEMBL4632655 | US11192850, Entry 4d)
Show SMILES COC(=O)c1cc(C#Cc2ccc(NC(=O)C(O)=O)cc2)c(cc1O)N(C)C
Show InChI InChI=1S/C20H18N2O6/c1-22(2)16-11-17(23)15(20(27)28-3)10-13(16)7-4-12-5-8-14(9-6-12)21-18(24)19(25)26/h5-6,8-11,23H,1-3H3,(H,21,24)(H,25,26)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM528531
PNG
(BDBM50544423 | US11192850, Entry 4c)
Show SMILES COC(=O)c1ccc(cc1O)C#Cc1ccc(NC(=O)C(O)=O)cc1
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Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM528531
PNG
(BDBM50544423 | US11192850, Entry 4c)
Show SMILES COC(=O)c1ccc(cc1O)C#Cc1ccc(NC(=O)C(O)=O)cc1
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544434
PNG
(CHEMBL4644874 | US11192850, Entry 4n)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(O)c(Br)c1
Show InChI InChI=1S/C16H10BrNO4/c17-13-9-11(5-8-14(13)19)2-1-10-3-6-12(7-4-10)18-15(20)16(21)22/h3-9,19H,(H,18,20)(H,21,22)
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Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544434
PNG
(CHEMBL4644874 | US11192850, Entry 4n)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(O)c(Br)c1
Show InChI InChI=1S/C16H10BrNO4/c17-13-9-11(5-8-14(13)19)2-1-10-3-6-12(7-4-10)18-15(20)16(21)22/h3-9,19H,(H,18,20)(H,21,22)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544439
PNG
(CHEMBL4646506 | US11192850, Entry 4s)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C21H20N2O5/c1-21(2,3)28-20(27)23-17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)22-18(24)19(25)26/h6-13H,1-3H3,(H,22,24)(H,23,27)(H,25,26)
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Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544439
PNG
(CHEMBL4646506 | US11192850, Entry 4s)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C21H20N2O5/c1-21(2,3)28-20(27)23-17-12-8-15(9-13-17)5-4-14-6-10-16(11-7-14)22-18(24)19(25)26/h6-13H,1-3H3,(H,22,24)(H,23,27)(H,25,26)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544438
PNG
(CHEMBL4635765 | US11192850, Entry 4r)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H17NO4/c25-22(23(26)27)24-20-12-8-17(9-13-20)6-7-18-10-14-21(15-11-18)28-16-19-4-2-1-3-5-19/h1-5,8-15H,16H2,(H,24,25)(H,26,27)
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Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544438
PNG
(CHEMBL4635765 | US11192850, Entry 4r)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H17NO4/c25-22(23(26)27)24-20-12-8-17(9-13-20)6-7-18-10-14-21(15-11-18)28-16-19-4-2-1-3-5-19/h1-5,8-15H,16H2,(H,24,25)(H,26,27)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB I203A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...

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

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB I203A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...

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)		BDBM50544430
PNG
(CHEMBL4647377 | US11192850, Entry 4j)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)21-15(22)16(23)24/h1-3,6-10H,(H,21,22)(H,23,24)
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Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544430
PNG
(CHEMBL4647377 | US11192850, Entry 4j)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)21-15(22)16(23)24/h1-3,6-10H,(H,21,22)(H,23,24)
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Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
Triple specificity protein phosphatase PtpB


()		BDBM50544425
PNG
(CHEMBL4640123 | US11192850, Entry 4e)
Show SMILES COC(=O)c1cc(C#Cc2cccc(NC(=O)C(O)=O)c2)c(cc1O)N(C)C
Show InChI InChI=1S/C20H18N2O6/c1-22(2)16-11-17(23)15(20(27)28-3)10-13(16)8-7-12-5-4-6-14(9-12)21-18(24)19(25)26/h4-6,9-11,23H,1-3H3,(H,21,24)(H,25,26)
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 57n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544425
PNG
(CHEMBL4640123 | US11192850, Entry 4e)
Show SMILES COC(=O)c1cc(C#Cc2cccc(NC(=O)C(O)=O)c2)c(cc1O)N(C)C
Show InChI InChI=1S/C20H18N2O6/c1-22(2)16-11-17(23)15(20(27)28-3)10-13(16)8-7-12-5-4-6-14(9-12)21-18(24)19(25)26/h4-6,9-11,23H,1-3H3,(H,21,24)(H,25,26)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem
Article
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n/an/a 57n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544436
PNG
(CHEMBL4649291 | US11192850, Entry 4p)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544436
PNG
(CHEMBL4649291 | US11192850, Entry 4p)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H9F6NO3/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)2-1-10-3-5-14(6-4-10)25-15(26)16(27)28/h3-9H,(H,25,26)(H,27,28)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
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n/an/a 60n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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)		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)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem
Article
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n/an/a 75n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB I207A mutant expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measur...

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
Triple specificity protein phosphatase PtpB


()		BDBM50544432
PNG
(CHEMBL4642274 | US11192850, Entry 4l)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
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UniChem
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TBA

Assay Description
Compounds were tested against mPTPB using the p-nitrophenyl phosphate (pNPP) assay system in a Cary 100 UV-Vis spectrophotometer by monitoring the in...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q81H82
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50544432
PNG
(CHEMBL4642274 | US11192850, Entry 4l)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
Show InChI InChI=1S/C16H12N2O5S/c17-24(22,23)14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)18-15(19)16(20)21/h3-10H,(H,18,19)(H,20,21)(H2,17,22,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB expressed in Escherichia coli BL21 (DE3) using p-nitrophenyl phosphate as substrate measured after 30 m...

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
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