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Compile Data Set for Download or QSAR

Found 583 hits with Last Name = 'zhang' and Initial = 'ry'   
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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50112356
PNG
(CHEMBL3609373)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(NC(=O)C(=O)Nc2ccc(I)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18IN3O6S/c23-15-6-8-16(9-7-15)25-21(28)22(29)26-18-12-10-17(11-13-18)24-20(27)19(33(30,31)32)14-4-2-1-3-5-14/h1-13,19H,(H,24,27)(H,25,28)(H,26,29)(H,30,31,32)
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510n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50558461
PNG
(CHEMBL4760367)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of His-tagged LMW-PTP isoform A (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50558482
PNG
(CHEMBL4742123)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
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1.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of LMW-PTP isoform B (unknown origin) using para-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50558482
PNG
(CHEMBL4742123)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
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3.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of His-tagged LMW-PTP isoform A (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50420258
PNG
(CEFSULODIN)
Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S(O)(=O)=O)C3=O)C(O)=O)cc1 |t:8|
Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p+1/t15-,17?,21-/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of phosphatase activity of SHP2 (unknown origin) using pNPP as a substrate Lineweaver-Burk plot analysis


ACS Med Chem Lett 6: 782-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00118
BindingDB Entry DOI: 10.7270/Q2251M0S
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)
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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
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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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
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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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
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)
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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
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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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)
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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)
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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
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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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
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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n/an/a 25n/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)
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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n/an/a 25n/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)
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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n/an/a 26n/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)
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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n/an/a 27n/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)
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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n/an/a 30n/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)
BDBM528531
PNG
(BDBM50544423 | US11192850, Entry 4c)
Show SMILES COC(=O)c1ccc(cc1O)C#Cc1ccc(NC(=O)C(O)=O)cc1
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n/an/a 32n/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)
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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n/an/a 33n/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)
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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n/an/a 35n/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)
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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n/an/a 40n/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)
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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n/an/a 53n/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)
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)
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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)
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)
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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)
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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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
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)
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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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544426
PNG
(CHEMBL4636357 | US11192850, Entry 4f)
Show SMILES CN(C)c1cc(O)c(cc1C#Cc1ccc(NC(=O)C(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C19H16N2O6/c1-21(2)15-10-16(22)14(18(24)25)9-12(15)6-3-11-4-7-13(8-5-11)20-17(23)19(26)27/h4-5,7-10,22H,1-2H3,(H,20,23)(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)
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 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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544437
PNG
(CHEMBL4635176 | US11192850, Entry 4q)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H13NO3/c22-19(20(23)24)21-18-11-8-14(9-12-18)5-6-15-7-10-16-3-1-2-4-17(16)13-15/h1-4,7-13H,(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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544433
PNG
(CHEMBL4649071 | US11192850, Entry 4m)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(O)cc1
Show InChI InChI=1S/C16H11NO4/c18-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)17-15(19)16(20)21/h3-10,18H,(H,17,19)(H,20,21)
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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)
BDBM50544435
PNG
(CHEMBL4649843 | US11192850, Entry 4o)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C#N
Show InChI InChI=1S/C17H10N2O3/c18-11-14-5-3-12(4-6-14)1-2-13-7-9-15(10-8-13)19-16(20)17(21)22/h3-10H,(H,19,20)(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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544427
PNG
(CHEMBL4632818 | US11192850, Entry 4g)
Show SMILES CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O
Show InChI InChI=1S/C19H16N2O6/c1-21(2)15-10-16(22)14(18(24)25)9-12(15)7-6-11-4-3-5-13(8-11)20-17(23)19(26)27/h3-5,8-10,22H,1-2H3,(H,20,23)(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 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
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 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
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544448
PNG
(CHEMBL4647989 | US11192850, Entry 12)
Show SMILES OC(=O)C(=O)Nc1ccc(CCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H14F3NO3/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,1-2H2,(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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 200n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054257
PNG
(CHEMBL3319376 | US9522881, 11a-21 L97L08 | US98445...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-3-2-4-22(13-20)35-30(39)29(38)34-21-11-9-19(10-12-21)18-7-5-17(16-33)6-8-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 220n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544420
PNG
(CHEMBL4635310 | US11192850, Entry 4)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(16(19)20)17-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H,17,18)(H,19,20)
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n/an/a 257n/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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054258
PNG
(CHEMBL3319377 | US9522881, 11a-22 L97L07 | US98445...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-6-3-7-22(13-20)35-30(39)29(38)34-21-10-8-18(9-11-21)19-5-2-4-17(12-19)16-33/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 310n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054259
PNG
(CHEMBL3319378 | US9522881, 11a-23 L97L03)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccccc2-c2ccc(CO)o2)c1
Show InChI InChI=1S/C29H22IN3O7/c1-33-22-13-23(35)20(29(38)39)12-19(22)25(30)26(33)15-5-4-6-16(11-15)31-27(36)28(37)32-21-8-3-2-7-18(21)24-10-9-17(14-34)40-24/h2-13,34-35H,14H2,1H3,(H,31,36)(H,32,37)(H,38,39)
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n/an/a 370n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
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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n/an/a 374n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB I207K 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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054260
PNG
(CHEMBL3319379 | US9522881, 11a-24 L97L05 | US98445...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccco2)c1
Show InChI InChI=1S/C28H20IN3O6/c1-32-21-14-22(33)20(28(36)37)13-19(21)24(29)25(32)16-6-3-8-18(12-16)31-27(35)26(34)30-17-7-2-5-15(11-17)23-9-4-10-38-23/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 380n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50054261
PNG
(CHEMBL3319380 | US9522881, 11a-25 L97L06 | US98445...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2cccc(c2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C31H21IN4O5/c1-36-25-15-26(37)24(31(40)41)14-23(25)27(32)28(36)20-5-3-7-22(13-20)35-30(39)29(38)34-21-6-2-4-19(12-21)18-10-8-17(16-33)9-11-18/h2-15,37H,1H3,(H,34,38)(H,35,39)(H,40,41)
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n/an/a 420n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using p-nitrophenyl phosphate substrate by microplate spectrophotometry


J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)
BDBM50544451
PNG
(CHEMBL4649025 | US11192850, Compound 5)
Show SMILES OC(=O)C(=O)Nc1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-15(16(19)20)17-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H,17,18)(H,19,20)
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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
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