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9 molecules are shown

Wt: 387.1
BDBM50069998
Wt: 348.1
BDBM50070000
Wt: 256.1
BDBM50070001
Wt: 312.1
BDBM50070002
Wt: 387.1
BDBM50070003
Wt: 302.1
BDBM50103227
Wt: 208.0
BDBM50102186
Wt: 384.1
BDBM50107745
Wt: 362.0
BDBM50239833
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50069998,50070000,50070001,50070002,50070003,50103227,50102186,50107745,50239833   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50102186
PNG
((Difluoro-phenyl-methyl)-phosphonic acid | CHEMBL5...)
Show SMILES OP(O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2O3P/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
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2.50E+3n/an/an/an/an/an/an/an/a



Brown University

Curated by ChEMBL


Assay Description
Inhibitory activity against Yersinia Protein-tyrosine phosphatase 1B


Bioorg Med Chem Lett 11: 1935-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00325-0
BindingDB Entry DOI: 10.7270/Q23B5ZDV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50069998
PNG
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2cccc(c2c1)C(F)(F)P(O)([O-])=O
Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)8-5-4-7-2-1-3-10(9(7)6-8)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1
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9.00E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory constant against CD45


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50103227
PNG
(6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...)
Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)
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2.20E+4n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human Protein-tyrosinephosphatase 1B (PTP1B)


J Med Chem 44: 2869-78 (2001)


Article DOI: 10.1021/jm010020r
BindingDB Entry DOI: 10.7270/Q237781C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50103227
PNG
(6-(Difluoro-phosphono-methyl)-naphthalene-2-carbox...)
Show SMILES OC(=O)c1ccc2cc(ccc2c1)C(F)(F)P(O)(O)=O
Show InChI InChI=1S/C12H9F2O5P/c13-12(14,20(17,18)19)10-4-3-7-5-9(11(15)16)2-1-8(7)6-10/h1-6H,(H,15,16)(H2,17,18,19)
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2.20E+4n/an/an/an/an/an/an/an/a



NIH

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards recombinant human Protein-tyrosine phosphatase 1B was determined


Bioorg Med Chem Lett 13: 3005-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00635-8
BindingDB Entry DOI: 10.7270/Q22F7MV1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50070001
PNG
(difluoro(1-naphthyl)methylphosphonate)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1cccc2ccccc12
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,14,15,16)/p-2
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2.55E+5n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory constant against PTP1B


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM50102186
PNG
((Difluoro-phenyl-methyl)-phosphonic acid | CHEMBL5...)
Show SMILES OP(O)(=O)C(F)(F)c1ccccc1
Show InChI InChI=1S/C7H7F2O3P/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)
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1.20E+7n/an/an/an/an/an/a7.5n/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5


Bioorg Med Chem Lett 13: 2041-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00311-1
BindingDB Entry DOI: 10.7270/Q2XP75HB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50239833
PNG
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N
Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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n/an/a 120n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


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 (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50069998
PNG
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2cccc(c2c1)C(F)(F)P(O)([O-])=O
Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)8-5-4-7-2-1-3-10(9(7)6-8)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1
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n/an/a 1.18E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of PTP1B using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50070000
PNG
(fluoro{7-[fluoro(phosphonato)methyl]-2-naphthyl}me...)
Show SMILES [O-]P([O-])(=O)C(F)c1ccc2ccc(cc2c1)C(F)P([O-])([O-])=O
Show InChI InChI=1S/C12H12F2O6P2/c13-11(21(15,16)17)8-3-1-7-2-4-9(6-10(7)5-8)12(14)22(18,19)20/h1-6,11-12H,(H2,15,16,17)(H2,18,19,20)/p-4
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of PTP1B using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50070000
PNG
(fluoro{7-[fluoro(phosphonato)methyl]-2-naphthyl}me...)
Show SMILES [O-]P([O-])(=O)C(F)c1ccc2ccc(cc2c1)C(F)P([O-])([O-])=O
Show InChI InChI=1S/C12H12F2O6P2/c13-11(21(15,16)17)8-3-1-7-2-4-9(6-10(7)5-8)12(14)22(18,19)20/h1-6,11-12H,(H2,15,16,17)(H2,18,19,20)/p-4
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n/an/a 2.79E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of CD45 protein-tyrosine phosphatase using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50070002
PNG
([7-(phosphonatomethyl)-2-naphthyl]methylphosphonat...)
Show SMILES [O-]P([O-])(=O)Cc1ccc2ccc(CP([O-])([O-])=O)cc2c1
Show InChI InChI=1S/C12H14O6P2/c13-19(14,15)7-9-1-3-11-4-2-10(6-12(11)5-9)8-20(16,17)18/h1-6H,7-8H2,(H2,13,14,15)(H2,16,17,18)/p-4
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of CD45 protein-tyrosine phosphatase using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50070001
PNG
(difluoro(1-naphthyl)methylphosphonate)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1cccc2ccccc12
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,14,15,16)/p-2
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of CD45 using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50070002
PNG
([7-(phosphonatomethyl)-2-naphthyl]methylphosphonat...)
Show SMILES [O-]P([O-])(=O)Cc1ccc2ccc(CP([O-])([O-])=O)cc2c1
Show InChI InChI=1S/C12H14O6P2/c13-19(14,15)7-9-1-3-11-4-2-10(6-12(11)5-9)8-20(16,17)18/h1-6H,7-8H2,(H2,13,14,15)(H2,16,17,18)/p-4
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of PTP1B using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50070003
PNG
(Ammonium; [6-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2cc(ccc2c1)C(F)(F)P(O)([O-])=O
Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-5-10(4-2-8(7)6-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of CD45 protein-tyrosine phosphatase using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50070003
PNG
(Ammonium; [6-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2cc(ccc2c1)C(F)(F)P(O)([O-])=O
Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-5-10(4-2-8(7)6-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of PTP1B using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50107745
PNG
({7-[difluoro(phosphonato)methyl]-2-naphthyl}(diflu...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc2ccc(cc2c1)C(F)(F)P([O-])([O-])=O
Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)9-3-1-7-2-4-10(6-8(7)5-9)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-4
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B).


J Med Chem 44: 4584-94 (2001)


Article DOI: 10.1021/jm010266w
BindingDB Entry DOI: 10.7270/Q21Z455D
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50239833
PNG
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N
Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by fluorescein diphosphate assay


Bioorg Med Chem Lett 18: 3200-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.064
BindingDB Entry DOI: 10.7270/Q24M95DX
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50239833
PNG
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N
Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of CD45 by fluorescein diphosphate assay


Bioorg Med Chem Lett 18: 3200-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.064
BindingDB Entry DOI: 10.7270/Q24M95DX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50070001
PNG
(difluoro(1-naphthyl)methylphosphonate)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1cccc2ccccc12
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,14,15,16)/p-2
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n/an/a 1.12E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of PTP1B using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50069998
PNG
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2cccc(c2c1)C(F)(F)P(O)([O-])=O
Show InChI InChI=1S/C12H10F4O6P2/c13-11(14,23(17,18)19)8-5-4-7-2-1-3-10(9(7)6-8)12(15,16)24(20,21)22/h1-6H,(H2,17,18,19)(H2,20,21,22)/p-1
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Compound was evaluated for 50% inhibition of CD45 using uM)


Bioorg Med Chem Lett 8: 345-50 (1999)


Article DOI: 10.1016/s0960-894x(98)00027-4
BindingDB Entry DOI: 10.7270/Q2TD9XV0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50239833
PNG
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N
Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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US Patent
n/an/a 490n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay was carried out at room temperature in 96 well plates. The reaction mixture in 170 μl contained 50 mM Bis-Tris (pH=6.3), 2 mM EDTA, 5 ...


US Patent US10150787 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50239833
PNG
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N
Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


J Med Chem 53: 2333-44 (2010)


Article DOI: 10.1021/jm901090b
BindingDB Entry DOI: 10.7270/Q28P60MB
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50239833
PNG
((3-bromo-7-cyanonaphthalen-2-yl)difluoromethylphos...)
Show SMILES OP(O)(=O)C(F)(F)c1cc2cc(ccc2cc1Br)C#N
Show InChI InChI=1S/C12H7BrF2NO3P/c13-11-5-8-2-1-7(6-16)3-9(8)4-10(11)12(14,15)20(17,18)19/h1-5H,(H2,17,18,19)
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n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 53: 2333-44 (2010)


Article DOI: 10.1021/jm901090b
BindingDB Entry DOI: 10.7270/Q28P60MB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)