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12 molecules are shown

Compile data set for download or QSAR
Wt: 310.2
BDBM50075304
Wt: 308.2
BDBM50075305
Wt: 284.1
BDBM50075308
Wt: 232.1
BDBM50075313
Wt: 466.2
BDBM50107743
Wt: 558.3
BDBM50142308
Wt: 550.4
BDBM50142309
Wt: 636.4
BDBM50142311
Wt: 628.4
BDBM50142313
Wt: 416.3
BDBM50142314
Wt: 402.3
BDBM50224551
Wt: 295.1
BDBM50379185
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50075304,50075305,50075308,50075313,50107743,50142308,50142309,50142311,50142313,50142314,50224551,50379185   
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))
BDBM50379185
PNG
(CHEMBL1232859)
Show SMILES N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...


Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50107743
PNG
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4
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1.50E+3n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Binding affinity towards the site of PTP1B enzyme


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)
Probable low molecular weight protein-tyrosine-phosphatase


(Mycobacterium tuberculosis)
BDBM50075308
PNG
((Biphenyl-4-yl-difluoro-methyl)-phosphonic acid | ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H11F2O3P/c14-13(15,19(16,17)18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PtpA


Bioorg Med Chem Lett 19: 6851-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.090
BindingDB Entry DOI: 10.7270/Q21G0MDK
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50075308
PNG
((Biphenyl-4-yl-difluoro-methyl)-phosphonic acid | ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H11F2O3P/c14-13(15,19(16,17)18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)
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1.20E+5n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Inhibition of human STEP using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis


J Med Chem 56: 7636-50 (2013)


Article DOI: 10.1021/jm401037h
BindingDB Entry DOI: 10.7270/Q2HH6MHW
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50142311
PNG
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)
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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
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142309
PNG
(4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-...)
Show SMILES OC(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H25F2O6P/c31-30(32,39(36,37)38)26-17-13-22(14-18-26)20-29(25-9-5-2-6-10-25,27(33)23-7-3-1-4-8-23)19-21-11-15-24(16-12-21)28(34)35/h1-18H,19-20H2,(H,34,35)(H2,36,37,38)
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n/an/a 800n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142311
PNG
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)
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n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142309
PNG
(4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-...)
Show SMILES OC(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H25F2O6P/c31-30(32,39(36,37)38)26-17-13-22(14-18-26)20-29(25-9-5-2-6-10-25,27(33)23-7-3-1-4-8-23)19-21-11-15-24(16-12-21)28(34)35/h1-18H,19-20H2,(H,34,35)(H2,36,37,38)
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n/an/a 6.63E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142311
PNG
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)
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n/an/a 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50075304
PNG
(CHEMBL150295 | {Difluoro-[4-((E)-styryl)-phenyl]-m...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C15H13F2O3P/c16-15(17,21(18,19)20)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H,(H2,18,19,20)/b7-6+
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n/an/a 4.50E+5n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate


Bioorg Med Chem Lett 9: 529-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00027-x
BindingDB Entry DOI: 10.7270/Q29K49DW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50075305
PNG
(CHEMBL149279 | [Difluoro-(4-phenylethynyl-phenyl)-...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C15H11F2O3P/c16-15(17,21(18,19)20)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,(H2,18,19,20)
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n/an/a 1.28E+5n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate


Bioorg Med Chem Lett 9: 529-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00027-x
BindingDB Entry DOI: 10.7270/Q29K49DW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50075308
PNG
((Biphenyl-4-yl-difluoro-methyl)-phosphonic acid | ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C13H11F2O3P/c14-13(15,19(16,17)18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18)
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n/an/a 7.79E+5n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate


Bioorg Med Chem Lett 9: 529-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00027-x
BindingDB Entry DOI: 10.7270/Q29K49DW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50075313
PNG
(CHEMBL150915 | [(4-Ethynyl-phenyl)-difluoro-methyl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C#C
Show InChI InChI=1S/C9H7F2O3P/c1-2-7-3-5-8(6-4-7)9(10,11)15(12,13)14/h1,3-6H,(H2,12,13,14)
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n/an/a 7.75E+4n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound for the protein tyrosine phosphatase(PTP 1B)-catalyzed hydrolysis of p-nitrophenol phosphate


Bioorg Med Chem Lett 9: 529-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00027-x
BindingDB Entry DOI: 10.7270/Q29K49DW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142308
PNG
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)
Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C20H20F4O10P2/c1-34-17(27)18(16(25)26,10-12-2-6-14(7-3-12)19(21,22)35(28,29)30)11-13-4-8-15(9-5-13)20(23,24)36(31,32)33/h2-9H,10-11H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142309
PNG
(4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-...)
Show SMILES OC(=O)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H25F2O6P/c31-30(32,39(36,37)38)26-17-13-22(14-18-26)20-29(25-9-5-2-6-10-25,27(33)23-7-3-1-4-8-23)19-21-11-15-24(16-12-21)28(34)35/h1-18H,19-20H2,(H,34,35)(H2,36,37,38)
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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
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142311
PNG
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)
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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
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142313
PNG
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)
Show SMILES CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C
Show InChI InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37)
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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
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142314
PNG
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28)
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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
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142313
PNG
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)
Show SMILES CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C
Show InChI InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50142308
PNG
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)
Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C20H20F4O10P2/c1-34-17(27)18(16(25)26,10-12-2-6-14(7-3-12)19(21,22)35(28,29)30)11-13-4-8-15(9-5-13)20(23,24)36(31,32)33/h2-9H,10-11H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33)
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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
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142314
PNG
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50224551
PNG
(CHEMBL400572 | difluoro(4-(2-oxo-1,2-diphenylethyl...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(cc1)C(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17F2O4P/c22-21(23,28(25,26)27)18-13-11-16(12-14-18)19(15-7-3-1-4-8-15)20(24)17-9-5-2-6-10-17/h1-14,19H,(H2,25,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Heriot-Watt University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Sf9 cells


Bioorg Med Chem Lett 17: 6579-83 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.069
BindingDB Entry DOI: 10.7270/Q2W37W1K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50107743
PNG
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-1.


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
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50107743
PNG
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4
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n/an/a 1.98E+5n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase CD45.


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
Receptor-type tyrosine-protein phosphatase beta (PTPβ)


(Homo sapiens (Human))
BDBM50107743
PNG
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4
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n/an/a 3.42E+5n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase PTPbeta.


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
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50107743
PNG
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase TCPTP.


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
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50107743
PNG
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory activity against Protein tyrosine phosphatase SHP-2.


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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50107743
PNG
([(4-{4-[4-(Difluoro-phosphono-methyl)-phenyl]-buty...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1ccc(CCCCc2ccc(cc2)C(F)(F)P([O-])([O-])=O)cc1
Show InChI InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28)/p-4
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n/an/a 4.40E+3n/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))
BDBM50142314
PNG
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28)
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n/an/a 2.00E+3n/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))
BDBM50142314
PNG
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28)
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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))
BDBM50142314
PNG
(CHEMBL267022 | difluoro(4-(3-oxo-2,3-diphenylpropy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19F2O4P/c23-22(24,29(26,27)28)19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)21(25)18-9-5-2-6-10-18/h1-14,20H,15H2,(H2,26,27,28)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142311
PNG
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)
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n/an/a 580n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Protein tyrosine phosphatase 1B (PTP1B) overexpressed in intact Sf9 cell assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142311
PNG
(CHEMBL266056 | [(4-{2-[4-(Difluoro-phosphono-methy...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H26F4O7P2/c31-29(32,42(36,37)38)25-15-11-21(12-16-25)19-28(24-9-5-2-6-10-24,27(35)23-7-3-1-4-8-23)20-22-13-17-26(18-14-22)30(33,34)43(39,40)41/h1-18H,19-20H2,(H2,36,37,38)(H2,39,40,41)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142313
PNG
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)
Show SMILES CC(C)OC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)OC(C)C
Show InChI InChI=1S/C25H30F4O10P2/c1-15(2)38-21(30)23(22(31)39-16(3)4,13-17-5-9-19(10-6-17)24(26,27)40(32,33)34)14-18-7-11-20(12-8-18)25(28,29)41(35,36)37/h5-12,15-16H,13-14H2,1-4H3,(H2,32,33,34)(H2,35,36,37)
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n/an/a 110n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against CD45 protein-tyrosine phosphatase


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50142308
PNG
(2,2-Bis-[4-(difluoro-phosphono-methyl)-benzyl]-mal...)
Show SMILES COC(=O)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C20H20F4O10P2/c1-34-17(27)18(16(25)26,10-12-2-6-14(7-3-12)19(21,22)35(28,29)30)11-13-4-8-15(9-5-13)20(23,24)36(31,32)33/h2-9H,10-11H2,1H3,(H,25,26)(H2,28,29,30)(H2,31,32,33)
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n/an/a 390n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against protein tyrosine phosphatase 1B (PTP1B) was determined in fluorescein diphosphate (FDP) assay


Bioorg Med Chem Lett 14: 1039-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.048
BindingDB Entry DOI: 10.7270/Q28C9VPM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)