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8 similar compounds to monomer 50102186

Compile data set for download or QSAR
Wt: 387.1
BDBM50069997
Wt: 387.1
BDBM50070003
Wt: 284.1
BDBM50075308
Wt: 258.1
BDBM50075312
Wt: 232.1
BDBM50075313
Wt: 384.1
BDBM50107745
Wt: 189.1
BDBM50129059
Wt: 189.1
BDBM50129060

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50069997,50070003,50075308,50075312,50075313,50107745,50129059,50129060   
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))
BDBM50069997
PNG
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(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-1
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1.60E+4n/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)
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)
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50075312
PNG
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)
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1.79E+5n/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)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50075312
PNG
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)
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1.79E+5n/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 (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50075312
PNG
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)
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1.97E+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))
BDBM50129060
PNG
((S)-Fluoro-phenyl-methanephosphonic acid anion)
Show SMILES OP([O-])(=O)[C@H](F)c1ccccc1
Show InChI InChI=1S/C7H8FO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)/p-1
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5.30E+5n/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
Mandelate racemase (MR)


(Pseudomonas putida (g-Proteobacteria))
BDBM50129059
PNG
((R)-Fluoro-phenyl-methanephosphonic acid anion | h...)
Show SMILES OP([O-])(=O)[C@@H](F)c1ccccc1
Show InChI InChI=1S/C7H8FO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)/p-1
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8.10E+5n/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
Mandelate racemase


(Pseudomonas putida (g-Proteobacteria))
BDBM50129059
PNG
((R)-Fluoro-phenyl-methanephosphonic acid anion | h...)
Show SMILES OP([O-])(=O)[C@@H](F)c1ccccc1
Show InChI InChI=1S/C7H8FO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)/p-1
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1.11E+6n/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))
BDBM50075312
PNG
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B expressed in Escherichia coli BL21(DE3) cells


Bioorg Med Chem 16: 6764-77 (2008)


Article DOI: 10.1016/j.bmc.2008.05.062
BindingDB Entry DOI: 10.7270/Q2930V2P
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50075312
PNG
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)
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n/an/a 9.50E+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))
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)
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
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50075312
PNG
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)
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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
Tyrosine-Protein Phosphatase (CD45)


(Homo sapiens (Human))
BDBM50069997
PNG
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(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-1
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n/an/a 1.80E+5n/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))
BDBM50069997
PNG
(Ammonium; [7-(difluoro-phosphono-methyl)-naphthale...)
Show SMILES OP(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-1
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n/an/a 2.60E+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))
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))
BDBM50075312
PNG
((Difluoro-naphthalen-2-yl-methyl)-phosphonic acid ...)
Show SMILES OP(O)(=O)C(F)(F)c1ccc2ccccc2c1
Show InChI InChI=1S/C11H9F2O3P/c12-11(13,17(14,15)16)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,14,15,16)
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n/an/a 7.18E+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)