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PubMed code 12419386

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50121107
PNG
(CHEMBL324473 | {3-[(1Z)-3-(allyloxy)-3-oxoprop-1-e...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1cccc(\C=C/C(=O)OCC=C)c1
Show InChI InChI=1S/C13H13F2O5P/c1-2-8-20-12(16)7-6-10-4-3-5-11(9-10)13(14,15)21(17,18)19/h2-7,9H,1,8H2,(H2,17,18,19)/p-2/b7-6-
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PubMed
8.00E+6n/an/an/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Binding affinity towards protein-tyrosine phosphatase 1B (PTP1B)


Bioorg Med Chem Lett 12: 3471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2B27VVM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50121106
PNG
(1,1'-biphenyl-3-yl(difluoro)methylphosphonate)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C13H11F2O3P/c14-13(15,19(16,17)18)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)/p-2
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein-tyrosine phosphatase 1B (PTB 1B)


Bioorg Med Chem Lett 12: 3471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2B27VVM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50075302
PNG
((3-ethynylphenyl)(difluoro)methylphosphonate | CHE...)
Show SMILES OP(O)(=O)C(F)(F)c1cccc(c1)C#C
Show InChI InChI=1S/C9H7F2O3P/c1-2-7-4-3-5-8(6-7)9(10,11)15(12,13)14/h1,3-6H,(H2,12,13,14)
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory concentration against protein-tyrosine phosphatase 1B (PTB 1B)


Bioorg Med Chem Lett 12: 3471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2B27VVM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50075314
PNG
(CHEMBL151300 | difluoro{3-[(E)-2-phenylvinyl]pheny...)
Show SMILES OP(O)(=O)C(F)(F)c1cccc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C15H13F2O3P/c16-15(17,21(18,19)20)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H,(H2,18,19,20)/b10-9+
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n/an/a 3.86E+5n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Concentration at which it inhibits protein-tyrosine phosphatase 1B (PTB 1B) was determined; Weak inhibition


Bioorg Med Chem Lett 12: 3471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2B27VVM
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50121107
PNG
(CHEMBL324473 | {3-[(1Z)-3-(allyloxy)-3-oxoprop-1-e...)
Show SMILES [O-]P([O-])(=O)C(F)(F)c1cccc(\C=C/C(=O)OCC=C)c1
Show InChI InChI=1S/C13H13F2O5P/c1-2-8-20-12(16)7-6-10-4-3-5-11(9-10)13(14,15)21(17,18)19/h2-7,9H,1,8H2,(H2,17,18,19)/p-2/b7-6-
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PubMed
n/an/a 1.22E+7n/an/an/an/an/an/a



University of Waterloo

Curated by ChEMBL


Assay Description
Inhibitory concentration against Protein-tyrosine phosphatase 1B (PTP1B)


Bioorg Med Chem Lett 12: 3471-4 (2002)


BindingDB Entry DOI: 10.7270/Q2B27VVM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%