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3 similar compounds to monomer 50129059

Compile data set for download or QSAR
Wt: 348.1
BDBM50070000
Wt: 208.0
BDBM50102186
Wt: 189.1
BDBM50129060

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50070000,50102186,50129060   
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))
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)
PDB
MMDB

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Article
PubMed
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)
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
PDB

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Article
PubMed
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))
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)
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
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))
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
PDB
MMDB

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Article
PubMed
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
PDB
MMDB

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Article
PubMed
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