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PDB code 3I7Z

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 7 hits 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein tyrosine phosphatase 1B (PTP1B)

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 25.4n/an/an/an/a7.537



Chulalongkorn University



Assay Description
PTP1B was diluted before the experiment to 1.2 μg/mL in Tris buffer, pH7.6 (10 mM Tris, 1.0 mM EDTA, 3.0 mM DTT, 0.01% w/v NaN3). The tested com...


J Enzyme Inhib Med Chem 28: 1067-72 (2013)


Article DOI: 10.3109/14756366.2012.715286
BindingDB Entry DOI: 10.7270/Q2FN1530
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 46n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) expressed in Escherichia coli using pNPP as substrate measured after 30 mins


Bioorg Med Chem Lett 27: 2166-2170 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.060
BindingDB Entry DOI: 10.7270/Q2FR0024
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 46n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B assessed as inhibition of hydrolysis of p-nitrophenol after 10 mins by spectrophotometry


Eur J Med Chem 57: 10-20 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.015
BindingDB Entry DOI: 10.7270/Q2HX1DRS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B using pNPP as substrate assessed as residual activity after 30 mins by spectrometric method


J Nat Prod 81: 2091-2100 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00450
BindingDB Entry DOI: 10.7270/Q2MG7S40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 4.58E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B using para-nitrophenylphosphate as substrate by high throughput screening assay


Bioorg Med Chem Lett 22: 7440-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.054
BindingDB Entry DOI: 10.7270/Q21C1Z14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
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n/an/a 7.83E+3n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate assessed as inhibition of release of p-nitrophenol preinc...


Eur J Med Chem 79: 34-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.080
BindingDB Entry DOI: 10.7270/Q2H133J5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B

  (321/321 = 100%)
(Homo sapiens (Human))
BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
PDB
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KEGG

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CHEBI
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Article
PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 20: 2172-9 (2012)


Article DOI: 10.1016/j.bmc.2011.12.027
BindingDB Entry DOI: 10.7270/Q2T72JKG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output