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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1B' and Ligand = 'BDBM50391109'   
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
Protein-tyrosine phosphatase 1B


(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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PubMed
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


(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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PubMed
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


(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
MMDB

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KEGG

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Article
PubMed
n/an/a 7.83E+3n/an/an/an/an/an/a



Northwest 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


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
PDB
UniChem

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PDB
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)