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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50207014'   
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))
BDBM50207014
PNG
(2-(4,5-dibromo-2-(2-hydroxyacetyl)thiophen-3-yloxy...)
Show SMILES OCC(=O)c1sc(Br)c(Br)c1OCC(O)=O
Show InChI InChI=1S/C8H6Br2O5S/c9-5-6(15-2-4(13)14)7(3(12)1-11)16-8(5)10/h11H,1-2H2,(H,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.10E+5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50207014
PNG
(2-(4,5-dibromo-2-(2-hydroxyacetyl)thiophen-3-yloxy...)
Show SMILES OCC(=O)c1sc(Br)c(Br)c1OCC(O)=O
Show InChI InChI=1S/C8H6Br2O5S/c9-5-6(15-2-4(13)14)7(3(12)1-11)16-8(5)10/h11H,1-2H2,(H,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B assessed as pNPP hydrolysis


Bioorg Med Chem Lett 17: 2913-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.043
BindingDB Entry DOI: 10.7270/Q29S1QPC
More data for this
Ligand-Target Pair