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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1B' and Ligand = 'BDBM124223'   
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))
BDBM124223
PNG
(Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4-acetylphenyl)-...)
Show SMILES CO[C@H]1O[C@H](COCc2cn(nn2)-c2ccc(cc2)C(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
Show InChI InChI=1S/C39H41N3O7/c1-28(43)32-18-20-34(21-19-32)42-22-33(40-41-42)26-45-27-35-36(46-23-29-12-6-3-7-13-29)37(47-24-30-14-8-4-9-15-30)38(39(44-2)49-35)48-25-31-16-10-5-11-17-31/h3-22,35-39H,23-27H2,1-2H3/t35-,36-,37+,38-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/a30



East China University of Science and Technology



Assay Description
The assay mixture (100 ??L) containing 50 mM MOPS (pH 6.5), 2 mM pNPP and PTP1B were monitored at 405 nm for 2 min at 30 ??C.


Carbohydr Res 346: 140-5 (2011)


Article DOI: 10.1016/j.carres.2010.10.023
BindingDB Entry DOI: 10.7270/Q2T43RRJ
More data for this
Ligand-Target Pair