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BDBM124230 1-(4-(2-Methoxy-2-oxoacetyl)phenyl)-1H-1,2,3-triazol-4- ylmethyl 2,3,4,6-tetra-O-benzyl-a-D-glucopyranoside (17)

SMILES: COC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1

InChI Key: InChIKey=VDANFTJHLYOAAZ-OJNKIDGWSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124230   
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))
BDBM124230
PNG
(1-(4-(2-Methoxy-2-oxoacetyl)phenyl)-1H-1,2,3-triaz...)
Show SMILES COC(=O)C(=O)c1ccc(cc1)-n1cc(CO[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1
Show InChI InChI=1S/C46H45N3O9/c1-52-45(51)41(50)37-22-24-39(25-23-37)49-26-38(47-48-49)31-57-46-44(56-30-36-20-12-5-13-21-36)43(55-29-35-18-10-4-11-19-35)42(54-28-34-16-8-3-9-17-34)40(58-46)32-53-27-33-14-6-2-7-15-33/h2-26,40,42-44,46H,27-32H2,1H3/t40-,42-,43+,44-,46+/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 1.23E+4n/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