new BindingDB logo
myBDB logout

BDBM50331676 (2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-(diethoxymethyl)-1H-1,2,3-triazol-1-yl)-1,2-dihydroxypropyl)-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylate::CHEMBL1289541

SMILES: CCOC(OCC)c1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1

InChI Key: InChIKey=VQMXQWNSQNFGMI-OVJXPFRRSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331676   
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
Sialidase 3


(Homo sapiens (Human))
BDBM50331676
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-(diethoxyme...)
Show SMILES CCOC(OCC)c1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1 |r,c:17|
Show InChI InChI=1S/C18H28N4O9/c1-4-29-18(30-5-2)10-7-22(21-20-10)8-12(25)15(26)16-14(19-9(3)23)11(24)6-13(31-16)17(27)28/h6-7,11-12,14-16,18,24-26H,4-5,8H2,1-3H3,(H,19,23)(H,27,28)/t11-,12+,14+,15+,16+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 assessed as inhibition of 4-methylumbelliferyl-alpha-D-glucopyranoside hydrolysis by fluorescence assay


Bioorg Med Chem Lett 20: 7529-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.111
BindingDB Entry DOI: 10.7270/Q2K938H5
More data for this
Ligand-Target Pair