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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase 3' and Ligand = 'BDBM50331685'   
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
Sialidase 3


(Homo sapiens (Human))
BDBM50331685
PNG
((2R,3R,4S)-3-(2-(4-ethoxy-1H-1,2,3-triazol-1-yl)ac...)
Show SMILES CCOc1cn(CC(=O)N[C@@H]2[C@@H](O)C=C(O[C@H]2[C@H](O)[C@H](O)CO)C(O)=O)nn1 |r,c:13|
Show InChI InChI=1S/C15H22N4O9/c1-2-27-11-5-19(18-17-11)4-10(23)16-12-7(21)3-9(15(25)26)28-14(12)13(24)8(22)6-20/h3,5,7-8,12-14,20-22,24H,2,4,6H2,1H3,(H,16,23)(H,25,26)/t7-,8+,12+,13+,14+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+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