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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase-3' and Ligand = 'BDBM50428076'   
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))
BDBM50428076
PNG
(CHEMBL2323563)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1CNCc1ccccc1)C(O)=O |r,c:7|
Show InChI InChI=1S/C16H20N2O5/c1-10(19)18-15-12(20)7-13(16(21)22)23-14(15)9-17-8-11-5-3-2-4-6-11/h2-7,12,14-15,17,20H,8-9H2,1H3,(H,18,19)(H,21,22)/t12-,14-,15+/m0/s1
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Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human neuraminidase 3 expressed in Escherichia coli using 4MU-NANA as substrate measured for every 30 seconds for 60 mins by fluorescen...


J Med Chem 56: 2948-58 (2013)


Article DOI: 10.1021/jm301892f
BindingDB Entry DOI: 10.7270/Q25M672F
More data for this
Ligand-Target Pair