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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sialidase 3' and Ligand = 'BDBM50331689'   
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))
BDBM50331689
PNG
((2R,3R,4S)-4-hydroxy-3-(2-(4-(2-hydroxyethyl)-1H-1...)
Show SMILES OCCc1cn(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/c20-2-1-7-4-19(18-17-7)5-11(24)16-12-8(22)3-10(15(26)27)28-14(12)13(25)9(23)6-21/h3-4,8-9,12-14,20-23,25H,1-2,5-6H2,(H,16,24)(H,26,27)/t8-,9+,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