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BDBM50331691 (2R,3R,4S)-4-hydroxy-3-(2-(4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl)acetamido)-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate::CHEMBL1290408

SMILES: CC(C)(O)c1cn(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

InChI Key: InChIKey=VTGIGZCPPXSYPL-YOLTXAATSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331691   
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))
BDBM50331691
PNG
((2R,3R,4S)-4-hydroxy-3-(2-(4-(2-hydroxypropan-2-yl...)
Show SMILES CC(C)(O)c1cn(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:14|
Show InChI InChI=1S/C16H24N4O9/c1-16(2,28)10-4-20(19-18-10)5-11(24)17-12-7(22)3-9(15(26)27)29-14(12)13(25)8(23)6-21/h3-4,7-8,12-14,21-23,25,28H,5-6H2,1-2H3,(H,17,24)(H,26,27)/t7-,8+,12+,13+,14+/m0/s1
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Similars

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