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BDBM50331674 (2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-hexyl-1H-1,2,3-triazol-1-yl)-1,2-dihydroxypropyl)-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylate::CHEMBL1289429

SMILES: CCCCCCc1cn(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=NTAOCKXIDZRYQV-QBBQCFRVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331674   
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))
BDBM50331674
PNG
((2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-hexyl-1H-1,...)
Show SMILES CCCCCCc1cn(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:16|
Show InChI InChI=1S/C19H30N4O7/c1-3-4-5-6-7-12-9-23(22-21-12)10-14(26)17(27)18-16(20-11(2)24)13(25)8-15(30-18)19(28)29/h8-9,13-14,16-18,25-27H,3-7,10H2,1-2H3,(H,20,24)(H,28,29)/t13-,14+,16+,17+,18+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/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