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BDBM50497230 CHEMBL3290242

SMILES: CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1

InChI Key: InChIKey=HLRHJZJMKXFFTI-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50497230   
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
Neuraminidase


(Influenza A virus)
BDBM50497230
PNG
(CHEMBL3290242)
Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1 |t:7|
Show InChI InChI=1S/C15H17N3O4/c1-3-22-14(21)11-12(10-7-5-4-6-8-10)17-15(16-9(2)19)18-13(11)20/h4-8,11-12H,3H2,1-2H3,(H2,16,17,18,19,20)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.75E+4n/an/an/an/an/an/a



Wuhan University School of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...


Eur J Med Chem 83: 466-73 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.059
BindingDB Entry DOI: 10.7270/Q2251N6W
More data for this
Ligand-Target Pair