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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 251.2
BDBM50478789
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Neuraminidase


(Influenza A virus)
BDBM50478789
PNG
(CHEMBL489264)
Show SMILES CCCOc1cc(NC(C)=O)ccc1C(=O)OC
Show InChI InChI=1S/C13H17NO4/c1-4-7-18-12-8-10(14-9(2)15)5-6-11(12)13(16)17-3/h5-6,8H,4,7H2,1-3H3,(H,14,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.26E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus neuraminidase


Bioorg Med Chem 16: 3839-47 (2008)


Article DOI: 10.1016/j.bmc.2008.01.036
BindingDB Entry DOI: 10.7270/Q2NG4TFM
More data for this
Ligand-Target Pair