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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 254.2
BDBM50483709
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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)
BDBM50483709
PNG
(CHEMBL1767340)
Show SMILES OC(=O)[C@@H]1CSC(N1)c1ccccc1[N+]([O-])=O |r|
Show InChI InChI=1S/C10H10N2O4S/c13-10(14)7-5-17-9(11-7)6-3-1-2-4-8(6)12(15)16/h1-4,7,9,11H,5H2,(H,13,14)/t7-,9?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.25E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus neuraminidase assessed as cleavage of MUNANA substrate by fluorescence assay


Bioorg Med Chem 19: 2342-8 (2011)


Article DOI: 10.1016/j.bmc.2011.02.019
BindingDB Entry DOI: 10.7270/Q2TQ64DM
More data for this
Ligand-Target Pair