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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50497282'   
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)
BDBM50497282
PNG
(CHEMBL3330848)
Show SMILES [Na;v0+].[H][C@]1([#8]-[#6](=[#6]-[#6@H](-[#7]=[N+]=[#7-])-[#6@H]1-[#7]-[#6](=O)-[#6](-[#6])-[#8])-[#6](-[#8-])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
Show InChI InChI=1S/C12H18N4O8.Na/c1-4(18)11(21)14-8-5(15-16-13)2-7(12(22)23)24-10(8)9(20)6(19)3-17;/h2,4-6,8-10,17-20H,3H2,1H3,(H,14,21)(H,22,23);/q;+1/p-1/t4?,5-,6+,8+,9+,10+;/m0./s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.81E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of neuraminidase activity of human parainfluenza virus 1 C35 hemagglutinin-neuraminidase pre-incubated for 20 mins before MUN substrate by...


J Med Chem 57: 7613-23 (2014)


Article DOI: 10.1021/jm500759v
BindingDB Entry DOI: 10.7270/Q2DB84VP
More data for this
Ligand-Target Pair