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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50320766'   
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)
BDBM50320766
PNG
(5-Acetamido-2,6-anhydro-4-(3-aminopropyl)amino-3,4...)
Show SMILES CC(=O)N[C@@H]1[C@@H](NCCCN)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:11|
Show InChI InChI=1S/C14H25N3O7/c1-7(19)17-11-8(16-4-2-3-15)5-10(14(22)23)24-13(11)12(21)9(20)6-18/h5,8-9,11-13,16,18,20-21H,2-4,6,15H2,1H3,(H,17,19)(H,22,23)/t8-,9+,11+,12+,13+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase


Bioorg Med Chem 18: 4074-84 (2010)


Article DOI: 10.1016/j.bmc.2010.04.010
BindingDB Entry DOI: 10.7270/Q2WD41KC
More data for this
Ligand-Target Pair