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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50320763'   
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)
BDBM50320763
PNG
(5-Acetamido-2,6-anhydro-4-(4-carboxybutyl)amino-3,...)
Show SMILES CC(=O)N[C@@H]1[C@@H](NCCCCC(O)=O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:14|
Show InChI InChI=1S/C16H26N2O9/c1-8(20)18-13-9(17-5-3-2-4-12(22)23)6-11(16(25)26)27-15(13)14(24)10(21)7-19/h6,9-10,13-15,17,19,21,24H,2-5,7H2,1H3,(H,18,20)(H,22,23)(H,25,26)/t9-,10+,13+,14+,15+/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+4n/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