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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50478626'   
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)
BDBM50478626
PNG
(CHEMBL55440)
Show SMILES CC(=O)Nc1ccc(cc1NC(N)=N)C(O)=O
Show InChI InChI=1S/C10H12N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/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
Neuraminidase


(Influenza A virus)
BDBM50478626
PNG
(CHEMBL55440)
Show SMILES CC(=O)Nc1ccc(cc1NC(N)=N)C(O)=O
Show InChI InChI=1S/C10H12N4O3/c1-5(15)13-7-3-2-6(9(16)17)4-8(7)14-10(11)12/h2-4H,1H3,(H,13,15)(H,16,17)(H4,11,12,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+9n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of influenza virus neuraminidase


Eur J Med Chem 43: 569-76 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.011
BindingDB Entry DOI: 10.7270/Q2C53PNP
More data for this
Ligand-Target Pair