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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50483016'   
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)
BDBM50483016
PNG
(ERYTHRADDISON B)
Show SMILES COc1ccc(\C(C=O)=C/c2ccc(O)cc2OC)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-14-5-6-15(16(20)9-14)12(10-18)7-11-3-4-13(19)8-17(11)22-2/h3-10,19-20H,1-2H3/b12-7-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.26E+4n/an/an/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate sub...


Bioorg Med Chem Lett 20: 6430-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.077
BindingDB Entry DOI: 10.7270/Q2HQ42Q8
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50483016
PNG
(ERYTHRADDISON B)
Show SMILES COc1ccc(\C(C=O)=C/c2ccc(O)cc2OC)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-14-5-6-15(16(20)9-14)12(10-18)7-11-3-4-13(19)8-17(11)22-2/h3-10,19-20H,1-2H3/b12-7-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.39E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus H9N2 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate substrate


Bioorg Med Chem Lett 20: 6430-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.077
BindingDB Entry DOI: 10.7270/Q2HQ42Q8
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus)
BDBM50483016
PNG
(ERYTHRADDISON B)
Show SMILES COc1ccc(\C(C=O)=C/c2ccc(O)cc2OC)c(O)c1
Show InChI InChI=1S/C17H16O5/c1-21-14-5-6-15(16(20)9-14)12(10-18)7-11-3-4-13(19)8-17(11)22-2/h3-10,19-20H,1-2H3/b12-7-
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.93E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus H1N1 Neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate substrate


Bioorg Med Chem Lett 20: 6430-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.077
BindingDB Entry DOI: 10.7270/Q2HQ42Q8
More data for this
Ligand-Target Pair