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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM4765'   
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 (N9))
BDBM4765
PNG
((3S,4S)-3-[(1S)-2-(azetidin-1-yl)-1-acetamido-2-ox...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
Show InChI InChI=1S/C14H23N5O4/c1-7(20)17-11(12(21)19-3-2-4-19)9-5-8(13(22)23)6-10(9)18-14(15)16/h8-11H,2-6H2,1H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8?,9-,10-,11?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 920n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


J Med Chem 47: 1919-29 (2004)


Article DOI: 10.1021/jm0303406
BindingDB Entry DOI: 10.7270/Q2NP22NH
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM4765
PNG
((3S,4S)-3-[(1S)-2-(azetidin-1-yl)-1-acetamido-2-ox...)
Show SMILES [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
Show InChI InChI=1S/C14H23N5O4/c1-7(20)17-11(12(21)19-3-2-4-19)9-5-8(13(22)23)6-10(9)18-14(15)16/h8-11H,2-6H2,1H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8?,9-,10-,11?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.



Assay Description
A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...


J Med Chem 47: 1919-29 (2004)


Article DOI: 10.1021/jm0303406
BindingDB Entry DOI: 10.7270/Q2NP22NH
More data for this
Ligand-Target Pair