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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM4771'   
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))
BDBM4771
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-ox...)
Show SMILES [#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:18.26,11.12|
Show InChI InChI=1S/C19H33N5O4/c1-3-6-13-7-4-5-8-24(13)17(26)16(22-11(2)25)14-9-12(18(27)28)10-15(14)23-19(20)21/h12-16H,3-10H2,1-2H3,(H,22,25)(H,27,28)(H4,20,21,23)/t12?,13?,14-,15-,16?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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))
BDBM4771
PNG
((3S,4S)-3-carbamimidamido-4-[(1S)-1-acetamido-2-ox...)
Show SMILES [#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:18.26,11.12|
Show InChI InChI=1S/C19H33N5O4/c1-3-6-13-7-4-5-8-24(13)17(26)16(22-11(2)25)14-9-12(18(27)28)10-15(14)23-19(20)21/h12-16H,3-10H2,1-2H3,(H,22,25)(H,27,28)(H4,20,21,23)/t12?,13?,14-,15-,16?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.45E+4n/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