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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 298.3
BDBM5245

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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 (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5245
PNG
((5R,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...)
Show SMILES CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



Gilead Sciences Inc.



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


Bioorg Med Chem Lett 9: 1751-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00280-2
BindingDB Entry DOI: 10.7270/Q2ZS2TNF
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza B virus (B/Lee/40))
BDBM5245
PNG
((5R,6S)-5-amino-6-acetamido-1-(2-ethylbutanoyl)-1,...)
Show SMILES CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
Show InChI InChI=1S/C13H22N4O4/c1-4-8(5-2)12(19)17-11(15-7(3)18)9(14)6-10(16-17)13(20)21/h8-9,11H,4-6,14H2,1-3H3,(H,15,18)(H,20,21)/t9-,11+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Gilead Sciences Inc.



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


Bioorg Med Chem Lett 9: 1751-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00280-2
BindingDB Entry DOI: 10.7270/Q2ZS2TNF
More data for this
Ligand-Target Pair