BDBM50293816 CHEMBL564257

SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCC1=CN(CCOCCOCCOCCNC(=O)COC2=CC=C(C=C2)C2=C3C=CC(=N3)/C(=C3NC(/C=C3)=C(C3=NC(C=C3)=C(/C3=CC=C2N3)C2=CC=C(OCC(=O)NCCOCCOCCOCCN3C=C(CNC(=O)O[C@H]([C@H](O)CO)[C@]4([H])OC(=C[C@H](NC(N)=N)[C@H]4NC(C)=O)C(O)=O)N=N3)C=C2)C2=CC=C(OCC(=O)NCCOCCOCCOCCN3C=C(CNC(=O)O[C@H]([C@H](O)CO)[C@]4([H])OC(=C[C@H](NC(N)=N)[C@H]4NC(C)=O)C(O)=O)N=N3)C=C2)C2=CC=C(OCC(=O)NCCOCCOCCOCCN3C=C(CNC(=O)O[C@H]([C@H](O)CO)[C@]4([H])OC(=C[C@H](NC(N)=N)[C@H]4NC(C)=O)C(O)=O)N=N3)C=C2)N=N1)[C@H](O)CO

InChI Key InChIKey=GUBIJZJUZAFBTF-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50293816   

TargetNeuraminidase(Influenza A virus)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50293816(CHEMBL564257)
Affinity DataIC50: 8.5nMT: 2°CAssay Description:Inhibition of influenza A virus A/WSN/1933 H1N1 neuraminidase using NA-STAR substrate after 15 mins incubation at room temperature by fluorescent ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed