BDBM50293817 CHEMBL556810

SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCc1cn(CCOCCOCCOCCOCCNC(=O)COc2ccc(cc2)-c2c3ccc(n3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@]5([H])OC(=C[C@H](NC(N)=N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc([nH]3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@]5([H])OC(=C[C@H](NC(N)=N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc(n3)c(-c3ccc(OCC(=O)NCCOCCOCCOCCOCCn4cc(CNC(=O)O[C@H]([C@H](O)CO)[C@]5([H])OC(=C[C@H](NC(N)=N)[C@H]5NC(C)=O)C(O)=O)nn4)cc3)c3ccc2[nH]3)nn1)[C@@H](O)CO

InChI Key InChIKey=OHQSOYWBSNIREF-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50293817   

TargetNeuraminidase(Influenza A virus)
National Taiwan University

Curated by ChEMBL
LigandPNGBDBM50293817(CHEMBL556810)
Affinity DataIC50: 3.70nMT: 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