Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 279.2 BDBM50497219

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

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Neuraminidase (Influenza A virus)	BDBM50497219 (CHEMBL3290239) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1F |t:7| Show InChI InChI=1S/C13H14FN3O3/c1-2-20-12(19)9-10(16-13(15)17-11(9)18)7-5-3-4-6-8(7)14/h3-6,9-10H,2H2,1H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
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