Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 354.4 BDBM4990

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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4990 ((3R,4R,5S)-4-Acetamido-5-amino-3-(decyloxy)-1-cycl...) Show SMILES CCCCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12| Show InChI InChI=1S/C19H34N2O4/c1-3-4-5-6-7-8-9-10-11-25-17-13-15(19(23)24)12-16(20)18(17)21-14(2)22/h13,16-18H,3-12,20H2,1-2H3,(H,21,22)(H,23,24)/t16-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	6.5	37
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...				J Med Chem 41: 2451-60 (1998) Article DOI: 10.1021/jm980162u BindingDB Entry DOI: 10.7270/Q2MP51GP
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