Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50233726'   

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 B virus (B/Lee/40))	BDBM50233726 ((2R,4S,5R)-5-((1R,2S)-1-acetamido-2-ethoxybut-3-en...) Show SMILES CCO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@H](C[C@H]1\C=C/C)C(O)=O Show InChI InChI=1S/C16H26N2O4/c1-5-8-11-9-12(16(20)21)18-14(11)15(17-10(4)19)13(6-2)22-7-3/h5-6,8,11-15,18H,2,7,9H2,1,3-4H3,(H,17,19)(H,20,21)/b8-5-/t11-,12-,13+,14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of influenza B/Memphis/3/89 neuraminidase				Bioorg Med Chem Lett 18: 1692-5 (2008) Article DOI: 10.1016/j.bmcl.2008.01.048 BindingDB Entry DOI: 10.7270/Q2WW7JHN
					More data for this Ligand-Target Pair