BDBM50083331 3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-dihydro-2H-pyran-2-carboxylic acid methylamide::CHEMBL357722

SMILES: [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8]

InChI Key: InChIKey=PCSYBTBAKASCBQ-UIISKDMLSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50083331   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083331 (3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...) Show SMILES [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:6| Show InChI InChI=1S/C11H19N5O5/c1-4(17)15-7-5(16-11(12)13)3-6(10(19)20)21-8(7)9(18)14-2/h3,5,7-8,10,19-20H,1-2H3,(H,14,18)(H,15,17)(H4,12,13,16)/t5-,7+,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Neuraminidase binding affinity in Influenza A				J Med Chem 42: 5142-52 (2000) BindingDB Entry DOI: 10.7270/Q27M08NT
					More data for this Ligand-Target Pair