BDBM50083326 3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-dihydro-2H-pyran-2-carboxylic acid diethylamide::CHEMBL344548

SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-[#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=XMBMCUACUOKRPD-JMJZKYOTSA-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 = 50083326   

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(...)	BDBM50083326 (3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-[#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:9| Show InChI InChI=1S/C14H25N5O5/c1-4-19(5-2)12(21)11-10(17-7(3)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11,13,22-23H,4-5H2,1-3H3,(H,17,20)(H4,15,16,18)/t8-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	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