BDBM50083327 3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-dihydro-2H-pyran-2-carboxylic acid phenethyl-propyl-amide::CHEMBL147283

SMILES: [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#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=WPXLGLWNXHFMTE-CGTJXYLNSA-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 = 50083327   

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(...)	BDBM50083327 (3-Acetylamino-6-dihydroxymethyl-4-guanidino-3,4-di...) Show SMILES [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#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:17| Show InChI InChI=1S/C21H31N5O5/c1-3-10-26(11-9-14-7-5-4-6-8-14)19(28)18-17(24-13(2)27)15(25-21(22)23)12-16(31-18)20(29)30/h4-8,12,15,17-18,20,29-30H,3,9-11H2,1-2H3,(H,24,27)(H4,22,23,25)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.650	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