BDBM50083329 CHEMBL147080::[(2R,3R,4S)-3-Acetylamino-6-dihydroxymethyl-2-((R)-1,2,3-trihydroxy-propyl)-3,4-dihydro-2H-pyran-4-yl]-trimethyl-ammonium

SMILES: CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1[N+](C)(C)C)C(O)O)C(O)[C@H](O)CO

InChI Key: InChIKey=QDYQEUOIDZYTQR-UYOJVJPESA-O

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 = 50083329   

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(...)	BDBM50083329 (CHEMBL147080 | [(2R,3R,4S)-3-Acetylamino-6-dihydro...) Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1[N+](C)(C)C)C(O)O)C(O)[C@H](O)CO |c:7| Show InChI InChI=1S/C14H26N2O7/c1-7(18)15-11-8(16(2,3)4)5-10(14(21)22)23-13(11)12(20)9(19)6-17/h5,8-9,11-14,17,19-22H,6H2,1-4H3/p+1/t8-,9+,11+,12?,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	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