BDBM50083321 3-Acetylamino-6-dihydroxymethyl-2-ethylcarbamoyl-3,4-dihydro-2H-pyran-4-yl-ammonium

SMILES: CCNC(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O

InChI Key: InChIKey=ALOJVGUWCBVTJT-NBEYISGCSA-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 = 50083321   

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(...)	BDBM50083321 (3-Acetylamino-6-dihydroxymethyl-2-ethylcarbamoyl-3...) Show SMILES CCNC(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:7| Show InChI InChI=1S/C11H19N3O5/c1-3-13-10(16)9-8(14-5(2)15)6(12)4-7(19-9)11(17)18/h4,6,8-9,11,17-18H,3,12H2,1-2H3,(H,13,16)(H,14,15)/p+1/t6-,8+,9+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.69E+3	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