BDBM50083322 3-Acetylamino-2-diethylcarbamoyl-6-dihydroxymethyl-3,4-dihydro-2H-pyran-4-yl-ammonium

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

InChI Key: InChIKey=CHIXWEQVFWGQTK-JMJZKYOTSA-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 = 50083322   

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(...)	BDBM50083322 (3-Acetylamino-2-diethylcarbamoyl-6-dihydroxymethyl...) Show SMILES CCN(CC)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:9| Show InChI InChI=1S/C13H23N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11,13,19-20H,4-5,14H2,1-3H3,(H,15,17)/p+1/t8-,10+,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.390	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