BDBM50083319 3-Acetylamino-6-dihydroxymethyl-2-phenethylcarbamoyl-3,4-dihydro-2H-pyran-4-yl-ammonium

SMILES: CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(O[C@H]1C(=O)NCCc1ccccc1)C(O)O

InChI Key: InChIKey=IKLAVZZIBRWGTC-NWANDNLSSA-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 = 50083319   

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 (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50083319 (3-Acetylamino-6-dihydroxymethyl-2-phenethylcarbamo...) Show SMILES CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(O[C@H]1C(=O)NCCc1ccccc1)C(O)O |c:7| Show InChI InChI=1S/C17H23N3O5/c1-10(21)20-14-12(18)9-13(17(23)24)25-15(14)16(22)19-8-7-11-5-3-2-4-6-11/h2-6,9,12,14-15,17,23-24H,7-8,18H2,1H3,(H,19,22)(H,20,21)/p+1/t12-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.57E+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