BDBM50011998 CHEMBL298102::[1,3]Dioxan-2-ylmethyl-dimethyl-(2-oxo-2-phenyl-ethyl)-ammonium

SMILES: C[N+](C)(CC1OCCCO1)CC(=O)c1ccccc1

InChI Key: InChIKey=FBNQCUXIVOFMAG-UHFFFAOYSA-N

Data: 1 IC50

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 = 50011998   

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
Acetylcholinesterase (Bos taurus (bovine))	BDBM50011998 (CHEMBL298102 | [1,3]Dioxan-2-ylmethyl-dimethyl-(2-...) Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccccc1 Show InChI InChI=1S/C15H22NO3/c1-16(2,12-15-18-9-6-10-19-15)11-14(17)13-7-4-3-5-8-13/h3-5,7-8,15H,6,9-12H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Iowa Curated by ChEMBL					Assay Description Concentration required to inhibit hydrolytic activity of bovine erythrocyte acetylcholinesterase by 50%				J Med Chem 34: 1582-4 (1991) BindingDB Entry DOI: 10.7270/Q26D5TK2
					More data for this Ligand-Target Pair