BDBM50012004 (2-Biphenyl-4-yl-2-oxo-ethyl)-[1,3]dioxan-2-ylmethyl-dimethyl-ammonium::CHEMBL44034

SMILES: C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=GXIMPLWXZHVDIN-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 = 50012004   

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))	BDBM50012004 ((2-Biphenyl-4-yl-2-oxo-ethyl)-[1,3]dioxan-2-ylmeth...) Show SMILES C[N+](C)(CC1OCCCO1)CC(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C21H26NO3/c1-22(2,16-21-24-13-6-14-25-21)15-20(23)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h3-5,7-12,21H,6,13-16H2,1-2H3/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	2.01E+4	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