BDBM50108397 Benzyl-{3-[3-(3,4-dimethoxy-phenyl)-3-oxo-propyl]-phenyl}-dimethyl-ammonium; bromide::CHEMBL59074

SMILES: COc1ccc(cc1OC)C(=O)CCc1cccc(c1)[N+](C)(C)Cc1ccccc1

InChI Key: InChIKey=BEAHCIYYNAZUDK-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 = 50108397   

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 (Homo sapiens (Human))	BDBM50108397 (Benzyl-{3-[3-(3,4-dimethoxy-phenyl)-3-oxo-propyl]-...) Show SMILES COc1ccc(cc1OC)C(=O)CCc1cccc(c1)[N+](C)(C)Cc1ccccc1 Show InChI InChI=1S/C26H30NO3/c1-27(2,19-21-9-6-5-7-10-21)23-12-8-11-20(17-23)13-15-24(28)22-14-16-25(29-3)26(18-22)30-4/h5-12,14,16-18H,13,15,19H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant AChE				Bioorg Med Chem Lett 12: 193-6 (2001) BindingDB Entry DOI: 10.7270/Q2CR5SP0
					More data for this Ligand-Target Pair