BDBM50055188 (5-Acetoxy-2-methyl-phenyl)-trimethyl-ammonium::CHEMBL338492

SMILES: CC(=O)Oc1ccc(C)c(c1)[N+](C)(C)C

InChI Key: InChIKey=CKKVAQWWMPPXLE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50055188   

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))	BDBM50055188 ((5-Acetoxy-2-methyl-phenyl)-trimethyl-ammonium | C...) Show SMILES CC(=O)Oc1ccc(C)c(c1)[N+](C)(C)C Show InChI InChI=1S/C12H18NO2/c1-9-6-7-11(15-10(2)14)8-12(9)13(3,4)5/h6-8H,1-5H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition acetylcholinesterase (AChE) enzyme.				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50055188 ((5-Acetoxy-2-methyl-phenyl)-trimethyl-ammonium | C...) Show SMILES CC(=O)Oc1ccc(C)c(c1)[N+](C)(C)C Show InChI InChI=1S/C12H18NO2/c1-9-6-7-11(15-10(2)14)8-12(9)13(3,4)5/h6-8H,1-5H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase				J Med Chem 39: 5064-71 (1997) Article DOI: 10.1021/jm950771r BindingDB Entry DOI: 10.7270/Q2PZ59GC
					More data for this Ligand-Target Pair