BDBM50154778 1-tert-Butoxycarbonylmethyl-4-(5,6-dimethoxy-benzo[b]thiophene-2-carbonyl)-1-methyl-azepanium::CHEMBL364585

SMILES: COc1cc2cc(sc2cc1OC)C(=O)C1CCC[N+](C)(CC(=O)OC(C)(C)C)CC1

InChI Key: InChIKey=MWKUYSVHHMBCJK-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 = 50154778   

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))	BDBM50154778 (1-tert-Butoxycarbonylmethyl-4-(5,6-dimethoxy-benzo...) Show SMILES COc1cc2cc(sc2cc1OC)C(=O)C1CCC[N+](C)(CC(=O)OC(C)(C)C)CC1 Show InChI InChI=1S/C24H34NO5S/c1-24(2,3)30-22(26)15-25(4)10-7-8-16(9-11-25)23(27)21-13-17-12-18(28-5)19(29-6)14-20(17)31-21/h12-14,16H,7-11,15H2,1-6H3/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	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay				J Med Chem 47: 5492-500 (2004) Article DOI: 10.1021/jm049695v BindingDB Entry DOI: 10.7270/Q2765G3W
					More data for this Ligand-Target Pair