BDBM50117615 1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-1-methoxy-3-oxo-propyl]-1-methyl-piperidinium; bromide::CHEMBL314398

SMILES: COC(CC(=O)c1cc2cc(OC)c(OC)cc2s1)C1CC[N+](C)(Cc2ccccc2)CC1

InChI Key: InChIKey=LLFXWTJSKXUPAW-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50117615   

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))	BDBM50117615 (1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...) Show SMILES COC(CC(=O)c1cc2cc(OC)c(OC)cc2s1)C1CC[N+](C)(Cc2ccccc2)CC1 |(11.32,-7.89,;12.1,-6.55,;11.32,-5.22,;9.78,-5.22,;9.01,-6.55,;9.78,-7.89,;7.47,-6.55,;6.55,-5.29,;5.07,-5.78,;3.74,-5.01,;2.42,-5.78,;1.08,-5.01,;-.23,-5.78,;2.42,-7.33,;1.08,-8.1,;-.23,-7.33,;3.75,-8.1,;5.07,-7.33,;6.55,-7.82,;12.1,-3.89,;13.63,-3.98,;14.5,-2.72,;13.82,-1.32,;12.81,-.17,;14.68,-.05,;16.23,-.15,;17.07,1.11,;18.61,1.02,;19.29,-.38,;18.42,-1.64,;16.89,-1.55,;12.28,-1.22,;11.41,-2.51,)| Show InChI InChI=1S/C27H34NO4S/c1-28(18-19-8-6-5-7-9-19)12-10-20(11-13-28)23(30-2)16-22(29)27-15-21-14-24(31-3)25(32-4)17-26(21)33-27/h5-9,14-15,17,20,23H,10-13,16,18H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Concentration required for the inhibition of acetylcholinesterase				Bioorg Med Chem Lett 12: 2569-72 (2002) BindingDB Entry DOI: 10.7270/Q28916C0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117615 (1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl...) Show SMILES COC(CC(=O)c1cc2cc(OC)c(OC)cc2s1)C1CC[N+](C)(Cc2ccccc2)CC1 |(11.32,-7.89,;12.1,-6.55,;11.32,-5.22,;9.78,-5.22,;9.01,-6.55,;9.78,-7.89,;7.47,-6.55,;6.55,-5.29,;5.07,-5.78,;3.74,-5.01,;2.42,-5.78,;1.08,-5.01,;-.23,-5.78,;2.42,-7.33,;1.08,-8.1,;-.23,-7.33,;3.75,-8.1,;5.07,-7.33,;6.55,-7.82,;12.1,-3.89,;13.63,-3.98,;14.5,-2.72,;13.82,-1.32,;12.81,-.17,;14.68,-.05,;16.23,-.15,;17.07,1.11,;18.61,1.02,;19.29,-.38,;18.42,-1.64,;16.89,-1.55,;12.28,-1.22,;11.41,-2.51,)| Show InChI InChI=1S/C27H34NO4S/c1-28(18-19-8-6-5-7-9-19)12-10-20(11-13-28)23(30-2)16-22(29)27-15-21-14-24(31-3)25(32-4)17-26(21)33-27/h5-9,14-15,17,20,23H,10-13,16,18H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.				Bioorg Med Chem Lett 12: 2569-72 (2002) BindingDB Entry DOI: 10.7270/Q28916C0
					More data for this Ligand-Target Pair