BDBM50117620 4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-propyl]-1-(2-methoxy-ethyl)-pyridinium::CHEMBL87937

SMILES: COCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1

InChI Key: InChIKey=JWNJPWFLZOKDSC-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 = 50117620   

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))	BDBM50117620 (4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...) Show SMILES COCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 Show InChI InChI=1S/C21H24NO4S/c1-24-11-10-22-8-6-15(7-9-22)4-5-17(23)21-13-16-12-18(25-2)19(26-3)14-20(16)27-21/h6-9,12-14H,4-5,10-11H2,1-3H3/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	290	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50117620 (4-[3-(5,6-Dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-p...) Show SMILES COCC[n+]1ccc(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)cc1 Show InChI InChI=1S/C21H24NO4S/c1-24-11-10-22-8-6-15(7-9-22)4-5-17(23)21-13-16-12-18(25-2)19(26-3)14-20(16)27-21/h6-9,12-14H,4-5,10-11H2,1-3H3/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	30	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