BDBM50117593 1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydroxy-methyl]-pyridinium::CHEMBL87955

SMILES: COc1cc2CC(C(O)c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC

InChI Key: InChIKey=SQTQNYMNESABEP-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50117593   

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))	BDBM50117593 (1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydro...) Show SMILES COc1cc2CC(C(O)c3cc[n+](Cc4ccccc4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C24H24NO4/c1-28-21-13-18-12-20(24(27)19(18)14-22(21)29-2)23(26)17-8-10-25(11-9-17)15-16-6-4-3-5-7-16/h3-11,13-14,20,23,26H,12,15H2,1-2H3/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	1.88E+3	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.				Bioorg Med Chem Lett 12: 2565-8 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37Q4
					More data for this Ligand-Target Pair