null

SMILES: COc1ccc(NC(=[SH+])[N-]CCOCCN(C)Cc2cccc(c2)[N+]([O-])=O)cc1OC

InChI Key: InChIKey=IIFXEZWTVNGNEY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50032392   

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))	BDBM50032392 (1-(3,4-Dimethoxy-phenyl)-3-(2-{2-[methyl-(3-nitro-...) Show SMILES COc1ccc(NC(=[SH+])[N-]CCOCCN(C)Cc2cccc(c2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C21H28N4O5S/c1-24(15-16-5-4-6-18(13-16)25(26)27)10-12-30-11-9-22-21(31)23-17-7-8-19(28-2)20(14-17)29-3/h4-8,13-14H,9-12,15H2,1-3H3,(H2,22,23,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50032392 (1-(3,4-Dimethoxy-phenyl)-3-(2-{2-[methyl-(3-nitro-...) Show SMILES COc1ccc(NC(=[SH+])[N-]CCOCCN(C)Cc2cccc(c2)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C21H28N4O5S/c1-24(15-16-5-4-6-18(13-16)25(26)27)10-12-30-11-9-22-21(31)23-17-7-8-19(28-2)20(14-17)29-3/h4-8,13-14H,9-12,15H2,1-3H3,(H2,22,23,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche Pierre Fabre Curated by ChEMBL					Assay Description In vitro inhibitory effect on rat Acetylcholinesterase				J Med Chem 38: 2969-73 (1995) BindingDB Entry DOI: 10.7270/Q22B8X2S
					More data for this Ligand-Target Pair