BDBM50318727 3-((methyl(7-(3-oxo-2-(3,4,5-trihydroxybenzylidene)-2,3-dihydrobenzofuran-6-yloxy)heptyl)amino)methyl)phenyl methylcarbamate::CHEMBL1085932

SMILES: CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(O)c(O)c(O)c2)c1

InChI Key: InChIKey=VEFMPDZVTZNAQM-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 = 50318727   

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))	BDBM50318727 (3-((methyl(7-(3-oxo-2-(3,4,5-trihydroxybenzylidene...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc3C(=O)C(Oc3c2)=Cc2cc(O)c(O)c(O)c2)c1 |w:31.33| Show InChI InChI=1S/C32H36N2O8/c1-33-32(39)41-24-10-8-9-21(15-24)20-34(2)13-6-4-3-5-7-14-40-23-11-12-25-28(19-23)42-29(30(25)37)18-22-16-26(35)31(38)27(36)17-22/h8-12,15-19,35-36,38H,3-7,13-14,20H2,1-2H3,(H,33,39)	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	0.520	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