Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50218516'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50218516 (6,7-dimethoxy-3-(4-{[(2-methylbenzyl)methylamino]m...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C27H27NO4/c1-18-7-5-6-8-21(18)17-28(2)16-19-9-11-20(12-10-19)23-13-22-14-25(30-3)26(31-4)15-24(22)32-27(23)29/h5-15H,16-17H2,1-4H3	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	366	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE				J Med Chem 50: 4250-4 (2007) Article DOI: 10.1021/jm070100g BindingDB Entry DOI: 10.7270/Q2QC036V
					More data for this Ligand-Target Pair