Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50221921'   

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))	BDBM50221921 (2,5-bis{4-[ethyl(2-methoxybenzyl)amino]butylamino}...) Show SMILES CCN(CCCCNc1cc(O)c(cc1O)N=CCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:16.16| Show InChI InChI=1S/C34H48N4O4/c1-5-37(25-27-15-7-9-17-33(27)41-3)21-13-11-19-35-29-23-32(40)30(24-31(29)39)36-20-12-14-22-38(6-2)26-28-16-8-10-18-34(28)42-4/h7-10,15-19,23-24,36,39-40H,5-6,11-14,20-22,25-26H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
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