Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50221929'   

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))	BDBM50221929 (2,5-bis{7-[ethyl(2-methoxybenzyl)amino]heptylamino...) Show SMILES CCN(CCCCCCCNc1cc(O)c(cc1O)N=CCCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:19.19| Show InChI InChI=1S/C40H60N4O4/c1-5-43(31-33-21-13-15-23-39(33)47-3)27-19-11-7-9-17-25-41-35-29-38(46)36(30-37(35)45)42-26-18-10-8-12-20-28-44(6-2)32-34-22-14-16-24-40(34)48-4/h13-16,21-25,29-30,42,45-46H,5-12,17-20,26-28,31-32H2,1-4H3	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	7.80	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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