Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50221914'   

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))	BDBM50221914 (2,5-bis{3-[ethyl(2-methoxybenzyl)amino]propylamino...) Show SMILES CCN(CCCNc1cc(O)c(cc1O)N=CCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:15.15| Show InChI InChI=1S/C32H44N4O4/c1-5-35(23-25-13-7-9-15-31(25)39-3)19-11-17-33-27-21-30(38)28(22-29(27)37)34-18-12-20-36(6-2)24-26-14-8-10-16-32(26)40-4/h7-10,13-17,21-22,34,37-38H,5-6,11-12,18-20,23-24H2,1-4H3	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	2.30	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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