Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50221932'   

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))	BDBM50221932 (2,5-bis(6-{ethyl[2-(2-methoxyphenyl)ethyl]amino}he...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)CCc1ccccc1OC)CCc1ccccc1OC |w:18.18| Show InChI InChI=1S/C40H60N4O4/c1-5-43(29-23-33-19-11-13-21-39(33)47-3)27-17-9-7-15-25-41-35-31-38(46)36(32-37(35)45)42-26-16-8-10-18-28-44(6-2)30-24-34-20-12-14-22-40(34)48-4/h11-14,19-22,25,31-32,42,45-46H,5-10,15-18,23-24,26-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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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