Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50415468'   

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 (Electrophorus electricus (Electric eel))	BDBM50415468 (CHEMBL590059) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCNc1c2CCCCc2nc2ccccc12 |c:4| Show InChI InChI=1S/C32H44N6O3S/c1-38-19-8-11-24(23-38)30-32(37-42-36-30)41-22-10-21-40-20-7-6-16-29(39)33-17-9-18-34-31-25-12-2-4-14-27(25)35-28-15-5-3-13-26(28)31/h2,4,11-12,14H,3,5-10,13,15-23H2,1H3,(H,33,39)(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Med Chem 53: 2094-103 (2010) Article DOI: 10.1021/jm901616h BindingDB Entry DOI: 10.7270/Q2KW5H8J
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