Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50415465'   

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))	BDBM50415465 (CHEMBL589409) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4| Show InChI InChI=1S/C33H46N6O3S/c1-39-20-10-12-25(24-39)31-33(38-43-37-31)42-23-11-22-41-21-9-6-17-30(40)34-18-7-8-19-35-32-26-13-2-4-15-28(26)36-29-16-5-3-14-27(29)32/h2,4,12-13,15H,3,5-11,14,16-24H2,1H3,(H,34,40)(H,35,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.71	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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