Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50415462'   

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))	BDBM50415462 (CHEMBL589384) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4| Show InChI InChI=1S/C36H52N6O3S/c1-42-23-12-15-28(27-42)34-36(41-46-40-34)45-26-14-25-44-24-13-20-33(43)37-21-10-4-2-3-5-11-22-38-35-29-16-6-8-18-31(29)39-32-19-9-7-17-30(32)35/h6,8,15-16,18H,2-5,7,9-14,17,19-27H2,1H3,(H,37,43)(H,38,39)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.46	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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