Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50415466'   

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))	BDBM50415466 (CHEMBL589419) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCCC(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |c:4| Show InChI InChI=1S/C31H42N6O3S/c1-37-18-8-10-23(22-37)29-31(36-41-35-29)40-20-9-19-39-21-15-28(38)32-16-6-7-17-33-30-24-11-2-4-13-26(24)34-27-14-5-3-12-25(27)30/h2,4,10-11,13H,3,5-9,12,14-22H2,1H3,(H,32,38)(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.7	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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