Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50415464'   

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))	BDBM50415464 (CHEMBL589405) Show SMILES CN1CCC=C(C1)c1nsnc1OCCCOCC(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |c:4| Show InChI InChI=1S/C34H48N6O3S/c1-40-21-12-14-26(24-40)32-34(39-44-38-32)43-23-13-22-42-25-31(41)35-19-10-4-2-3-5-11-20-36-33-27-15-6-8-17-29(27)37-30-18-9-7-16-28(30)33/h6,8,14-15,17H,2-5,7,9-13,16,18-25H2,1H3,(H,35,41)(H,36,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.61	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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