Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50333768'   

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))	BDBM50333768 (CHEMBL1644287 | N1-((7-Methoxybenzo[d][1,3]dioxol-...) Show SMILES COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12 Show InChI InChI=1S/C31H41N3O3/c1-35-28-19-23(20-29-31(28)37-22-36-29)21-32-17-11-5-3-2-4-6-12-18-33-30-24-13-7-9-15-26(24)34-27-16-10-8-14-25(27)30/h7,9,13,15,19-20,32H,2-6,8,10-12,14,16-18,21-22H2,1H3,(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 19: 763-70 (2011) Article DOI: 10.1016/j.bmc.2010.12.022 BindingDB Entry DOI: 10.7270/Q2T43TB0
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