Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50140560'   

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))	BDBM50140560 (CHEMBL3753043) Show SMILES O=c1cc(oc2cc(OCCCCCCCCN3CCCC3)ccc12)-c1ccccc1 Show InChI InChI=1S/C27H33NO3/c29-25-21-26(22-12-6-5-7-13-22)31-27-20-23(14-15-24(25)27)30-19-11-4-2-1-3-8-16-28-17-9-10-18-28/h5-7,12-15,20-21H,1-4,8-11,16-19H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Henan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using ATC as substrate preincubated for 15 mins followed by substrate addition measured at 1 min intervals by Ellman ...				Bioorg Med Chem 24: 672-80 (2016) Article DOI: 10.1016/j.bmc.2015.12.031 BindingDB Entry DOI: 10.7270/Q2ZP4801
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