Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50396130'   

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))	BDBM50396130 (CHEMBL2171318) Show SMILES COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1OCCCO[N+]([O-])=O Show InChI InChI=1S/C30H36N4O6/c1-38-28-21-22(13-15-27(28)39-19-8-20-40-34(36)37)14-16-29(35)31-17-6-7-18-32-30-23-9-2-4-11-25(23)33-26-12-5-3-10-24(26)30/h2,4,9,11,13-16,21H,3,5-8,10,12,17-20H2,1H3,(H,31,35)(H,32,33)/b16-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44.3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method				J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7
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