Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50232315'   

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 (Homo sapiens (Human))	BDBM50232315 (CHEMBL4072258) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN1CCCC1 Show InChI InChI=1S/C26H34N2O3/c1-30-25-21-22(14-16-26(29)27-23-11-5-4-6-12-23)13-15-24(25)31-20-10-3-2-7-17-28-18-8-9-19-28/h4-6,11-16,21H,2-3,7-10,17-20H2,1H3,(H,27,29)/b16-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method				Eur J Med Chem 126: 810-822 (2017) Article DOI: 10.1016/j.ejmech.2016.12.003 BindingDB Entry DOI: 10.7270/Q2HH6N9M
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