Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50232312'   

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))	BDBM50232312 (CHEMBL4069385) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCN1CCCCC1 Show InChI InChI=1S/C25H32N2O3/c1-29-24-20-21(13-15-25(28)26-22-10-4-2-5-11-22)12-14-23(24)30-19-9-8-18-27-16-6-3-7-17-27/h2,4-5,10-15,20H,3,6-9,16-19H2,1H3,(H,26,28)/b15-13+	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	7.14E+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
					More data for this Ligand-Target Pair