Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50456921'   

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))	BDBM50456921 (CHEMBL4215324) Show SMILES CN(Cc1ccccc1)Cc1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C24H24N2O/c1-26(18-21-10-6-3-7-11-21)19-22-12-15-23(16-13-22)25-24(27)17-14-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3,(H,25,27)/b17-14+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 180...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
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