Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50068306'   

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))	BDBM50068306 (CHEMBL3402304) Show SMILES C(CCNC1CCN(Cc2ccccc2)CC1)CCn1ccc2ccccc12 Show InChI InChI=1S/C25H33N3/c1-3-9-22(10-4-1)21-27-18-14-24(15-19-27)26-16-7-2-8-17-28-20-13-23-11-5-6-12-25(23)28/h1,3-6,9-13,20,24,26H,2,7-8,14-19,21H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins by Ellman method				Bioorg Med Chem 23: 2445-57 (2015) Article DOI: 10.1016/j.bmc.2015.03.051 BindingDB Entry DOI: 10.7270/Q2CZ38VB
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