Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50528727'   

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))	BDBM50528727 (CHEMBL4437417) Show SMILES Nc1ccc2oc(nc2c1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C17H18N4O/c18-13-6-7-16-15(12-13)19-17(22-16)21-10-8-20(9-11-21)14-4-2-1-3-5-14/h1-7,12H,8-11,18H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (Banaras Hindu University) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 30 mins followed by substrate addition and m...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111613 BindingDB Entry DOI: 10.7270/Q2GQ726C
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