Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50199165'   

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))	BDBM50199165 (CHEMBL3937312) Show SMILES CN(C)Cc1ccc(CSCCNS(=O)(=O)c2ccc(C)cc2)o1 Show InChI InChI=1S/C17H24N2O3S2/c1-14-4-8-17(9-5-14)24(20,21)18-10-11-23-13-16-7-6-15(22-16)12-19(2)3/h4-9,18H,10-13H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine as substrate preincubated for 8 mins followed by substrate addition by Ellman's method				Bioorg Med Chem Lett 26: 5573-5579 (2016) Article DOI: 10.1016/j.bmcl.2016.09.072 BindingDB Entry DOI: 10.7270/Q22F7QDF
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