Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50149959'   

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))	BDBM50149959 (CHEMBL3769959) Show SMILES CCCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C27H28BrN5O5S/c28-20-12-13-24(30-17-20)32-25(34)16-22(27(36)33-14-4-1-5-15-33)31-26(35)19-10-8-18(9-11-19)21-6-2-3-7-23(21)39(29,37)38/h2-3,6-13,17,22H,1,4-5,14-16H2,(H,31,35)(H2,29,37,38)(H,30,32,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pardubice Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by spectrophotometric-based Ellman's method				Bioorg Med Chem 24: 1560-72 (2016) Article DOI: 10.1016/j.bmc.2016.02.033 BindingDB Entry DOI: 10.7270/Q2XW4MPW
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