Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50149957'   

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))	BDBM50149957 (CHEMBL3769730) Show SMILES CCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 |r| Show InChI InChI=1S/C26H26BrN5O7S2/c27-19-9-10-23(29-16-19)31-24(33)15-21(26(35)32-11-13-40(36,37)14-12-32)30-25(34)18-7-5-17(6-8-18)20-3-1-2-4-22(20)41(28,38)39/h1-10,16,21H,11-15H2,(H,30,34)(H2,28,38,39)(H,29,31,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.06E+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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