Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50336475'   

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))	BDBM50336475 ((S)-ethyl 5-methyl-2-(3-(4-methylpiperidin-1-yl)pr...) Show SMILES CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2CC[C@H](C)Cc12 |r| Show InChI InChI=1S/C21H32N2O3S/c1-4-26-21(25)19-16-13-15(3)5-6-17(16)27-20(19)22-18(24)9-12-23-10-7-14(2)8-11-23/h14-15H,4-13H2,1-3H3,(H,22,24)/t15-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem Lett 21: 1105-12 (2011) Article DOI: 10.1016/j.bmcl.2010.12.131 BindingDB Entry DOI: 10.7270/Q2V988B9
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