Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50326669'   

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))	BDBM50326669 (17-hydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyc...) Show SMILES CN1CC[C@]23[C@H]4Oc5cccc(C[C@@H]1[C@]2(O)CCC4=O)c35 |r| Show InChI InChI=1S/C17H19NO3/c1-18-8-7-16-14-10-3-2-4-12(14)21-15(16)11(19)5-6-17(16,20)13(18)9-10/h2-4,13,15,20H,5-9H2,1H3/t13-,15+,16+,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
					More data for this Ligand-Target Pair