Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50306348'   

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))	BDBM50306348 (4-(5,6,7,8-Tetrahydro-2-naphthalenyl)-4-oxo-N-phen...) Show SMILES O=C(Nc1ccccc1)C(CC(=O)c1ccc2CCCCc2c1)N1CCOCC1 Show InChI InChI=1S/C24H28N2O3/c27-23(20-11-10-18-6-4-5-7-19(18)16-20)17-22(26-12-14-29-15-13-26)24(28)25-21-8-2-1-3-9-21/h1-3,8-11,16,22H,4-7,12-15,17H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 1181-93 (2010) Article DOI: 10.1016/j.bmc.2009.12.042 BindingDB Entry DOI: 10.7270/Q2ZW1M1J
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