Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50211252'   

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))	BDBM50211252 (1-methyl-1-[(7-oxo-7H-1-aza-benzo[de]anthracen-9-y...) Show SMILES C[N+]1(CC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1 Show InChI InChI=1S/C23H21N3O2/c1-26(11-2-3-12-26)14-20(27)25-16-7-8-17-19(13-16)23(28)18-6-4-5-15-9-10-24-22(17)21(15)18/h4-10,13H,2-3,11-12,14H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 17: 3765-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.015 BindingDB Entry DOI: 10.7270/Q28C9X2C
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