Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50211250'   

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))	BDBM50211250 (1-methyl-1-[3-(7-oxo-7H-1-aza-benzo[de]anthracen-9...) Show SMILES C[N+]1(CCCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1 Show InChI InChI=1S/C25H25N3O2/c1-28(13-2-3-14-28)15-5-8-22(29)27-18-9-10-19-21(16-18)25(30)20-7-4-6-17-11-12-26-24(19)23(17)20/h4,6-7,9-12,16H,2-3,5,8,13-15H2,1H3/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51	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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