Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50211245'   

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))	BDBM50211245 (3-(2-hydroxy-ethylamino)-N-(7-oxo-7H-1-aza-benzo[d...) Show SMILES OCCNCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13 Show InChI InChI=1S/C21H19N3O3/c25-11-10-22-8-7-18(26)24-14-4-5-15-17(12-14)21(27)16-3-1-2-13-6-9-23-20(15)19(13)16/h1-6,9,12,22,25H,7-8,10-11H2,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.1	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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