Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50052221'   

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))	BDBM50052221 (CHEMBL3318397) Show SMILES [Cl-].[O-][N+](=O)c1ccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)cc1 Show InChI InChI=1S/C21H15N3O3.ClH/c25-21-19(18-3-1-2-4-20(18)22-21)13-15-9-11-23(12-10-15)14-16-5-7-17(8-6-16)24(26)27;/h1-13H,14H2;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	744	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
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