Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50345206'   

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))	BDBM50345206 (CHEMBL1783242 | N1-(Pyridin-4-ylmethyl)-N8-(1,2,3,...) Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNCc1ccncc1 Show InChI InChI=1S/C27H36N4/c1(3-9-17-29-21-22-15-19-28-20-16-22)2-4-10-18-30-27-23-11-5-7-13-25(23)31-26-14-8-6-12-24(26)27/h5,7,11,13,15-16,19-20,29H,1-4,6,8-10,12,14,17-18,21H2,(H,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	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 assessed as inhibition of acetylthiocholine chloride substrate hydrolysis incubated for 15 mins before substrate addi...				Eur J Med Chem 46: 2609-16 (2011) Article DOI: 10.1016/j.ejmech.2011.03.058 BindingDB Entry DOI: 10.7270/Q2BV7GZB
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