Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50536290'   

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))	BDBM50536290 (CHEMBL4525497) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)cc2Cl)nn1 Show InChI InChI=1S/C23H25ClFN5O2/c1-16-2-3-17(12-20(16)23(31)26-6-7-29-8-10-32-11-9-29)22-15-30(28-27-22)14-18-4-5-19(25)13-21(18)24/h2-5,12-13,15H,6-11,14H2,1H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 6 mins followed by addition of acetylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
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