Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50536300'   

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))	BDBM50536300 (CHEMBL4545234) Show SMILES COc1ccc(Br)c(Cn2cc(nn2)-c2ccc(C)c(c2)C(=O)NCCN2CCOCC2)c1 Show InChI InChI=1S/C24H28BrN5O3/c1-17-3-4-18(14-21(17)24(31)26-7-8-29-9-11-33-12-10-29)23-16-30(28-27-23)15-19-13-20(32-2)5-6-22(19)25/h3-6,13-14,16H,7-12,15H2,1-2H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.08E+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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