Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50536301'   

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))	BDBM50536301 (CHEMBL4547644) Show SMILES Cc1cc(C)cc(Cn2cc(nn2)-c2ccc(C)c(c2)C(=O)NCCN2CCOCC2)c1 Show InChI InChI=1S/C25H31N5O2/c1-18-12-19(2)14-21(13-18)16-30-17-24(27-28-30)22-5-4-20(3)23(15-22)25(31)26-6-7-29-8-10-32-11-9-29/h4-5,12-15,17H,6-11,16H2,1-3H3,(H,26,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.42E+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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