Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50002845'   

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))	BDBM50002845 (CHEMBL3233937) Show SMILES Cn1c2cc(O)c(O)cc2c(O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c1=O Show InChI InChI=1S/C24H27N3O5/c1-26-18-12-20(29)19(28)11-17(18)22(30)21(24(26)32)23(31)25-13-15-7-9-27(10-8-15)14-16-5-3-2-4-6-16/h2-6,11-12,15,28-30H,7-10,13-14H2,1H3,(H,25,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Franche Comt£ Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...				Bioorg Med Chem 22: 2496-507 (2014) Article DOI: 10.1016/j.bmc.2014.02.046 BindingDB Entry DOI: 10.7270/Q28K7BMT
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