Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50456707'   

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))	BDBM50456707 (CHEMBL4209322) Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12 Show InChI InChI=1S/C19H23N3Se/c20-14-23-13-7-1-6-12-21-19-15-8-2-4-10-17(15)22-18-11-5-3-9-16(18)19/h2,4,8,10H,1,3,5-7,9,11-13H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot ana...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
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