Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50324069'   

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))	BDBM50324069 (2-Chloro-6-(7'-azabicyclo[2.2.1]heptan-7'-yl)pyrid...) Show SMILES Clc1nc(N2C3CCC2CC3)c(cc1C#N)C#N |TLB:3:4:6.7:10.9| Show InChI InChI=1S/C13H11ClN4/c14-12-8(6-15)5-9(7-16)13(17-12)18-10-1-2-11(18)4-3-10/h5,10-11H,1-4H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE after 10 mins by Ellman's method				Bioorg Med Chem 18: 5861-72 (2010) Article DOI: 10.1016/j.bmc.2010.06.095 BindingDB Entry DOI: 10.7270/Q23J3D5D
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