Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50504686'   

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 (Homo sapiens (Human))	BDBM50504686 (CHEMBL4441833) Show SMILES Cc1cc(=O)n(C)c(=O)n1CCCCn1cnc(n1)C(=O)NO Show InChI InChI=1S/C13H18N6O4/c1-9-7-10(20)17(2)13(22)19(9)6-4-3-5-18-8-14-11(15-18)12(21)16-23/h7-8,23H,3-6H2,1-2H3,(H,16,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.06E+7	n/a	n/a	n/a	n/a	n/a
Kazan Scientific Center of the Russian Academy of Sciences Curated by ChEMBL					Assay Description Reactivation of POX-inhibited human recombinant AChE assessed as dissociation rate constant using ATC as substrate incubated for 60 mins followed by ...				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111787 BindingDB Entry DOI: 10.7270/Q22J6G4M
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