Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50146858'   

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))	BDBM50146858 (1-[5-(6-tert-Butyl-2-oxo-4H-2lambda*5*-benzo[1,3,2...) Show SMILES Cc1cn(C2OC(COP3(=O)OCc4cc(ccc4O3)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:26| Show InChI InChI=1S/C21H25N2O7P/c1-13-10-23(20(25)22-19(13)24)18-8-6-16(29-18)12-28-31(26)27-11-14-9-15(21(2,3)4)5-7-17(14)30-31/h5-10,16,18H,11-12H2,1-4H3,(H,22,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibitory activity towards Electrophorus electricus acetylcholinesterase				J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5
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