Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50146889'   

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))	BDBM50146889 (5-Methyl-1-[5-(2-oxo-4H-1,3-dioxa-2lambda*5*-phosp...) Show SMILES Cc1cn(C2OC(COP3(=O)OCc4c(O3)ccc3ccccc43)C=C2)c(=O)[nH]c1=O |c:27| Show InChI InChI=1S/C21H19N2O7P/c1-13-10-23(21(25)22-20(13)24)19-9-7-15(29-19)11-27-31(26)28-12-17-16-5-3-2-4-14(16)6-8-18(17)30-31/h2-10,15,19H,11-12H2,1H3,(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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