Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50326658'   

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))	BDBM50326658 (CHEMBL1253928) Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r| Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				Bioorg Med Chem 18: 5071-80 (2010) Article DOI: 10.1016/j.bmc.2010.05.071 BindingDB Entry DOI: 10.7270/Q2XP75XQ
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