Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50235366'   

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))	BDBM50235366 (CHEMBL4093419) Show SMILES COc1cc(CCc2ccc(Nc3c4CCCCc4nc4ccccc34)cc2)cc(OC)c1 Show InChI InChI=1S/C29H30N2O2/c1-32-23-17-21(18-24(19-23)33-2)12-11-20-13-15-22(16-14-20)30-29-25-7-3-5-9-27(25)31-28-10-6-4-8-26(28)29/h3,5,7,9,13-19H,4,6,8,10-12H2,1-2H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase isolated from human red blood cells using acetylthiocholine as substrate preincubated for 5 mins followed by subst...				Eur J Med Chem 127: 250-262 (2017) Article DOI: 10.1016/j.ejmech.2016.12.048 BindingDB Entry DOI: 10.7270/Q20P1289
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