Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50206878'   

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 (Mus musculus (mouse))	BDBM50206878 (CHEMBL3971906) Show SMILES COCCCN(CC1CCCN(CC#C)C1)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C23H30N2O3S/c1-3-13-24-14-6-8-20(18-24)19-25(15-7-16-28-2)29(26,27)23-12-11-21-9-4-5-10-22(21)17-23/h1,4-5,9-12,17,20H,6-8,13-16,18-19H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of mouse AChe using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by Ellman's m...				Bioorg Med Chem 25: 633-645 (2017) Article DOI: 10.1016/j.bmc.2016.11.032 BindingDB Entry DOI: 10.7270/Q2HH6N2G
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