Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50361667'   

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))	BDBM50361667 (CHEMBL1940617) Show SMILES NCCCCCC=Nc1cc(O)c2ccccc2c1O |w:7.7| Show InChI InChI=1S/C16H20N2O2/c17-9-5-1-2-6-10-18-14-11-15(19)12-7-3-4-8-13(12)16(14)20/h3-4,7-8,10-11,19-20H,1-2,5-6,9,17H2	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	6.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate after 20 mins preincubation by Ellman method				J Med Chem 54: 8299-304 (2011) Article DOI: 10.1021/jm200691d BindingDB Entry DOI: 10.7270/Q2V40VNM
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