Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50079371'   

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))	BDBM50079371 (CHEMBL3417002) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C21H26ClN3O2/c1-27-21-12-19(23)18(22)11-17(21)20(26)5-4-15-6-9-25(10-7-15)14-16-3-2-8-24-13-16/h2-3,8,11-13,15H,4-7,9-10,14,23H2,1H3	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	45	n/a	n/a	n/a	n/a	n/a	n/a
CERMN Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE pre-incubated for 5 mins before acetylthiocholine iodide substrate by Ellman' method				J Med Chem 58: 3172-87 (2015) Article DOI: 10.1021/acs.jmedchem.5b00115 BindingDB Entry DOI: 10.7270/Q2HQ41MH
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