Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50458459'   

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))	BDBM50458459 (CHEMBL4215217) Show SMILES COc1ccc(Cn2cc(C(=O)NCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C33H31ClN4O3/c1-41-23-13-10-21(11-14-23)19-38-20-27(32(39)26-7-3-5-9-30(26)38)33(40)36-17-16-35-31-24-6-2-4-8-28(24)37-29-18-22(34)12-15-25(29)31/h3,5,7,9-15,18,20H,2,4,6,8,16-17,19H2,1H3,(H,35,37)(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...				Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0
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