Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50458449'   

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))	BDBM50458449 (CHEMBL4214900) Show SMILES COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C38H42N4O3/c1-45-28-21-19-27(20-22-28)25-42-26-32(37(43)31-15-7-10-18-35(31)42)38(44)40-24-12-4-2-3-11-23-39-36-29-13-5-8-16-33(29)41-34-17-9-6-14-30(34)36/h5,7-8,10,13,15-16,18-22,26H,2-4,6,9,11-12,14,17,23-25H2,1H3,(H,39,41)(H,40,44)	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	194	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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