Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50458451'   

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))	BDBM50458451 (CHEMBL4205374) Show SMILES COc1ccc(Cn2cc(C(=O)NCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C33H32N4O3/c1-40-23-16-14-22(15-17-23)20-37-21-27(32(38)26-10-4-7-13-30(26)37)33(39)35-19-18-34-31-24-8-2-5-11-28(24)36-29-12-6-3-9-25(29)31/h2,4-5,7-8,10-11,13-17,21H,3,6,9,12,18-20H2,1H3,(H,34,36)(H,35,39)	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	187	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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