Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50458455'   

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))	BDBM50458455 (CHEMBL4217126) Show SMILES COc1ccc(Cn2cc(C(=O)NCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C35H36N4O4/c1-42-24-14-12-23(13-15-24)21-39-22-29(34(40)27-9-4-6-11-32(27)39)35(41)37-19-7-18-36-33-26-8-3-5-10-30(26)38-31-17-16-25(43-2)20-28(31)33/h4,6,9,11-17,20,22H,3,5,7-8,10,18-19,21H2,1-2H3,(H,36,38)(H,37,41)	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	2.24E+3	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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