Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50467525'   

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))	BDBM50467525 (CHEMBL4286806) Show SMILES CCN(CC)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(OC)cc3)c(=O)c2c1 Show InChI InChI=1S/C26H28N2O6/c1-4-28(5-2)14-15-33-24(29)13-7-18-6-12-23-21(16-18)25(30)22(17-34-23)26(31)27-19-8-10-20(32-3)11-9-19/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,31)/b13-7+	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	5.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Porto Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured after 5 mins by El...				Eur J Med Chem 158: 781-800 (2018) Article DOI: 10.1016/j.ejmech.2018.07.056 BindingDB Entry DOI: 10.7270/Q2F192DM
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