Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50467514'   

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))	BDBM50467514 (CHEMBL4285749) Show SMILES CN(C)CCOC(=O)\C=C\c1ccc2occ(C(=O)Nc3ccc(Cl)cc3)c(=O)c2c1 Show InChI InChI=1S/C23H21ClN2O5/c1-26(2)11-12-30-21(27)10-4-15-3-9-20-18(13-15)22(28)19(14-31-20)23(29)25-17-7-5-16(24)6-8-17/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)/b10-4+	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	9.32E+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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