Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50138753'   

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))	BDBM50138753 ((5-(ethylthio)-3-(4-methoxyphenyl)-1H-1,2,4-triazo...) Show SMILES CCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(OC)cc1 Show InChI InChI=1S/C16H20N4O3S/c1-3-24-15-17-14(12-4-6-13(22-2)7-5-12)18-20(15)16(21)19-8-10-23-11-9-19/h4-7H,3,8-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibitory concentration against acetylcholinesterase				J Med Chem 47: 400-10 (2004) Article DOI: 10.1021/jm031004s BindingDB Entry DOI: 10.7270/Q2ZG6RN1
					More data for this Ligand-Target Pair