Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50544937'   

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))	BDBM50544937 (CHEMBL513063) Show SMILES COc1ccc(cc1)-c1csc(NC(=O)CCN2CCCC2)n1 Show InChI InChI=1S/C17H21N3O2S/c1-22-14-6-4-13(5-7-14)15-12-23-17(18-15)19-16(21)8-11-20-9-2-3-10-20/h4-7,12H,2-3,8-11H2,1H3,(H,18,19,21)	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	510	n/a	n/a	n/a	n/a	n/a	n/a
Hebei University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126985 BindingDB Entry DOI: 10.7270/Q2QR51QF
					More data for this Ligand-Target Pair