Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50228384'   

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))	BDBM50228384 (CHEMBL440983 | N1,N2-bis(2-(5,6,7,8-tetrahydroacri...) Show SMILES O=C(NCCNc1c2CCCCc2nc2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H36N6O2/c39-31(35-19-17-33-29-21-9-1-5-13-25(21)37-26-14-6-2-10-22(26)29)32(40)36-20-18-34-30-23-11-3-7-15-27(23)38-28-16-8-4-12-24(28)30/h1,3,5,7,9,11,13,15H,2,4,6,8,10,12,14,16-20H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)	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	6.65	n/a	n/a	n/a	n/a	n/a	n/a
Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum recombinant AChE by Ellman's method				J Med Chem 50: 6446-9 (2007) Article DOI: 10.1021/jm701225u BindingDB Entry DOI: 10.7270/Q2FN15Z6
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