Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM8966'   

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))	BDBM8966 (N,N-Bis[3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]p...) Show SMILES CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C34H43N5/c1-2-39(23-11-21-35-33-25-13-3-7-17-29(25)37-30-18-8-4-14-26(30)33)24-12-22-36-34-27-15-5-9-19-31(27)38-32-20-10-6-16-28(32)34/h3,5,7,9,13,15,17,19H,2,4,6,8,10-12,14,16,18,20-24H2,1H3,(H,35,37)(H,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	-48.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Universita di Siena					Assay Description Inhibition of enzyme activity was measured over a substrate concentration range of 0.01-30 mM and at least six inhibitor concentrations to determine ...				J Med Chem 48: 1919-29 (2005) Article DOI: 10.1021/jm049510k BindingDB Entry DOI: 10.7270/Q27P8WMJ
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