Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM8981'   

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 (Rattus norvegicus (rat))	BDBM8981 (N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimeth...) Show SMILES COc1ccc(cc1OC)C(=O)NCC(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H33N3O4/c1-31-22-9-8-21(16-23(22)32-2)25(30)27-17-24(29)26-13-10-19-11-14-28(15-12-19)18-20-6-4-3-5-7-20/h3-9,16,19H,10-15,17-18H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	662	n/a	n/a	n/a	n/a	8.0	25
Shanghai Institute of Materia Medica					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The appearance of product was monitored at 412 nm for 5 min us...				Bioorg Med Chem Lett 14: 4639-42 (2004) Article DOI: 10.1016/j.bmcl.2004.07.005 BindingDB Entry DOI: 10.7270/Q23X84VR
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