Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM8983'   

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))	BDBM8983 (N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-{5H,10H-inde...) Show SMILES O=C(CNC1c2ccccc2-c2[nH]c3ccccc3c12)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C31H34N4O/c36-28(32-17-14-22-15-18-35(19-16-22)21-23-8-2-1-3-9-23)20-33-30-24-10-4-5-11-25(24)31-29(30)26-12-6-7-13-27(26)34-31/h1-13,22,30,33-34H,14-21H2,(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	869	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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