Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50304246'   

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))	BDBM50304246 (6,7-Dimethoxy-2-[4-(piperidin-1-ylmethyl)-phenyl]-...) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C22H23NO4/c1-25-21-12-17-18(24)13-19(27-20(17)14-22(21)26-2)15-6-8-16(9-7-15)23-10-4-3-5-11-23/h6-9,12-14H,3-5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of AChE in rat cortex after 15 mins by modified Ellman's method				Bioorg Med Chem 17: 6692-8 (2009) Article DOI: 10.1016/j.bmc.2009.07.072 BindingDB Entry DOI: 10.7270/Q29S1R4M
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