Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50040211'   

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 (Mus musculus (mouse))	BDBM50040211 (CHEMBL3359474) Show SMILES Cl.COc1cc(\C=C2/Oc3cc(OCCN4CCCCC4)ccc3C2=O)cc(OC)c1OC Show InChI InChI=1S/C25H29NO6.ClH/c1-28-22-14-17(15-23(29-2)25(22)30-3)13-21-24(27)19-8-7-18(16-20(19)32-21)31-12-11-26-9-5-4-6-10-26;/h7-8,13-16H,4-6,9-12H2,1-3H3;1H/b21-13-;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyung Hee University Curated by ChEMBL					Assay Description Inhibition of ICR mouse brain AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by modified Ellman'...				Bioorg Med Chem 23: 231-40 (2014) Article DOI: 10.1016/j.bmc.2014.11.004 BindingDB Entry DOI: 10.7270/Q2V126FS
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