Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50261238'   

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))	BDBM50261238 ((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...) Show SMILES COc1ccc(cc1OC)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C38H41NO5/c1-39(27-28-14-8-7-9-15-28)24-12-5-4-6-13-25-43-31-21-18-29(19-22-31)38-36(32-16-10-11-17-33(32)44-38)37(40)30-20-23-34(41-2)35(26-30)42-3/h7-11,14-23,26H,4-6,12-13,24-25,27H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method				J Med Chem 51: 2883-6 (2008) Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ
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