Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50342609'   

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))	BDBM50342609 (2,5-bis(6-(4-(benzo[d]thiazol-2-yl)benzylamino)hex...) Show SMILES Oc1cc(N=CCCCCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C46H50N6O2S2/c53-41-30-40(50-28-12-4-2-10-26-48-32-34-19-23-36(24-20-34)46-52-38-14-6-8-16-44(38)56-46)42(54)29-39(41)49-27-11-3-1-9-25-47-31-33-17-21-35(22-18-33)45-51-37-13-5-7-15-43(37)55-45/h5-8,13-24,27,29-30,47-48,50,53-54H,1-4,9-12,25-26,28,31-32H2	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	305	n/a	n/a	n/a	n/a	n/a	n/a
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum AChE				Bioorg Med Chem Lett 21: 2655-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.093 BindingDB Entry DOI: 10.7270/Q2445MSW
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