Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50342607'   

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))	BDBM50342607 (2,5-bis(6-(benzo[d]thiazol-2-ylmethylamino)hexylam...) Show SMILES Oc1cc(N=CCCCCCNCc2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C34H42N6O2S2/c41-29-22-28(38-20-12-4-2-10-18-36-24-34-40-26-14-6-8-16-32(26)44-34)30(42)21-27(29)37-19-11-3-1-9-17-35-23-33-39-25-13-5-7-15-31(25)43-33/h5-8,13-16,19,21-22,35-36,38,41-42H,1-4,9-12,17-18,20,23-24H2	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	2.20E+4	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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