Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50028677'   

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))	BDBM50028677 (CHEMBL3356528) Show SMILES COc1ccc2nc3CCCCc3c(NCCNC3=CC(=O)c4ccccc4C3=O)c2c1 |t:19| Show InChI InChI=1S/C26H25N3O3/c1-32-16-10-11-22-20(14-16)25(19-8-4-5-9-21(19)29-22)28-13-12-27-23-15-24(30)17-6-2-3-7-18(17)26(23)31/h2-3,6-7,10-11,14-15,27H,4-5,8-9,12-13H2,1H3,(H,28,29)	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	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
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