Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50370522'   

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))	BDBM50370522 (CHEMBL610242) Show SMILES COc1cc2CC(Sc2cc1OC)C(=O)CCc1cc[n+](Cc2coc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C23H23N2O6S/c1-29-19-10-17-11-22(32-21(17)12-20(19)30-2)18(26)4-3-15-5-7-24(8-6-15)13-16-9-23(25(27)28)31-14-16/h5-10,12,14,22H,3-4,11,13H2,1-2H3/q+1	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay				J Med Chem 47: 5492-500 (2004) Article DOI: 10.1021/jm049695v BindingDB Entry DOI: 10.7270/Q2765G3W
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