Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50324860'   

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))	BDBM50324860 (1-benzoyl-2-acetyllycorine | CHEMBL1222026) Show SMILES CC(=O)O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@@H]23)[C@@H]1OC(=O)c1ccccc1 |r,t:5| Show InChI InChI=1S/C25H23NO6/c1-14(27)31-21-9-16-7-8-26-12-17-10-19-20(30-13-29-19)11-18(17)22(23(16)26)24(21)32-25(28)15-5-3-2-4-6-15/h2-6,9-11,21-24H,7-8,12-13H2,1H3/t21-,22-,23+,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McMaster University Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's assay				Bioorg Med Chem Lett 20: 5290-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.130 BindingDB Entry DOI: 10.7270/Q2CN7437
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