Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50371477'   

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))	BDBM50371477 (CHEMBL272700) Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OCCNC(=O)Cc3cc(F)cc(F)c3)ccc2oc1=O Show InChI InChI=1S/C35H32F2N2O4/c1-2-39(22-24-6-4-3-5-7-24)23-25-8-10-27(11-9-25)32-20-28-19-31(12-13-33(28)43-35(32)41)42-15-14-38-34(40)18-26-16-29(36)21-30(37)17-26/h3-13,16-17,19-21H,2,14-15,18,22-23H2,1H3,(H,38,40)	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	551	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman method				Bioorg Med Chem Lett 18: 423-6 (2008) Article DOI: 10.1016/j.bmcl.2007.09.100 BindingDB Entry DOI: 10.7270/Q2FN171X
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