Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50005496'   

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))	BDBM50005496 (CHEMBL13426 | {5-[7-(5-Dimethylaminomethyl-furan-2...) Show SMILES CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1 Show InChI InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of human Acetylcholinesterase				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
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