Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50138439'   

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))	BDBM50138439 (CHEMBL3752543) Show SMILES C(CCCNCc1cc2ccccc2o1)CCCNc1c2CCCc2nc2ccccc12 Show InChI InChI=1S/C28H33N3O/c1(2-8-17-29-20-22-19-21-11-4-7-16-27(21)32-22)3-9-18-30-28-23-12-5-6-14-25(23)31-26-15-10-13-24(26)28/h4-7,11-12,14,16,19,29H,1-3,8-10,13,15,17-18,20H2,(H,30,31)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X
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