Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50232243'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50232243 (CHEMBL4068340) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCN1CCCCC1 Show InChI InChI=1S/C24H30N2O3/c1-28-23-19-20(12-14-24(27)25-21-9-4-2-5-10-21)11-13-22(23)29-18-8-17-26-15-6-3-7-16-26/h2,4-5,9-14,19H,3,6-8,15-18H2,1H3,(H,25,27)/b14-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method				Eur J Med Chem 126: 810-822 (2017) Article DOI: 10.1016/j.ejmech.2016.12.003 BindingDB Entry DOI: 10.7270/Q2HH6N9M
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