Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50394573'   

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))	BDBM50394573 (CHEMBL2160230) Show SMILES COc1ccccc1C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C37H39NO4/c1-38(27-28-16-7-6-8-17-28)24-13-4-3-5-14-25-41-30-19-15-18-29(26-30)37-35(31-20-9-12-23-34(31)42-37)36(39)32-21-10-11-22-33(32)40-2/h6-12,15-23,26H,3-5,13-14,24-25,27H2,1-2H3	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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins prior to substrate addition by Ellman's method				Eur J Med Chem 58: 519-32 (2012) Article DOI: 10.1016/j.ejmech.2012.10.045 BindingDB Entry DOI: 10.7270/Q2XW4KW5
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