Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50394583'   

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))	BDBM50394583 (CHEMBL2160229) Show SMILES CN(CCCCCCCOc1cccc(c1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-20-22-30(23-21-28)36(39)35-33-18-9-10-19-34(33)41-37(35)31-16-13-17-32(26-31)40-25-12-5-3-4-11-24-38(2)27-29-14-7-6-8-15-29/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3	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	4.39E+4	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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