Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50394571'   

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))	BDBM50394571 (CHEMBL2160231) Show SMILES COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C37H39NO4/c1-38(27-28-15-7-6-8-16-28)23-11-4-3-5-12-24-41-32-20-14-18-30(26-32)37-35(33-21-9-10-22-34(33)42-37)36(39)29-17-13-19-31(25-29)40-2/h6-10,13-22,25-26H,3-5,11-12,23-24,27H2,1-2H3	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	1.37E+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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