Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50394563'   

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))	BDBM50394563 (CHEMBL2160234) Show SMILES COc1cc(OC)cc(c1)C(=O)c1c(oc2ccccc12)-c1cccc(OCCCCCCCN(C)Cc2ccccc2)c1 Show InChI InChI=1S/C38H41NO5/c1-39(27-28-15-8-7-9-16-28)21-12-5-4-6-13-22-43-31-18-14-17-29(23-31)38-36(34-19-10-11-20-35(34)44-38)37(40)30-24-32(41-2)26-33(25-30)42-3/h7-11,14-20,23-26H,4-6,12-13,21-22,27H2,1-3H3	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	48	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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