Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50394565'   

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))	BDBM50394565 (CHEMBL2160226) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCCOc2ccc(cc2)-c2oc3ccccc3c2C(=O)c2ccc(C)cc2)c1 Show InChI InChI=1S/C39H42N2O5/c1-28-16-18-30(19-17-28)37(42)36-34-14-7-8-15-35(34)46-38(36)31-20-22-32(23-21-31)44-25-10-6-4-5-9-24-41(3)27-29-12-11-13-33(26-29)45-39(43)40-2/h7-8,11-23,26H,4-6,9-10,24-25,27H2,1-3H3,(H,40,43)	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	880	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
					More data for this Ligand-Target Pair