Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50138463'   

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))	BDBM50138463 (CHEMBL3753957) Show SMILES COc1cccc2cc(CN(CCCCCCNc3c4CCCCc4nc4ccccc34)Cc3cc4cccc(OC)c4o3)oc12 Show InChI InChI=1S/C39H43N3O4/c1-43-35-19-11-13-27-23-29(45-38(27)35)25-42(26-30-24-28-14-12-20-36(44-2)39(28)46-30)22-10-4-3-9-21-40-37-31-15-5-7-17-33(31)41-34-18-8-6-16-32(34)37/h5,7,11-15,17,19-20,23-24H,3-4,6,8-10,16,18,21-22,25-26H2,1-2H3,(H,40,41)	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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				J Med Chem 59: 114-31 (2016) Article DOI: 10.1021/acs.jmedchem.5b01119 BindingDB Entry DOI: 10.7270/Q2S75J5X
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