Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50138284'   

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))	BDBM50138284 (CHEMBL3754005) Show SMILES COc1cccc2cc(CN(CCCCCCCNc3c4CCCCCc4nc4ccccc34)Cc3cc4cccc(OC)c4o3)oc12 Show InChI InChI=1S/C41H47N3O4/c1-45-37-21-13-15-29-25-31(47-40(29)37)27-44(28-32-26-30-16-14-22-38(46-2)41(30)48-32)24-12-5-3-4-11-23-42-39-33-17-7-6-8-19-35(33)43-36-20-10-9-18-34(36)39/h9-10,13-16,18,20-22,25-26H,3-8,11-12,17,19,23-24,27-28H2,1-2H3,(H,42,43)	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	4.90	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
					More data for this Ligand-Target Pair