Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50138326'   

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))	BDBM50138326 (CHEMBL3753850) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H33N3O3/c1-34-25-16-10-11-20-19-26(35-28(20)25)29(33)31-18-9-3-2-8-17-30-27-21-12-4-6-14-23(21)32-24-15-7-5-13-22(24)27/h4,6,10-12,14,16,19H,2-3,5,7-9,13,15,17-18H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	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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