Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50138285'   

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))	BDBM50138285 (CHEMBL3752555) Show SMILES O=C(NCCCCCCNc1c2CCCc2nc2ccccc12)c1cc2ccccc2o1 Show InChI InChI=1S/C27H29N3O2/c31-27(25-18-19-10-3-6-15-24(19)32-25)29-17-8-2-1-7-16-28-26-20-11-4-5-13-22(20)30-23-14-9-12-21(23)26/h3-6,10-11,13,15,18H,1-2,7-9,12,14,16-17H2,(H,28,30)(H,29,31)	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	16	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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