Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50278985'   

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))	BDBM50278985 (CHEMBL4172060) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2ccc(Oc3ccccc3)cc2)cc(Cl)n1 Show InChI InChI=1S/C24H25Cl2N3O3/c25-22-15-19(16-23(26)29-22)28-24(30)31-14-6-2-5-13-27-17-18-9-11-21(12-10-18)32-20-7-3-1-4-8-20/h1,3-4,7-12,15-16,27H,2,5-6,13-14,17H2,(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
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