Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50119081'   

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 (Equus caballus (Horse))	BDBM50119081 (CHEMBL3617385) Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(Br)ccc3o2)cc1 Show InChI InChI=1S/C18H11BrN4O4S/c19-11-1-6-15-10(7-11)8-16(27-15)14-9-28-18(21-14)22-17(24)20-12-2-4-13(5-3-12)23(25)26/h1-9H,(H2,20,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition ...				Eur J Med Chem 102: 80-92 (2015) Article DOI: 10.1016/j.ejmech.2015.07.005 BindingDB Entry DOI: 10.7270/Q2JM2CFX
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