Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50139071'   

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))	BDBM50139071 (CHEMBL3754705) Show SMILES [O-][N+](=O)c1ccc(CC(=O)Nc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C17H13N3O3S/c21-16(10-12-6-8-14(9-7-12)20(22)23)19-17-18-15(11-24-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Linyi People's Hospital Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after 15...				Bioorg Med Chem Lett 26: 747-50 (2016) Article DOI: 10.1016/j.bmcl.2016.01.001 BindingDB Entry DOI: 10.7270/Q2GT5Q18
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