Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50361452'   

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))	BDBM50361452 (CHEMBL1938461) Show SMILES CC(=O)NN1c2ccccc2Sc2cc(Cl)ccc12 Show InChI InChI=1S/C14H11ClN2OS/c1-9(18)16-17-11-4-2-3-5-13(11)19-14-8-10(15)6-7-12(14)17/h2-8H,1H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of BuChE in horse serum using butyrylthiocholine as substrate by Ellman method				Eur J Med Chem 46: 2224-35 (2011) Article DOI: 10.1016/j.ejmech.2011.03.003 BindingDB Entry DOI: 10.7270/Q2X34XWC
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