Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50162931'   

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))	BDBM50162931 (CHEMBL3792674) Show SMILES Oc1ccc(cc1)-c1cc2cc(Cl)ccc2o1 Show InChI InChI=1S/C14H9ClO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method				Bioorg Med Chem Lett 26: 2308-13 (2016) Article DOI: 10.1016/j.bmcl.2016.03.039 BindingDB Entry DOI: 10.7270/Q2ZP481G
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