Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50463667'   

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))	BDBM50463667 (CHEMBL4248378) Show SMILES CN1CCc2oc3ccc(Br)cc3c(=O)c2C1 Show InChI InChI=1S/C13H12BrNO2/c1-15-5-4-12-10(7-15)13(16)9-6-8(14)2-3-11(9)17-12/h2-3,6H,4-5,7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butylthiocholine iodide as substrate incubated for 10 mins followed by substrate addition by Ellman's method				Bioorg Med Chem 26: 4716-4725 (2018) Article DOI: 10.1016/j.bmc.2018.08.010 BindingDB Entry DOI: 10.7270/Q2RR21X9
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