Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50536293'   

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))	BDBM50536293 (CHEMBL4524162) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2cccc(Br)c2)nn1 Show InChI InChI=1S/C23H26BrN5O2/c1-17-5-6-19(14-21(17)23(30)25-7-8-28-9-11-31-12-10-28)22-16-29(27-26-22)15-18-3-2-4-20(24)13-18/h2-6,13-14,16H,7-12,15H2,1H3,(H,25,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jinan Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 6 mins followed by addition of S-butyrylthiocholine iodide by Ellman's method				Bioorg Med Chem Lett 26: 3881-5 (2016) Article DOI: 10.1016/j.bmcl.2016.07.017 BindingDB Entry DOI: 10.7270/Q2KW5KJZ
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