Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50536292'   

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))	BDBM50536292 (CHEMBL4536296) Show SMILES Cc1ccc(cc1C(=O)NCCN1CCOCC1)-c1cn(Cc2ccc(F)c(c2)[N+]([O-])=O)nn1 Show InChI InChI=1S/C23H25FN6O4/c1-16-2-4-18(13-19(16)23(31)25-6-7-28-8-10-34-11-9-28)21-15-29(27-26-21)14-17-3-5-20(24)22(12-17)30(32)33/h2-5,12-13,15H,6-11,14H2,1H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+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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