Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50456817'   

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))	BDBM50456817 (CHEMBL4218281) Show SMILES [Br-].Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(Br)c4)cc3)ccc12 Show InChI InChI=1S/C23H19BrNO3/c1-16-11-23(26)28-22-13-20(5-6-21(16)22)27-15-17-7-9-25(10-8-17)14-18-3-2-4-19(24)12-18/h2-13H,14-15H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai University of Traditional Chinese Medicine Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...				Eur J Med Chem 139: 48-59 (2017) Article DOI: 10.1016/j.ejmech.2017.07.055 BindingDB Entry DOI: 10.7270/Q2GM89X1
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