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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50458443'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Cholinesterase


(Homo sapiens (Human))		BDBM50458443
PNG
(CHEMBL4212151)
Show SMILES COc1ccc(Cn2cc(C(=O)NCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C34H34N4O4/c1-41-23-13-11-22(12-14-23)20-38-21-28(33(39)26-8-4-6-10-31(26)38)34(40)36-18-17-35-32-25-7-3-5-9-29(25)37-30-16-15-24(42-2)19-27(30)32/h4,6,8,10-16,19,21H,3,5,7,9,17-18,20H2,1-2H3,(H,35,37)(H,36,40)
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MMDB

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University of Defence

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...

Eur J Med Chem 150: 292-306 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.083
BindingDB Entry DOI: 10.7270/Q2W95CT0
More data for this
Ligand-Target Pair