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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50500453'   
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


(Equus caballus (Horse))		BDBM50500453
PNG
(CHEMBL3746191)
Show SMILES COc1ccccc1OCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C23H20N2O6/c1-13-11-20(26)31-21-14(13)7-8-17-15(21)12-16(22(24)30-17)23(27)25-9-10-29-19-6-4-3-5-18(19)28-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.48E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair