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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50306693'   
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))
BDBM50306693
PNG
(2-(Benzylaminocarbonyloxy)-5-O-(phenylpropyloxy)-1...)
Show SMILES O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](CCCc3ccccc3)CO[C@H]12 |r|
Show InChI InChI=1S/C23H27NO4/c25-23(24-14-18-10-5-2-6-11-18)28-20-16-27-21-19(15-26-22(20)21)13-7-12-17-8-3-1-4-9-17/h1-6,8-11,19-22H,7,12-16H2,(H,24,25)/t19-,20+,21-,22-/m1/s1
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Similars

Article
PubMed
n/an/a 201n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE preincubated for 30 mins before substrate addition by Ellman's assay


Bioorg Med Chem 18: 1045-53 (2010)


Article DOI: 10.1016/j.bmc.2009.12.052
BindingDB Entry DOI: 10.7270/Q2CZ3789
More data for this
Ligand-Target Pair