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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50464947'   
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))
BDBM50464947
PNG
(CHEMBL4277879)
Show SMILES Cc1[nH]c2ccccc2c1CC(=O)NCCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H31N3O/c1-19-23(22-9-5-6-10-24(22)27-19)17-25(29)26-14-11-20-12-15-28(16-13-20)18-21-7-3-2-4-8-21/h2-10,20,27H,11-18H2,1H3,(H,26,29)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of S£o Paulo

Curated by ChEMBL


Assay Description
Inhibition of recombinant human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measure...


Eur J Med Chem 145: 431-444 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.007
BindingDB Entry DOI: 10.7270/Q2JQ13PD
More data for this
Ligand-Target Pair