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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50433014'   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433014
PNG
(CHEMBL2375927)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C25H23N5O2/c31-22(10-13-29-11-3-4-12-29)26-16-7-8-21-19(15-16)25(32)30-14-9-18-17-5-1-2-6-20(17)27-23(18)24(30)28-21/h1-2,5-9,14-15,27H,3-4,10-13H2,(H,26,31)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...


Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair