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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50204844'   
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))
BDBM50204844
PNG
(CHEMBL3954267)
Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H28N4O3/c1-4-7-16-20-19(13-10-11-17(29-2)18(12-13)30-3)21-22(25)14-8-5-6-9-15(14)26-23(21)31-24(20)28-27-16/h10-12,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.47E+3n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...


Eur J Med Chem 123: 298-308 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.043
BindingDB Entry DOI: 10.7270/Q2V40X55
More data for this
Ligand-Target Pair