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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50068291'   
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))
BDBM50068291
PNG
(CHEMBL3402292)
Show SMILES Fc1ccccc1CN1CCC(CC1)NCCCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C26H32FN3O2/c27-24-12-6-3-9-20(24)19-29-17-13-21(14-18-29)28-15-7-1-2-8-16-30-25(31)22-10-4-5-11-23(22)26(30)32/h3-6,9-12,21,28H,1-2,7-8,13-19H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.53E+4n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins by Ellman method


Bioorg Med Chem 23: 2445-57 (2015)


Article DOI: 10.1016/j.bmc.2015.03.051
BindingDB Entry DOI: 10.7270/Q2CZ38VB
More data for this
Ligand-Target Pair