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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50357943'   
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))
BDBM50357943
PNG
(CHEMBL1916768)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
621n/an/an/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Electrophorus electricus AChE assessed as hydrolysis of acetylthiocholine by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50357943
PNG
(CHEMBL1916768)
Show SMILES Nc1c2CCCCc2nc2n(c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-22-18-13-7-8-14-20(18)25-23-19(22)15-21(16-9-3-1-4-10-16)26(23)17-11-5-2-6-12-17/h1-6,9-12,15H,7-8,13-14H2,(H2,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of Lisbon

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 10 mins before substrate addition by Ellman'...


Eur J Med Chem 46: 6119-30 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.038
BindingDB Entry DOI: 10.7270/Q27M08BS
More data for this
Ligand-Target Pair