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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50139007'   
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))
BDBM50139007
PNG
(CHEMBL3754287)
Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1
Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.24E+4n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Mixed inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.024
BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139007
PNG
(CHEMBL3754287)
Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1
Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.96E+4n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...


Eur J Med Chem 108: 687-700 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.024
BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair