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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50456712'   
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))
BDBM50456712
PNG
(CHEMBL4204015)
Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C26H37N3Se/c27-21-30-20-14-8-6-4-2-1-3-5-7-13-19-28-26-22-15-9-11-17-24(22)29-25-18-12-10-16-23(25)26/h9,11,15,17H,1-8,10,12-14,16,18-20H2,(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50456712
PNG
(CHEMBL4204015)
Show SMILES N#C[Se;v2][#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c1c2-[#6]-[#6]-[#6]-[#6]-c2nc2ccccc12
Show InChI InChI=1S/C26H37N3Se/c27-21-30-20-14-8-6-4-2-1-3-5-7-13-19-28-26-22-15-9-11-17-24(22)29-25-18-12-10-16-23(25)26/h9,11,15,17H,1-8,10,12-14,16,18-20H2,(H,28,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.10n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...


Eur J Med Chem 138: 761-773 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.048
BindingDB Entry DOI: 10.7270/Q2CV4MCJ
More data for this
Ligand-Target Pair