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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50466178'   
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))
BDBM50466178
PNG
(CHEMBL4282100)
Show SMILES CCCCCCCCCCCCCCCCC\C=C\C(O)=O
Show InChI InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/b19-18+
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.51E+3n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and me...


Bioorg Med Chem Lett 28: 3315-3319 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.013
BindingDB Entry DOI: 10.7270/Q2SQ932J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50466178
PNG
(CHEMBL4282100)
Show SMILES CCCCCCCCCCCCCCCCC\C=C\C(O)=O
Show InChI InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/b19-18+
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
7.15E+3n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and me...


Bioorg Med Chem Lett 28: 3315-3319 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.013
BindingDB Entry DOI: 10.7270/Q2SQ932J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50466178
PNG
(CHEMBL4282100)
Show SMILES CCCCCCCCCCCCCCCCC\C=C\C(O)=O
Show InChI InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/b19-18+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1...


Bioorg Med Chem Lett 28: 3315-3319 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.013
BindingDB Entry DOI: 10.7270/Q2SQ932J
More data for this
Ligand-Target Pair