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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50557532'   
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))
BDBM50557532
PNG
(CHEMBL4792421)
Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.0820n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of Electrophorus electricus AChE using varying levels of acetylthiocholine iodide as substrate preincubated for 15 mins follow...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116074
BindingDB Entry DOI: 10.7270/Q2HX1HBN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50557532
PNG
(CHEMBL4792421)
Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116074
BindingDB Entry DOI: 10.7270/Q2HX1HBN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50557532
PNG
(CHEMBL4792421)
Show SMILES COc1cc2C(=O)O\C(=C/c3ccc(O)c(c3)N3CCCCC3)c2cc1OC
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.616n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 15 mins by Ellman's method


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116074
BindingDB Entry DOI: 10.7270/Q2HX1HBN
More data for this
Ligand-Target Pair