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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50359292'   
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))
BDBM50359292
PNG
(CHEMBL1928393)
Show SMILES CC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,8H2,1H3,(H,9,10,11)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.25E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay


Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50359292
PNG
(CHEMBL1928393)
Show SMILES CC(=O)Nc1ccncc1N
Show InChI InChI=1S/C7H9N3O/c1-5(11)10-7-2-3-9-4-6(7)8/h2-4H,8H2,1H3,(H,9,10,11)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.13E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay


Bioorg Med Chem 19: 6203-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.019
BindingDB Entry DOI: 10.7270/Q25B02XJ
More data for this
Ligand-Target Pair