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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50358312'   
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


(Homo sapiens (Human))
BDBM50358312
PNG
(CHEMBL1922541)
Show SMILES COC(=O)C(OP(C)(=O)OCC#C)C(F)(F)F
Show InChI InChI=1S/C8H10F3O5P/c1-4-5-15-17(3,13)16-6(7(12)14-2)8(9,10)11/h1,6H,5H2,2-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.36E+4n/an/an/an/an/an/a



Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE incubated for 12 mins before addition of acetylthiocholine iodide substrate by spectrophotometric analysis


Bioorg Med Chem Lett 21: 7216-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.030
BindingDB Entry DOI: 10.7270/Q2W66M65
More data for this
Ligand-Target Pair