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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50271481'   
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


(Bos taurus (bovine))
BDBM50271481
PNG
(CHEMBL483513 | lycoparin B)
Show SMILES CN[C@@]12CC(=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C)C(O)=O |r,c:4,THB:18:4:15:7.8.14|
Show InChI InChI=1S/C16H18N2O3/c1-3-11-9-6-10(15(20)21)8-16(11,17-2)12-4-5-14(19)18-13(12)7-9/h3-6,9,11,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t9-,11+,16+/m0/s1
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Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Hoshi University

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase from bovine erythrocyte


Bioorg Med Chem 16: 6167-71 (2008)


Article DOI: 10.1016/j.bmc.2008.04.044
BindingDB Entry DOI: 10.7270/Q28S4PQ7
More data for this
Ligand-Target Pair