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PubMed code 23941108

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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


(Mus musculus (mouse))
BDBM50438366
PNG
(CHEMBL448799 | N-Demethylhuperzinine)
Show SMILES CN[C@@]12CC(C)=C[C@@H](Cc3[nH]c(=O)ccc13)[C@H]2C=C |r,c:5,TLB:5:4:9.15.8:16|
Show InChI InChI=1S/C16H20N2O/c1-4-12-11-7-10(2)9-16(12,17-3)13-5-6-15(19)18-14(13)8-11/h4-7,11-12,17H,1,8-9H2,2-3H3,(H,18,19)/t11-,12+,16+/m0/s1
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Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of mouse skeletal AChE


J Nat Prod 76: 1475-84 (2013)


Article DOI: 10.1021/np4003355
BindingDB Entry DOI: 10.7270/Q22B90FX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%