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PubMed code 18613661

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
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50359990
PNG
(PRUNETIN)
Show SMILES COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
PDB
MMDB

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Article
PubMed
450n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALDH2


J Med Chem 51: 4482-7 (2008)


Article DOI: 10.1021/jm800488j
BindingDB Entry DOI: 10.7270/Q2QF8TRF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%