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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase' and Monomerid = 50104884   
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))
BDBM50104884
PNG
(CHEMBL326803 | [3-(4-Hydroxy-phenyl)-4-oxo-4H-chro...)
Show SMILES CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C19H16O6/c1-2-23-18(21)11-24-14-7-8-15-17(9-14)25-10-16(19(15)22)12-3-5-13(20)6-4-12/h3-10,20H,2,11H2,1H3
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Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair