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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase' and Monomerid = 50104897   
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))
BDBM50104897
PNG
(2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCCCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC
Show InChI InChI=1S/C25H28O6/c1-3-5-6-7-8-22(25(28)29-4-2)31-19-13-14-20-23(15-19)30-16-21(24(20)27)17-9-11-18(26)12-10-17/h9-16,22,26H,3-8H2,1-2H3
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7.20E+3n/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