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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase' and Monomerid = 50104878   
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))
BDBM50104878
PNG
(7-(6-Amino-hexyloxy)-3-(4-hydroxy-phenyl)-chromen-...)
Show SMILES NCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C21H23NO4/c22-11-3-1-2-4-12-25-17-9-10-18-20(13-17)26-14-19(21(18)24)15-5-7-16(23)8-6-15/h5-10,13-14,23H,1-4,11-12,22H2
PDB
MMDB

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Article
PubMed
n/an/a 100n/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