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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, mitochondrial' and Ligand = 'BDBM50104894'   
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, mitochondrial


(Homo sapiens (Human))
BDBM50104894
PNG
(5-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES CCOC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C22H22O6/c1-2-26-21(24)5-3-4-12-27-17-10-11-18-20(13-17)28-14-19(22(18)25)15-6-8-16(23)9-7-15/h6-11,13-14,23H,2-5,12H2,1H3
PDB
MMDB

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PubMed
n/an/a 240n/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)


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