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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase' and Monomerid = 50104892   
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))
BDBM50104892
PNG
(8-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)oc...)
Show SMILES OC(=O)CCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C23H24O6/c24-17-9-7-16(8-10-17)20-15-29-21-14-18(11-12-19(21)23(20)27)28-13-5-3-1-2-4-6-22(25)26/h7-12,14-15,24H,1-6,13H2,(H,25,26)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 40n/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