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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase 1, mitochondrial' and Ligand = 'BDBM50250902'   
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 1, mitochondrial


(Saccharomyces cerevisiae)
BDBM50250902
PNG
((E)-ethyl 8-oxohexadec-9-enoate | CHEMBL450378)
Show SMILES CCCCCCC=CC(=O)CCCCCCC(=O)OCC
Show InChI InChI=1S/C18H32O3/c1-3-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21-4-2/h11,14H,3-10,12-13,15-16H2,1-2H3/b14-11+
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+5n/an/an/an/an/an/a



Shizuoka University

Curated by ChEMBL


Assay Description
Inhibition of yeast aldehyde dehydrogenase by electrospray ionization-mass spectroscopy


J Nat Prod 65: 1712-4 (2002)


Article DOI: 10.1021/np020200j
BindingDB Entry DOI: 10.7270/Q21N80XM
More data for this
Ligand-Target Pair