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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 205.1
BDBM50065934

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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 1A1


(Rattus norvegicus)
BDBM50065934
PNG
(2,2,2-Trifluoro-N-hydroxy-N-phenyl-acetamide | CHE...)
Show SMILES ON(C(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C8H6F3NO2/c9-8(10,11)7(13)12(14)6-4-2-1-3-5-6/h1-5,14H
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair