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Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase 3A1 (ALDH3A1)' and Ligand = 'BDBM50447060'   
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 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM50447060
PNG
(CHEMBL1607749 | US9328112, A62)
Show SMILES COc1ccc(cc1C)S(=O)(=O)n1c(C)nc2ccccc12
Show InChI InChI=1S/C16H16N2O3S/c1-11-10-13(8-9-16(11)21-3)22(19,20)18-12(2)17-14-6-4-5-7-15(14)18/h4-10H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysis


J Med Chem 57: 449-61 (2014)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM50447060
PNG
(CHEMBL1607749 | US9328112, A62)
Show SMILES COc1ccc(cc1C)S(=O)(=O)n1c(C)nc2ccccc12
Show InChI InChI=1S/C16H16N2O3S/c1-11-10-13(8-9-16(11)21-3)22(19,20)18-12(2)17-14-6-4-5-7-15(14)18/h4-10H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...


Citation and Details
More data for this
Ligand-Target Pair