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PubMed code 20036445

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 reductase


(Sus scrofa)
BDBM50213307
PNG
(CHEMBL396176 | [(5Z)-5-{[3-(carboxymethoxy)-4-meth...)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O
Show InChI InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry


Eur J Med Chem 45: 1140-5 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.019
BindingDB Entry DOI: 10.7270/Q27081KV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldehyde reductase


(Sus scrofa)
BDBM50312535
PNG
(CHEMBL1076861 | [5-(3-hydroxy-4-methoxybenzylidene...)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1O
Show InChI InChI=1S/C13H11NO6S/c1-20-9-3-2-7(4-8(9)15)5-10-12(18)14(6-11(16)17)13(19)21-10/h2-5,15H,6H2,1H3,(H,16,17)/b10-5-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of pig ALR1 assessed as decrease in NADPH absorbance by spectrophotometry


Eur J Med Chem 45: 1140-5 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.019
BindingDB Entry DOI: 10.7270/Q27081KV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%