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BDBM16241 2,3-dihydroxypropanal::D,L-glyceraldehyde::Glycerinformal::Glycerose

SMILES: OCC(O)C=O

InChI Key: InChIKey=MNQZXJOMYWMBOU-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 6 PDB IDs match this monomer.

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16241   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM16241
PNG
(2,3-dihydroxypropanal | D,L-glyceraldehyde | Glyce...)
Show SMILES OCC(O)C=O
Show InChI InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of glyceraldehyde reduction activity of human AKR1B1


Proc Natl Acad Sci USA 104: 20764-9 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)