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PubMed code 18087047

Compile data set for download or QSAR
Found 3 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
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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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 U S A 104: 20764-9 (2007)


Article DOI: 10.1073/pnas.0705659105
BindingDB Entry DOI: 10.7270/Q2H132VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of retinaldehyde reductase activity of human AKR1B10


Proc Natl Acad Sci U S A 104: 20764-9 (2007)


Article DOI: 10.1073/pnas.0705659105
BindingDB Entry DOI: 10.7270/Q2H132VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat AKR1B4


Proc Natl Acad Sci U S A 104: 20764-9 (2007)


Article DOI: 10.1073/pnas.0705659105
BindingDB Entry DOI: 10.7270/Q2H132VS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%