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PDB code 2IKH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Aldose reductase (AR)

  (315/316 > 99%)
(Homo sapiens (Human))
BDBM16235
PNG
(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
Show SMILES OC(=O)CSc1nnc(o1)-c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 4.10E+3n/an/an/an/a6.225



University of Marburg



Assay Description
The in vitro inhibitory activity of the candidate molecules was determined by recording the decrease of the NADPH absorbance upon enzymatic reduction...


J Mol Biol 368: 618-38 (2007)

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

Identical Ligands in BindingDB

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Aldose reductase (AR)  (315/316 > 99%)

(Homo sapiens (Human))
BDBM16235
JPEG
(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-31.3-22.6-8.705.49824.9



University of Marburg





J Mol Biol 368: 618-38 (2007)


Similar Ligands in BindingDB*

Found 1 hit Isothermal Titration Calorimetry Data
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
Aldose reductase (AR)  (315/316 > 99%)

(Homo sapiens (Human))
BDBM16235
JPEG
(2-{[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sul...)
GoogleScholar
PDB
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-31.3-22.6-8.705.49824.9



University of Marburg





J Mol Biol 368: 618-38 (2007)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output