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PDB code 3QJ5

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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
S-nitrosoglutathione reductase (GSNOR)

  (373/373 = 100%)
(Homo sapiens (Human))
BDBM50354475
PNG
(CHEMBL1738699)
Show SMILES Cc1cc(ccc1-n1c(CCC(O)=O)ccc1-c1ccc(cc1)-n1ccnc1)C(N)=O
Show InChI InChI=1S/C24H22N4O3/c1-16-14-18(24(25)31)4-9-21(16)28-20(8-11-23(29)30)7-10-22(28)17-2-5-19(6-3-17)27-13-12-26-15-27/h2-7,9-10,12-15H,8,11H2,1H3,(H2,25,31)(H,29,30)
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Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human GSNOR assessed as reduction in NADH consumption after 3 mins by spectrophotometric analysis


Bioorg Med Chem Lett 28: 3766-3773 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.012
BindingDB Entry DOI: 10.7270/Q21G0PZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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