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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 196.2
BDBM50016878

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Lactoylglutathione lyase


(Homo sapiens (Human))
BDBM50016878
PNG
(CHEMBL3277441)
Show SMILES CC(O)C(=O)SCc1ccccc1
Show InChI InChI=1S/C10H12O2S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of glyoxalase-1 (unknown origin) using methylglyoxal and glutathione as substrate by Lineweaver-Burk plot analysis


J Med Chem 20: 1239-42 (1977)


BindingDB Entry DOI: 10.7270/Q21G0NTC
More data for this
Ligand-Target Pair