BDBM50422268 GLUTATHIONE::GSH

SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O

InChI Key InChIKey=RWSXRVCMGQZWBV-WDSKDSINSA-N

Data  1 KI  3 IC50  3 Kd

PDB links: 452 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50422268   

TargetLactoylglutathione lyase(Homo sapiens (Human))
Uniroyal Chemical Co., Inc.

Curated by ChEMBL
LigandPNGBDBM50422268(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Affinity DataKi:  9.55E+5nMAssay Description:Inhibition constant of compound against binding of Yeast Glyoxalase IMore data for this Ligand-Target Pair
TargetHeme-binding protein A(Haemophilus parasuis)
Ghent University

LigandPNGBDBM50422268(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Affinity DataKd:  1.90E+3nMpH: 7.4 T: 2°CAssay Description:Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...More data for this Ligand-Target Pair
TargetHbpA(Pasteurella multocida)
Ghent University

LigandPNGBDBM50422268(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Affinity DataKd:  260nMpH: 7.4 T: 2°CAssay Description:Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
Radboud University

Curated by ChEMBL
LigandPNGBDBM50422268(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT1(Homo sapiens (Human))
Radboud University

Curated by ChEMBL
LigandPNGBDBM50422268(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...More data for this Ligand-Target Pair
TargetHeme-binding protein A(Actinobacillus pleuropneumoniae)
Ghent University

LigandPNGBDBM50422268(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Affinity DataKd:  1.58E+3nMpH: 7.4 T: 2°CAssay Description:Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...More data for this Ligand-Target Pair
TargetGlutathione S-transferase kappa 1(Homo sapiens (Human))
Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL
LigandPNGBDBM50422268(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
Affinity DataIC50: 20nMAssay Description:Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.More data for this Ligand-Target Pair