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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-IOMOGOHMNA-N

Data: 1 KI  3 IC50  3 Kd

PDB links: 404 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50422268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glyoxalase I


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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KEGG
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PC sid
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Article
PubMed
9.55E+5n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant of compound against binding of Yeast Glyoxalase I


J Med Chem 31: 1396-406 (1988)


Article DOI: 10.1021/jm00402a025
BindingDB Entry DOI: 10.7270/Q2P55QQJ
More data for this
Ligand-Target Pair
Glutathione-binding protein (GbpAHp)


(Haemophilus parasuis)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
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KEGG
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Article
PubMed
n/an/an/a 1.90E+3n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair
Glutathione-binding protein (GbpAPm)


(Pasteurella multocida)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
UniProtKB/TrEMBL

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Article
PubMed
n/an/an/a 260n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)

More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a>1.00E+5n/an/an/an/an/an/a



Radboud University

Curated by ChEMBL


Assay Description
Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...


Bioorg Med Chem Lett 28: 1234-1238 (2018)

More data for this
Ligand-Target Pair
Glutathione-binding protein (GbpAAp)


(Actinobacillus pleuropneumoniae)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
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Article
PubMed
n/an/an/a 1.58E+3n/an/an/a7.437



Ghent University



Assay Description
Experiments were carried out using a VP-ITC MicroCalorimeter (MicroCal) at 37C, and data were analyzed using the Origen ITC analysis software packag...


BMC Biochem 12: 59 (2011)


Article DOI: 10.1186/1471-2091-12-59
BindingDB Entry DOI: 10.7270/Q2B27T57
More data for this
Ligand-Target Pair
Glutathione S-transferase kappa 1


(Homo sapiens (Human))
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1/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-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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DrugBank
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


J Med Chem 41: 2278-88 (1998)


Article DOI: 10.1021/jm970518m
BindingDB Entry DOI: 10.7270/Q2154G56
More data for this
Ligand-Target Pair