BDBM50556867 CHEMBL4757224

SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C

InChI Key InChIKey=URYMNBQTISFUDY-UHFFFAOYSA-N

Data  5 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50556867   

TargetNuclear factor erythroid 2-related factor 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50556867(CHEMBL4757224)
Affinity DataKd:  4.10E+3nMAssay Description:Inhibition of Nrf2 peptide (KKKKAFFAQLQLDEETGEFL) binding to Keap1 Kelch domain (321 to 609 residues) (unknown origin) assessed as dissociation const...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50556867(CHEMBL4757224)
Affinity DataKd:  3.70E+3nMAssay Description:Binding affinity to Keap1 Kelch domain (321 to 609 residues) (unknown origin) assessed as dissociation constant by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50556867(CHEMBL4757224)
Affinity DataKd:  4.10E+3nMAssay Description:Binding affinity to Keap1 Kelch domain (321 to 609 residues) (unknown origin) by SPR based direct binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear factor erythroid 2-related factor 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50556867(CHEMBL4757224)
Affinity DataKd:  3.70E+3nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as dissociation constant by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50556867(CHEMBL4757224)
Affinity DataKd:  4.10E+3nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) interaction assessed as dissociation constant by surface plasmon resonance based inhibition-in-solution ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed