BDBM50109398 CHEMBL2381968

SMILES c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O

InChI Key InChIKey=LNENLABLFGGAFF-UHFFFAOYSA-N

Data  1 KI  5 IC50  4 Kd  4 EC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50109398   

TargetNuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/16/2016
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataEC50:  2.30E+3nMAssay Description:Inhibition of Keap1 (unknown origin) interaction to Nrf2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2016
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of Keap1 kelch domain (unknow origin)/Nrf2-ETGE peptide (unknown origin) interaction by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to Keap1 kelch domain (unknown origin) by competitive SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataEC50:  1.20E+4nMAssay Description:Inhibition of Keap1-Nrf2 interaction in human U2OS cells assessed as Nrf2 nuclear translocation by beta-lactamase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataEC50:  1.80E+4nMAssay Description:Inhibition of Keap1-Nrf2 interaction in human HepG2 cells expressing ARE-bla assessed as activation of antioxidant response element by beta-lactamase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataEC50:  2.60E+4nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabiliza...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataKd:  2.40E+3nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataIC50: 792nMAssay Description:Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEAP1 Kelch domain (322 to 609 residues) expressed in Escherichia coli B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataKd:  1.90E+3nMAssay Description:Binding affinity to KEAP1 interaction with Nrf2 (unknown origin) by SRP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataIC50: 710nMAssay Description:Inhibition of Nrf2-Keap1 Kelch domain (unknown origin) protein-protein interaction in presence of biotin labeled 16mer ETGE peptide AFFAQLQLDEETGEFLMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human KEAP1 incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataKd:  753nMAssay Description:Binding affinity to human KEAP1 by SPR direct binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50109398(CHEMBL2381968)
Affinity DataKi:  560nMAssay Description:Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)