BDBM561983 BDBM50369389::US11396496, Compound A1

SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1cnc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12

InChI Key InChIKey=SDNGUWKKARNBMG-UHFFFAOYSA-N

Data  6 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 561983   

TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataKd:  102nMAssay Description:Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataIC50: 60nMAssay Description:Inhibition of Keap1 Kelch domain (unknown origin) /Nrf2 (unknown origin) interaction using fluorescein-labeled 9-mer peptide containing NRF2 Neh2 dom...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataIC50: 63nMAssay Description:Inhibition of Keap1-Nrf2 Interaction (unknown origin) by fluorescence anisotropyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataIC50: 60nMAssay Description:Inhibition of FITC-9mer Nrf2 peptide interaction with human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 ce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataIC50: 63nMAssay Description:The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2022
Entry Details
Go to US Patent

TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataIC50: 60nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction expressed in Escherichia coli BL21 codon plus cells using FITC-beta-DEETGEF-OH ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataKd:  102nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM561983(US11396496, Compound A1 | BDBM50369389)
Affinity DataIC50: 60nMAssay Description:Inhibition of Keap1 kelch domain to Nrf2 (unknown origin) protein-protein interactionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed