BDBM50120422 CHEMBL3617852

SMILES COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC

InChI Key InChIKey=NVQFDGYHTTZFJR-UHFFFAOYSA-N

Data  2 IC50  1 Kd  1 EC50

PDB links: 2 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50120422   

TargetNuclear factor erythroid 2-related factor 2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50120422(CHEMBL3617852)
Affinity DataEC50:  29nMAssay 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
TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50120422(CHEMBL3617852)
Affinity DataIC50: 110nMAssay Description:Binding affinity to the Keap1 (321 to 609 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by surface plasmon resonance assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50120422(CHEMBL3617852)
Affinity DataIC50: 61nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM50120422(CHEMBL3617852)
Affinity DataKd:  110nMAssay 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
PubMedPDB3D3D Structure (crystal)