BDBM50593788 CHEMBL5172581

SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2ccc(c(c2)OCc3ccccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC

InChI Key InChIKey=WLXLBNHWWYEQCG-UHFFFAOYSA-N

Data  2 IC50  1 Kd

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 3 hits for monomerid = 50593788   

TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50593788(CHEMBL5172581)
Affinity DataIC50: 790nMAssay Description:Inhibition of recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells/Nrf2 (unknown origin) pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50593788(CHEMBL5172581)
Affinity DataIC50: 575nMAssay 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)
The State University of New Jersey

Curated by ChEMBL
LigandPNGBDBM50593788(CHEMBL5172581)
Affinity DataKd:  429nMAssay Description:Binding affinity to Keap1 (unknown origin) expressed in Escherichia coli BL21 codon plus cells by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)