BDBM50547100 CHEMBL4739983

SMILES COc1ccc(cc1)S(=O)(=O)NC(=O)CN(c1cccc2N(CCc12)C(C(=O)NS(=O)(=O)c1ccc(C)cc1OC)c1cccc(OC)c1)S(=O)(=O)c1ccc(OC)cc1

InChI Key InChIKey=JTDWZQZKKFDOFM-UHFFFAOYSA-N

Data  2 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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50547100   

TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547100BDBM50547100(CHEMBL4739983)
Affinity DataIC50: 22nMAssay 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
TargetNuclear factor erythroid 2-related factor 2(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547100BDBM50547100(CHEMBL4739983)
Affinity DataIC50: 22nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547100BDBM50547100(CHEMBL4739983)
Affinity DataIC50: 22nMAssay 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
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547100BDBM50547100(CHEMBL4739983)
Affinity DataKd:  26nMAssay Description:Binding affinity to biotinylated human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 by biolayer interferome...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547100BDBM50547100(CHEMBL4739983)
Affinity DataKd:  58nMAssay Description:Binding affinity to human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 assessed as dissociation constant by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetNuclear factor erythroid 2-related factor 2(Human)
Peking Union Medical College and Chinese Academy of Medical Sciences

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50547100BDBM50547100(CHEMBL4739983)
Affinity DataKd:  58nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2026
Entry Details PubMed