BDBM50516724 CHEMBL4588743

SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N2CCC[C@H]2C(O)=O)c2ccccc12

InChI Key InChIKey=XIIZECUWKNXLCU-QFIPXVFZSA-N

Data  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50516724   

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

Curated by ChEMBL
LigandPNGBDBM50516724(CHEMBL4588743)
Affinity DataKd:  29nMAssay Description:Binding affinity to biotinylated human KEAP1 Kelch domain (322 to 609 residues) by biolayer interferometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50516724(CHEMBL4588743)
Affinity DataIC50:  43nMAssay 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 DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50516724(CHEMBL4588743)
Affinity DataKd:  54nMAssay Description:Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) by isothermal titration calorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50516724(CHEMBL4588743)
Affinity DataIC50:  43nMAssay Description:Displacement of FITC-LDEETGEFL-NH2 from human KEAP1 Kelch domain (322 to 609 residues) measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed