BDBM50006932 CHEMBL3237245

SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(N(CC(O)=O)S(=O)(=O)c2ccc(OC)cc2)c2ccccc12

InChI Key InChIKey=KWSIQJUNYMMCTB-UHFFFAOYSA-N

Data  1 KI  14 IC50  6 Kd  2 EC50

  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 23 hits for monomerid = 50006932   

TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataKi:  6.10nMAssay Description:Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measu...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataKd:  5.20nMAssay Description:Binding affinity to human KEAP1 by SPR direct binding assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  31nMAssay Description:Inhibition of Keap1 Kelch domain-Nrf2 ETGE (unknown origin) protein-protein interaction incubated for 30 mins by fluorescence polarization competitio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  20nMAssay 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 DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  230nMAssay Description:Binding affinity to His-tagged Keap1 DC domain (321 to 609 residues) (unknown origin) expressed in Escherichia coli assessed as reduction in protein ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  25nMAssay 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 DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataKd:  20nMAssay Description:Binding affinity to Keap1 Kelch domain (unknown origin) by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  29nMAssay Description:Inhibition of Keap1/Nrf2 complex (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataEC50:  5.90E+3nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabiliza...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataKd:  320nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  110nMAssay Description:Inhibition of FITC-LDEETGEFL-NH2 binding to recombinant human Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia Coli BL21(DE3)pLysS c...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  29nMAssay 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
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  110nMAssay Description:Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  24nMAssay Description:Inhibition of recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3)pLysS cells interaction with FITC-9m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  630nMAssay 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 DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  29nMAssay Description:Inhibition of His-tagged Keap1 kelch domain/Nrf2 (unknown origin) protein-protein interaction using FITC-LDEETGEFL-NH2 peptide as substrate preincuba...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  29nMAssay 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 DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataKd:  39nMAssay 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 DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataKd:  20nMAssay Description:Inhibition of Keap1-Nrf2 (unknown origin) protein-protein interaction by SPR assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  24nMAssay Description:Inhibition of Phosphodiesterase 2 from pig coronary arteryMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataIC50:  7.70nMAssay Description:Inhibition of human KEAP1 incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataKd:  3.60nMAssay Description:Binding affinity to biotinylated Keap1 DC domain (unknown origin) by biolayer interferometry assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University Of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)
Affinity DataEC50:  29nMAssay Description:Displacement of FITC-LDEETGEFL-NH2 from Keap1 Kelch domain (unknown origin) after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed