null

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

  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)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q20R9SSFPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataKd:  5.20nMMore data for this Ligand-Target Pair
In DepthDetails
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2CR5W5HPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q25B04BRPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2T15634PubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2G163CRPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2G163CRPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataIC50: 29nMAssay Description:Inhibition of Keap1/Nrf2 complex (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20V8GSCPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q20R9SSFPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q20R9SSFPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q22Z193BPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2VD7329PubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2SJ1QDQPubMed
TargetNuclear factor erythroid 2-related factor 2(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2SJ1QDQPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataIC50: 630nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F193RHPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataIC50: 29nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F193RHPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataIC50: 29nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T157QMPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataKd:  39nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T157QMPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataKd:  20nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T157QMPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

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

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
Affinity DataIC50: 7.70nMMore data for this Ligand-Target Pair
In DepthDetails
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2X3500XPubMed
TargetKelch-like ECH-associated protein 1(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50006932(CHEMBL3237245)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2X3500XPubMed