BDBM50519234 CHEMBL4440989

SMILES CCCCC1CCCN1C(=O)[C@@H]1CCC[C@@H](C1)c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1

InChI Key InChIKey=UHBPMQISVQNVGD-UHFFFAOYSA-N

Data  1 KI  2 IC50  2 Kd  1 EC50

  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 = 50519234   

TargetKelch-like ECH-associated protein 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50519234(CHEMBL4440989)
Affinity DataEC50:  1.00E+4nMAssay 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 Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50519234(CHEMBL4440989)
Affinity DataKd:  2.30nMAssay Description:Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50519234(CHEMBL4440989)
Affinity DataIC50: 63nMAssay Description:Inhibition of TAMRA-labeled AFFAQLQLDEETGEFL binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) measured after 1 hr by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50519234(CHEMBL4440989)
Affinity DataKd:  19nMAssay 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 Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50519234(CHEMBL4440989)
Affinity DataIC50: 63nMAssay Description:Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50519234(CHEMBL4440989)
Affinity DataKi:  13nMAssay 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 Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed