BDBM50283797 CHEMBL4169002

SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@]([H])(NC(=O)[C@H](CCC(O)=O)NC2=O)[C@@H](C)O

InChI Key InChIKey=ZDUXQRUQCLUZNW-UHFFFAOYSA-N

Data  2 IC50  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50283797   

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

Curated by ChEMBL
LigandPNGBDBM50283797(CHEMBL4169002)
Affinity DataIC50: 18nMAssay Description:Inhibition of FITC-labeled Nrf2 binding to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) after 30 mins by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2020
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50283797(CHEMBL4169002)
Affinity DataKd:  18nMAssay Description:Binding affinity to human Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2020
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50283797(CHEMBL4169002)
Affinity DataKd:  6.20nMAssay Description:Binding affinity to human biotin-labeled Keap1 Kelch domain (322 to 609 residues) expressed in Escherichia coli (DE3) by biolayer interferometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2020
Entry Details Article
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50283797(CHEMBL4169002)
Affinity DataKd:  56nMAssay Description:Binding affinity to human KEAP1 by isothermal titration calorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetKelch-like ECH-associated protein 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50283797(CHEMBL4169002)
Affinity DataIC50: 31nMAssay Description:Inhibition of human Keap1-Nrf2 protein-protein interaction by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed