BDBM50283796 CHEMBL4174405

SMILES CC(C)C[C@H](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)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(C)=O)[C@@H](C)O)C(O)=O

InChI Key InChIKey=LMBTUDWAYBYLFI-UHFFFAOYSA-N

Data  1 IC50  2 Kd

  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 3 hits for monomerid = 50283796   

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

Curated by ChEMBL
LigandPNGBDBM50283796(CHEMBL4174405)
Affinity DataKd:  21nMAssay 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
LigandPNGBDBM50283796(CHEMBL4174405)
Affinity DataIC50: 63nMAssay 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
LigandPNGBDBM50283796(CHEMBL4174405)
Affinity DataKd:  87nMAssay 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