BDBM50614981 CHEMBL5284493

SMILES Cc1ccc(cc1)[C@H]([C@@H](C)C(=O)O)NC(=O)[C@H](c2ccc3c(c2)CCCC3)F

InChI Key InChIKey=MQNFGUOKPYSZBX-UHFFFAOYSA-N

Data  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50614981   

TargetKelch-like ECH-associated protein 1(Human)
Japan Tobacco

Curated by ChEMBL
LigandPNGBDBM50614981(CHEMBL5284493)
Affinity DataIC50: 89nMAssay Description:Inhibition of Nrf2-Keap1 Kelch domain (unknown origin) protein-protein interaction in presence of biotin labeled 16mer ETGE peptide AFFAQLQLDEETGEFLMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNuclear factor erythroid 2-related factor 2(Human)
Japan Tobacco

Curated by ChEMBL
LigandPNGBDBM50614981(CHEMBL5284493)
Affinity DataIC50: 260nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetKelch-like ECH-associated protein 1(Human)
Japan Tobacco

Curated by ChEMBL
LigandPNGBDBM50614981(CHEMBL5284493)
Affinity DataKd:  130nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)