BDBM50540618 CHEMBL4648717

SMILES c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO

InChI Key InChIKey=XWMQKSXJPOIISN-UHFFFAOYSA-N

Data  2 IC50

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 2 hits for monomerid = 50540618   

TargetKelch-like ECH-associated protein 1(Human)
Irbm

Curated by ChEMBL
LigandPNGBDBM50540618(CHEMBL4648717)
Affinity DataIC50: 2.55E+3nMAssay Description:Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEAP1 Kelch domain (322 to 609 residues) expressed in Escherichia coli B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKelch-like ECH-associated protein 1(Human)
Irbm

Curated by ChEMBL
LigandPNGBDBM50540618(CHEMBL4648717)
Affinity DataIC50: 2.50E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)