BDBM50521638 CHEMBL4436743

SMILES Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl

InChI Key InChIKey=LCHKWRPFWJXZAW-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50521638   

TargetKelch-like ECH-associated protein 1(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50521638(CHEMBL4436743)
Affinity DataIC50: 4.70E+4nMAssay Description:Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)