BDBM562004 BDBM50538484::US11396496, Compound C12

SMILES COc1ccc(cc1)S(=O)(=O)N(CC(O)=O)c1ccc(CCC(O)=O)c2ccccc12

InChI Key InChIKey=PYWHLXAIQCJQKR-UHFFFAOYSA-N

Data  2 IC50

  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 = 562004   

TargetKelch-like ECH-associated protein 1(Human)
University of Illinois At Chicago

Curated by ChEMBL
LigandPNGBDBM562004(US11396496, Compound C12 | BDBM50538484)
Affinity DataIC50: 9.30E+3nMAssay Description:Inhibition of FITC-9mer Nrf2 peptide binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
LigandPNGBDBM562004(US11396496, Compound C12 | BDBM50538484)
Affinity DataIC50: 5.60E+3nMAssay Description:The IC50 of the compounds for inhibiting the interaction of a fluorescent NRF2 peptide and the Kelch domain of KEAP1 was determined using fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2022
Entry Details
Go to US Patent