BDBM50658380 BROMOXYNIL

SMILES c1c(cc(c(c1Br)O)Br)C#N

InChI Key InChIKey=UPMXNNIRAGDFEH-UHFFFAOYSA-N

Data  1 KI  2 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 = 50658380   

TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658380BDBM50658380(BROMOXYNIL)
Affinity DataKd:  77nMAssay Description:Binding affinity to wildtype TTR (unknown origin) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
University of Toyama

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658380BDBM50658380(BROMOXYNIL)
Affinity DataKi:  2.60E+3nMAssay Description:Inhibition of acid-mediated TTR V30M mutant (unknown origin) aggregation preincubated for 30 mins followed by sodium acetate buffer at pH 5.2 additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetThyroid hormone receptor beta(Human)
University of Toyama

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50658380BDBM50658380(BROMOXYNIL)
Affinity DataKd:  1.90E+5nMAssay Description:Binding affinity to human thyroid hormone-beta receptor assessed as apparent dissociation constant by tryptophan fluorescence quenching assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed