BDBM50620814 CHEMBL5408344

SMILES COc1cc(cc(c1O)[N+](=O)[O-])C(=O)c2cc(cc(c2)F)O

InChI Key InChIKey=LHCGDAFIWWCKGM-UHFFFAOYSA-N

Data  3 Kd

PDB links: 3 PDB IDs match 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 = 50620814   

TargetTransthyretin(Human)
Autonomous University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50620814(CHEMBL5408344)
Affinity DataKd:  16nMAssay Description:Binding affinity to wild-type TTR (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
Autonomous University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50620814(CHEMBL5408344)
Affinity DataKd:  36nMAssay Description:Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
Autonomous University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50620814(CHEMBL5408344)
Affinity DataKd:  14nMAssay Description:Binding affinity to TTR V122I mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)