BDBM13066 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid::CHEMBL139::Diclofenac::US11337935, Compound Diclofenac::US11478464, Compound Diclofenac::US11786535, Compound Diclofenac::{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid

SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

InChI Key InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N

Data  12 KI  83 IC50  3 Kd  3 EC50  1 ITC

PDB links: 20 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 13066   

TargetTransthyretin(Homo sapiens (Human))
Ume£

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysisMore data for this Ligand-Target Pair
TargetAlbumin(Homo sapiens (Human))
Molecular Discovery

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKd:  2.46E+3nMAssay Description:Binding affinity to human serum albumin by PAMPA methodMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
Ume£

Curated by ChEMBL
LigandPNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Affinity DataKd:  60nMAssay Description:Binding affinity to wild type TTR (unknown origin) expressed in Escherichia coli BL21/DE3 by Circular dichroism spectroscopyMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 13066   

CellTransthyretin(Homo sapiens (Human))
Leland Stanford Junior University

US Patent
SyringePNGBDBM13066(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
ITC DataΔG°: -8.79kcal/mole −TΔS°: -4.09kcal/mole ΔH°: -4.68kcal/mole logk: 2.80E+6
pH: 7.5 T: 25.00°C