BDBM138363 US10278929, Compound Ro-41-0960::US11337935, Compound Ro-41-0960::US8877795, Ro 41-0960

SMILES c1ccc(c(c1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F

InChI Key InChIKey=RQPAUNZYTYHKHA-UHFFFAOYSA-N

Data  3 IC50  1 Kd  1 ITC

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 4 hits for monomerid = 138363   

TargetTransthyretin(Human)
The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US8877795, Ro 41-0960 | US10278929, Compound Ro-41...)
Affinity DataIC50: 755nMAssay Description:The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2015
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTransthyretin(Human)
The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US8877795, Ro 41-0960 | US10278929, Compound Ro-41...)
Affinity DataIC50: 755nMAssay Description:The FP assay was then adapted for HTS and used to screen a 120,000 member small molecule library for compounds that displaced the FP probe from the T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTransthyretin(Human)
The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US8877795, Ro 41-0960 | US10278929, Compound Ro-41...)
Affinity DataKd:  184nMAssay Description:Dissociation Constants (Kd) associated with the binding of ligands to TTR are expressed in nM. Thermodynamic Binding Parameters associated with ligan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetTransthyretin(Human)
The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US8877795, Ro 41-0960 | US10278929, Compound Ro-41...)
Affinity DataIC50: 755nMAssay Description:Table 3: The FP assay was then adapted for HTS and used to screen 120,000 small molecule library for compounds that displaced probe 5 from the T4 bin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 138363   

CellTransthyretin(Human)
Leland Stanford Junior University

US Patent
SyringePNGBDBM138363(US8877795, Ro 41-0960 | US10278929, Compound Ro-41...)
ITC DataΔG°: -9.17kcal/mole −TΔS°: 4.27kcal/mole ΔH°: -13.5kcal/mole logk: 5.34E+6
pH: 7.5 T: 25.00°C