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

SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c1ccccc1F

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
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 138363   

TargetTransthyretin(Homo sapiens (Human))
The Board of Trustees of The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US10278929, Compound Ro-41-0960 | US11337935, Comp...)
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
TargetTransthyretin(Homo sapiens (Human))
The Board of Trustees of The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US10278929, Compound Ro-41-0960 | US11337935, Comp...)
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
TargetTransthyretin(Homo sapiens (Human))
The Board of Trustees of The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US10278929, Compound Ro-41-0960 | US11337935, Comp...)
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
TargetTransthyretin(Homo sapiens (Human))
The Board of Trustees of The Leland Stanford Junior University

US Patent
LigandPNGBDBM138363(US10278929, Compound Ro-41-0960 | US11337935, Comp...)
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 ...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 138363   

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

US Patent
SyringePNGBDBM138363(US10278929, Compound Ro-41-0960 | US11337935, Comp...)
ITC DataΔG°: -9.17kcal/mole −TΔS°: 4.27kcal/mole ΔH°: -13.5kcal/mole logk: 5.34E+6
pH: 7.5 T: 25.00°C