BDBM50017846 3,5-DINITROCATECHOL::3,5-Dinitro-benzene-1,2-diol::CHEMBL168276::US10278929, 3,5-dinitrocatecol::US11337935, 3,5-dinitrocatechol

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

InChI Key InChIKey=VDCDWNDTNSWDFJ-UHFFFAOYSA-N

Data  4 IC50

PDB links: 9 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 4 hits for monomerid = 50017846   

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

US Patent
LigandPNGBDBM50017846(3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...)
Affinity DataIC50:  741nMAssay 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 DepthDetails US Patent
TargetTransthyretin(Homo sapiens (Human))
The Board Of Trustees Of The Leland Stanford Junior University

US Patent
LigandPNGBDBM50017846(3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...)
Affinity DataIC50:  741nMAssay 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 DepthDetails US Patent
TargetTransthyretin(Homo sapiens (Human))
The Board Of Trustees Of The Leland Stanford Junior University

US Patent
LigandPNGBDBM50017846(3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...)
Affinity DataIC50:  741nMAssay 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
In DepthDetails US Patent
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Orion

Curated by ChEMBL
LigandPNGBDBM50017846(3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...)
Affinity DataIC50:  12nMAssay Description:In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate.More data for this Ligand-Target Pair