null
SMILES: Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
InChI Key: InChIKey=VDCDWNDTNSWDFJ-UHFFFAOYSA-N
PDB links: 9 PDB IDs match this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Transthyretin (Homo sapiens (Human)) | BDBM50017846 (3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 741 | n/a | n/a | n/a | n/a | n/a | n/a |
The Board of Trustees of the Leland Stanford Junior University US Patent | Assay 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 ... | US Patent US8877795 (2014) BindingDB Entry DOI: 10.7270/Q2HT2N1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM50017846 (3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 741 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay 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... | Citation and Details BindingDB Entry DOI: 10.7270/Q2J67M4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transthyretin (Homo sapiens (Human)) | BDBM50017846 (3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 741 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck | Assay 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 ... | Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2H70J43 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Catechol O-methyltransferase (Rattus norvegicus (Rat)) | BDBM50017846 (3,5-DINITROCATECHOL | 3,5-Dinitro-benzene-1,2-diol...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Orion Corporation Ltd. Curated by ChEMBL | Assay Description In vitro inhibitory activity against catechol O-methyltransferase of rat brain using 3,4-dihydroxybenzoic acid as the substrate. | J Med Chem 32: 841-6 (1989) BindingDB Entry DOI: 10.7270/Q2GF0SHP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |