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.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50017846   

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...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H	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...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H	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...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H	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...) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H	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)