BDBM50004044 3-Hydroxy-4-methoxy-5-nitro-benzaldehyde::CHEMBL89320

SMILES COc1c(O)cc(C=O)cc1[N+]([O-])=O

InChI Key InChIKey=PYLFOUFNUBQBGP-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50004044   

TargetCatechol O-methyltransferase(Pig)
Instituto De QuíMica OrgáNica General (Csic)

Curated by ChEMBL
LigandPNGBDBM50004044(CHEMBL89320 | 3-Hydroxy-4-methoxy-5-nitro-benzalde...)
Affinity DataIC50: 3.40E+4nMAssay Description:In vitro inhibition of Catechol-O-methyltransferase (COMT) from isolated partially purified pig liver enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCatechol O-methyltransferase(Pig)
Instituto De QuíMica OrgáNica General (Csic)

Curated by ChEMBL
LigandPNGBDBM50004044(CHEMBL89320 | 3-Hydroxy-4-methoxy-5-nitro-benzalde...)
Affinity DataKi:  1.35E+4nMAssay Description:Compound was evaluated for reversible inhibition of Catechol O-methyltransferase with variable AdoMet and saturating catechol as substrate (mixed inh...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCatechol O-methyltransferase(Pig)
Instituto De QuíMica OrgáNica General (Csic)

Curated by ChEMBL
LigandPNGBDBM50004044(CHEMBL89320 | 3-Hydroxy-4-methoxy-5-nitro-benzalde...)
Affinity DataKi:  1.72E+4nMAssay Description:Compound was evaluated for reversible inhibition of Catechol O-methyltransferase with saturating AdoMet and variable catechol as substrate (Non-compe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed