BDBM50108877 (3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone::(3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone::CHEMBL1324::Ro-40-7592::TOLCAPONE::Talcapone::Tasmar

SMILES Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-]

InChI Key InChIKey=MIQPIUSUKVNLNT-UHFFFAOYSA-N

Data  30 IC50  9 Kd  1 EC50

PDB links: 10 PDB IDs match 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 11 hits for monomerid = 50108877   

TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibitory activity against COMT in rat brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 930nMAssay Description:Inhibitory activity against COMT in rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 53nMAssay Description:Inhibition of S-COMT in rat liver homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 17nMAssay Description:Inhibition of MB-COMT in rat liver homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 3nMAssay Description:Inhibition of MB-COMT in rat brain homogenates using adrenaline as substrate and SAM as cofactor preincubated for 20 mins followed by substrate addit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of rat COMTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 0.910nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 31nMAssay Description:Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 0.912nMAssay Description:Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 9.27E+5nMAssay Description:Inhibition of Catechol O-methyltransferase activity in rat liverMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCatechol O-methyltransferase(Rat)
Department of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of Catechol O-methyltransferase activity in rat brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)