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.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50108877   

TargetTransthyretin(Human)
Autonomous University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataKd:  48nMAssay Description:Binding affinity to wild-type TTR (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
Autonomous University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataKd:  440nMAssay Description:Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTransthyretin(Human)
Autonomous University of Barcelona

Curated by ChEMBL
LigandPNGBDBM50108877(CHEMBL1324 | Tasmar | Ro-40-7592 | (3,4-dihydroxy-...)
Affinity DataKd:  50nMAssay Description:Binding affinity to TTR V122I mutant (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as dissociation constant by ITC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMedPDB3D3D Structure (crystal)