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)c1cc(O)c(O)c(c1)[N+]([O-])=O

InChI Key InChIKey=MIQPIUSUKVNLNT-UHFFFAOYSA-N

Data  27 IC50  6 Kd  1 EC50

PDB links: 9 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50108877   

TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataKd:  980nMAssay Description:Binding affinity to TTR V3OM mutant (unknown origin) expressed in Escherichia coli incubated for 60 mins by tryptophan intrinsic fluorescence methodMore data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataIC50:  3.20E+3nMAssay Description:Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio incubated for 1 week by absorbance m...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataIC50:  3.00E+4nMAssay Description:Stabilization of wild type TTR (unknown origin) expressed in Escherichia coli assessed as reduction in methanol-induced aggregation incubated for 60 ...More data for this Ligand-Target Pair
TargetTransthyretin(Homo sapiens (Human))
University Of Toyama

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataKd:  95nMAssay Description:Binding affinity to TTR V30M mutant (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair