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 2 hits for monomerid = 50108877   

TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibitory activity against COMT in rat brainMore data for this Ligand-Target Pair
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Department Of Research & Development

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataIC50:  930nMAssay Description:Inhibitory activity against COMT in rat liverMore data for this Ligand-Target Pair