BDBM50086214 CHEMBL3425744

SMILES OB(O)c1cn(cc(O)c1=O)-c1cccc(c1)-c1ccccc1

InChI Key InChIKey=RJVMGRMKRJSOAH-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50086214   

TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Merck Research Laboratories

Curated by ChEMBL

LigandBDBM50086214(CHEMBL3425744)Copy SMILESCopy InChI

Affinity DataIC50:  19nMAssay Description:Inhibition of recombinant rat membrane bound COMT expressed in Escherichia coli BL21-CodonPlus(DE3)-RIPL using dopamine/SAM as substrate/cofactor pre...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetCatechol O-methyltransferase(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL

LigandBDBM50086214(CHEMBL3425744)Copy SMILESCopy InChI

Affinity DataIC50:  200nMAssay Description:Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst...More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI