BDBM50019329 CHEMBL1089318

SMILES Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(n1)-c1cc(O)c(O)c(c1)[N+]([O-])=O

InChI Key InChIKey=ASOADIZOVZTJSR-UHFFFAOYSA-N

Data  3 KI

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50019329   

TargetCatechol O-methyltransferase(Human)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019329(CHEMBL1089318)
Affinity DataKi:  1nMAssay Description:Inhibition of catalytic activity of human cloned COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liq...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCatechol O-methyltransferase(Rat)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019329(CHEMBL1089318)
Affinity DataKi:  1.5nMAssay Description:Inhibition of catalytic activity of rat COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid scint...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCatechol O-methyltransferase(Mouse)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019329(CHEMBL1089318)
Affinity DataKi:  1.5nMAssay Description:Inhibition of catalytic activity of mouse COMT expressed in Escherichia coli using [3H]-S-adenosylmethionine as substrate after 20 mins by liquid sci...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)