BDBM50019331 CHEMBL3289430

SMILES Cc1nn(C)cc1-c1cc[nH]n1

InChI Key InChIKey=LNJKDWJFZASOPC-UHFFFAOYSA-N

Data  3 KI  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50019331   

TargetCatechol O-methyltransferase(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019331(CHEMBL3289430)
Affinity DataKi:  6.30E+3nMAssay 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(Mus musculus)
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019331(CHEMBL3289430)
Affinity DataKi:  6.30E+4nMAssay 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
TargetCatechol O-methyltransferase(Rattus norvegicus (Rat))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019331(CHEMBL3289430)
Affinity DataKi:  1.58E+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
TargetCatechol O-methyltransferase(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019331(CHEMBL3289430)
Affinity DataKd:  3.16E+4nMAssay Description:Binding affinity to NHS-PEG4-Biotin-labeled human COMT after 1 hr by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed