BDBM50019330 CHEMBL3289429

SMILES Cc1nc(c(s1)-c1nc[nH]n1)C(F)(F)F

InChI Key InChIKey=WGGLFBHKWDZGCX-UHFFFAOYSA-N

Data  1 KI  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50019330   

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

Curated by ChEMBL
LigandPNGBDBM50019330(CHEMBL3289429)
Affinity DataKi:  2.51E+5nMAssay 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(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019330(CHEMBL3289429)
Affinity DataKd:  2.51E+5nMAssay 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