BDBM50019333 CHEMBL3289432

SMILES Cc1nc(C)c(s1)-c1cc[nH]n1

InChI Key InChIKey=XZLKZEOPTRHRHG-UHFFFAOYSA-N

Data  1 KI  1 IC50  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 3 hits for monomerid = 50019333   

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

Curated by ChEMBL
LigandPNGBDBM50019333(CHEMBL3289432)
Affinity DataKi:  7.90E+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
TargetLanosterol synthase(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50019333(CHEMBL3289432)
Affinity DataIC50:  1.60E+4nMAssay Description:Inhibition of recombinant wild-type human COMT expressed in Escherichia coli BL21 using 4-nitrocatechol-Alexa488 as substrate in presence of cofactor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCatechol O-methyltransferase(Homo sapiens (Human))
Takeda California

Curated by ChEMBL
LigandPNGBDBM50019333(CHEMBL3289432)
Affinity DataKd:  2.51E+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