BDBM50580279 CHEMBL5077827

SMILES Nc1nc(NCCc2ccc(\C=C\C(=O)NO)cc2)nc2nc(nn12)-c1ccco1

InChI Key InChIKey=TXCRAGVUXHGLPS-UHFFFAOYSA-N

Data  1 KI  2 IC50

  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 = 50580279   

TargetHistone deacetylase 1(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580279(CHEMBL5077827)
Affinity DataIC50: 10nMAssay Description:Inhibition of HDAC1 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580279(CHEMBL5077827)
Affinity DataKi:  38nMAssay Description:Displacement of [3H]SCH58261 from adenosine A2A receptor membrane (unknown origin) measured after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Shanghaitech University

Curated by ChEMBL
LigandPNGBDBM50580279(CHEMBL5077827)
Affinity DataIC50: 69nMAssay Description:Inhibition of HDAC6 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed