BDBM50261491 CHEMBL467591::N2-(3-(trifluoromethyl)benzyl)-N6-(4-nitrobenzyl)-9H-purine-2,6-diamine

SMILES [O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3nc[nH]c23)cc1

InChI Key InChIKey=DDSBPUYZPWNNGH-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50261491   

TargetCyclin-dependent kinase 1(Human)
National Cancer Institute-Frederick

Curated by ChEMBL
LigandPNGBDBM50261491(N2-(3-(trifluoromethyl)benzyl)-N6-(4-nitrobenzyl)-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Cdk1/cyclin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetInositol hexakisphosphate kinase 1(Human)
Johns Hopkins University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50261491(N2-(3-(trifluoromethyl)benzyl)-N6-(4-nitrobenzyl)-...)
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of IP6K1 (unknown origin) incubated for 30 mins using IP6 as substrate in presence of ATP by ADP-Glo reagent based luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetInositol hexakisphosphate kinase 1(Human)
Johns Hopkins University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50261491(N2-(3-(trifluoromethyl)benzyl)-N6-(4-nitrobenzyl)-...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of N-terminal 6His-MBP-tagged recombinant human IP6K1 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 2(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50261491(N2-(3-(trifluoromethyl)benzyl)-N6-(4-nitrobenzyl)-...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of N-terminal 6His-tagged/TEV cleavage site fused recombinant human IP6K2 expressed in Escherichia coli assessed as inorganic phosphate re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 3(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50261491(N2-(3-(trifluoromethyl)benzyl)-N6-(4-nitrobenzyl)-...)
Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of N-terminal 6His-sumo-tagged recombinant human IP6K3 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed