BDBM5566 2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidine::6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine::NU6027::pyrimidine deriv.

SMILES C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O

InChI Key InChIKey=DGWXOLHKVGDQLN-UHFFFAOYSA-N

Data  4 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

  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 12 hits for monomerid = 5566   

TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
University of Newcastle

LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 2.90E+3nMpH: 7.5 T: 2°CAssay Description:The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2005
Entry Details Article
PubMed
TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Human)
University of Newcastle

LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 2.20E+3nMpH: 7.5 T: 2°CAssay Description:The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2005
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
University of Newcastle

LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 2.90E+3nMpH: 7.5 T: 2°CAssay Description:The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2005
Entry Details Article
PubMed
TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Human)
University of Newcastle

LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 2.20E+3nMpH: 7.5 T: 2°CAssay Description:The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2005
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase ATR(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 6.70E+3nMAssay Description:Inhibition of flag-tagged ATR expressed in HEK293T cells using PHAS-1 as substrate after 20 mins by autoradiographyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
University of Turin

Curated by ChEMBL
LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition of CDK1/Cyclin B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of CDK2/cyclinA (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PDB3D3D Structure (crystal)
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
University of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human CDK2/Cyclin A expressed in baculovirus infected Sf9 insect cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Human)
University of Newcastle

LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataKi:  1.30E+3nM ΔG°:  -8.16kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2005
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
Instituto Universitario De Bio-Org£Nica Antonio Gonz£Lez (Iubo-Ag)

Curated by ChEMBL
LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
University of Newcastle

LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataKi:  2.50E+3nM ΔG°:  -7.77kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2005
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Instituto Universitario De Bio-Org£Nica Antonio Gonz£Lez (Iubo-Ag)

Curated by ChEMBL
LigandPNGBDBM5566(6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diam...)
Affinity DataKi:  2.50E+3nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed