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

SMILES Nc1nc(N)c(N=O)c(OCC2CCCCC2)n1

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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 5566   

TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Homo sapiens (Human))
University Of Newcastle

LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Instituto Universitario De Bio-Org£Nica Antonio Gonz£Lez (Iubo-Ag)

Curated by ChEMBL
LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Instituto Universitario De Bio-Org£Nica Antonio Gonz£Lez (Iubo-Ag)

Curated by ChEMBL
LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
Affinity DataKi:  2.50E+3nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
University Of Newcastle

LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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 DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of CDK1/Cyclin B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of CDK2/cyclinA (unknown origin)More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
University Of South Australia Cancer Research Institute

Curated by ChEMBL
LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
University Of Newcastle

LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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 DepthDetails ArticlePubMed
TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Homo sapiens (Human))
University Of Newcastle

LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
University Of Newcastle

LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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 DepthDetails ArticlePubMed
TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Homo sapiens (Human))
University Of Newcastle

LigandPNGBDBM5566(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)
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