BDBM5485 6-(cyclohexylmethoxy)-9H-purin-2-amine::CHEMBL269881::NU2058

SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1

InChI Key InChIKey=MWGXGTJJAOZBNW-UHFFFAOYSA-N

Data  3 KI  7 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 5485   

TargetCyclin-dependent kinase 2(Homo sapiens (Human))
University Of Cambridge

Curated by ChEMBL
LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataKi:  1.20E+3nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
University Of Newcastle

LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.35kcal/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
TargetCyclin-A2 [171-432]/Cyclin-dependent kinase 2(Homo sapiens (Human))
University Of Newcastle

LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataKi:  1.20E+4nM ΔG°:  -6.82kcal/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 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
University Of Newcastle

LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataIC50:  7.00E+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

LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataIC50:  1.70E+4nMpH: 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
TargetMitogen-activated protein kinase kinase kinase 5(Homo sapiens (Human))
Pharmadesign

Curated by ChEMBL
LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataIC50:  2.51E+4nMAssay Description:Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMethylated-DNA--protein-cysteine methyltransferase(Homo sapiens (Human))
Newcastle University

Curated by ChEMBL
LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataIC50: >1.00E+6nMAssay Description:concentration required to reduce AGT activity to 50% of control rate in HT-29 cell extract.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Homo sapiens (Human))
University Of Zurich

Curated by ChEMBL
LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataIC50:  7.00E+3nMAssay Description:Inhibition of CDK1/Cyclin BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Marthasterias glacialis (starfish))
University Of Newcastle

LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataIC50:  7.00E+3nMAssay 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

LigandPNGBDBM5485(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Affinity DataIC50:  1.70E+4nMAssay 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