BDBM50113739 2(bis-(hydroxyethyl)amino)-6-(4-methoxybenzylamino)-9-isopropyl-purine::2-(bis-(hydroxylethyl)amino)-6-(4-methoxybenzylamino)-9-isopropylpurine::2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-amino}-ethanol::CHEMBL80713

SMILES CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO

InChI Key InChIKey=NQVIIUBWMBHLOZ-UHFFFAOYSA-N

Data  9 IC50

PDB links: 3 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50113739   

LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 176nMAssay Description:Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 220nMAssay Description:Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 230nMAssay Description:Inhibition of his-tagged recombinant human PDE5A catalytic domain (E535 to Q860 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cGMP as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 5 activator 1(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 419nMAssay Description:Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 420nMAssay Description:Inhibition of his-tagged recombinant human PDE4D catalytic domain (T86 to S413 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cAMP as s...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 500nMAssay Description:Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin EMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article
PDB3D3D Structure (crystal)
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of full-length recombinant human PDE2A using [3H]-cGMP as substrate incubated for 10 mins by SPA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of full-length recombinant human PDE11A using [3H]-cAMP as substrate incubated for 10 mins by SPA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of full-length recombinant human PDE1A using [3H]-cGMP as substrate incubated for 10 mins by SPA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.29E+3nMAssay Description:Inhibition of his-tagged recombinant human PDE10A catalytic domain (S439 to A766 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cAMP as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full-length recombinant human PDE3A using [3H]-cGMP as substrate incubated for 10 mins by SPA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full-length recombinant human PDE8A using [3H]-cAMP as substrate incubated for 10 mins by SPA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of his-tagged recombinant human PDE7A catalytic domain (S130 to S482 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cAMP as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of his-tagged recombinant human PDE9A catalytic domain (P181 to K506 residues) expressed in Escherichia coli BL21(DE3) using [3H]-cGMP as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM50113739(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-methoxy-ben...)
Affinity DataIC50: 3.30E+5nMAssay Description:Binding affinity to cyclin-dependent kinase 1 (CDK1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed