BDBM7533 (2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol::(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-2-purinyl]amino]-1-butanol::(2R)-2-[[6-[(phenylmethyl)amino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol::(2R)-2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol::(R)-Roscovitine::2,6,9-Trisubstituted purine deriv. 28::CHEMBL14762::CYC-202::Roscovitine::cid_160355

SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key InChIKey=BTIHMVBBUGXLCJ-UHFFFAOYSA-N

Data  5 KI  222 IC50  339 Kd  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 568 hits for monomerid = 7533   

TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCyclin-H/Cyclin-dependent kinase 7(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 0.460nMAssay Description:Inhibition of CDK7/Cyclin H (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 0.520nMAssay Description:Inhibition of Cdk2/cyclinEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of CDK9/Cyclin T1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 2(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin) expressed in baculovirus infected Sf9 cells using histone H1 as substrate incubated for 10 mins in prese...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of recombinant Cdk2/cyclinAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2012
Entry Details Article
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 18nMAssay Description:Inhibition of His-tagged CDK2/cyclin E1 (unknown origin) expressed in Sf9 cells using histone H1 as substrate in presence of ATP and [gamma33-P]ATP b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 43nMAssay Description:Inhibition of CDK2/Cyclin A2 (unknown origin) after 10 mins by ADP-Glo reagent based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 72nMAssay Description:Inhibition of recombinant human CDK2/cyclin A after 30 mins in presence of [gamma-33P] by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Prince Sattam Bin Abdulaziz University

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 82nMAssay Description:Inhibition of CDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCyclin-dependent kinase/G2/mitotic-specific cyclin- 1(Human)
Egyptian Russian University

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 82nMAssay Description:Inhibition of CDK1/cyclinB (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 90nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCyclin-C(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK8/Cyclin C (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2/cyclin EMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/10/2011
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells in presence of [gamma33P]ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 4(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2/cyclin E (unknown origin) expressed in Sf9 cells using histone H1 as substrate in presence of [gamma33P]ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human CDK2/cyclin E (unknown origin) using FAM-labeled peptide and ATP as substrate preincubated for 10 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Binding affinity to CDK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2/cyclinE assessed as amount of ATP released by luciferase activity based PKLight assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2/Cyclin E (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/12/2017
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Sunesis Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf21 insect cells using histone H1 as substrate in presence of [gamma3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Sunesis Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 110nMAssay Description:Inhibition of recombinant human N-terminal GST-tagged CDK2/CyclinA2 expressed in baculovirus infected Sf21 cells using histone H1 as substrate incuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 140nMAssay Description:Inhibition of CDK2-cyclinA in the presence of 20uM ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 141nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 158nMAssay Description:Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2017
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CDK5/p25More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CDK5More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2013
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Sunesis Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMpH: 7.2 T: 2°CAssay Description:Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30°C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2006
Entry Details Article
PubMed
TargetCasein kinase I isoform epsilon(Human)
Ambit Biosciences

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataKd:  160nMAssay Description:Average Binding Constant for CSNK1E; NA=Not Active at 10 uMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CDK5More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMAssay Description:Compound was tested for its inhibitory activity against cyclin-dependent kinase 5More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 160nMAssay Description:Inhibition of CDK5/P25 GST-fusion protein assessed as substrate histone H1 phosphorylation by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2011
Entry Details Article
PubMed
TargetCyclin-dependent kinase 7(Human)
Tianjin University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 188nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Human)
The People'S Hospital of Xinjiang Uyghur Autonomous Region

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 193nMAssay Description:Inhibition of wild-type human N-terminal GST-tagged CDK2/cycA2 expressed in Sf21 insect cells using FAM-labelled substrate preincubated for 10 mins f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 200nMAssay Description:Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2017
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 200nMAssay Description:Inhibition of cyclin-dependent kinase 5/p25; range 0.1-0.2More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCyclin-dependent kinase 1(Human)
Prince Sattam Bin Abdulaziz University

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 200nMAssay Description:Inhibitory activity against purified cdc2 p34/Cyclin B obtained from M phase oocytes of the starfish Marthasterias glacialis.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
Duquesne University

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 200nMAssay Description:Inhibition of human recombinant CDK5/P25 using myelin basic protein substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM7533(2,6,9-Trisubstituted purine deriv. 28 | (2R)-2-[[6...)
Affinity DataIC50: 200nMAssay Description:Inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
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