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-OAHLLOKOSA-N

Data  5 KI  187 IC50  339 Kd  1 EC50

PDB links: 6 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 532 hits for monomerid = 7533   

TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  250nMAssay Description:Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Human)
University of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  250nMMore data for this Ligand-Target Pair
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  790nMAssay Description:Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi:  3.10E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCasein kinase I isoform delta(Rat)
University of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  930nMAssay Description:Inhibition of CDK5/p25 (unknown origin) after 30 mins by SDS-PAGE analysisMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 1(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  2.42E+3nMAssay Description:Inhibition of human recombinant CDK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  350nMpH: 7.2 T: 30°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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  400nMpH: 7.2 T: 30°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
TargetCyclin-dependent kinase 5 activator 1 [99-307](Human)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  200nMpH: 7.2 T: 30°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
TargetMitogen-activated protein kinase 1(Human)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  2.20E+4nMpH: 7.2 T: 30°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 DepthDetails ArticlePubMed
TargetCasein kinase I isoform alpha(Rat)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.00E+5nMpH: 7.2 T: 30°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 DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.10E+4nMpH: 7.2 T: 30°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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  450nMT: 30°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. 32...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1/G2/mitotic-specific cyclin-B(Spiny starfish)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  450nMpH: 7.2 T: 30°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. 32...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  450nMpH: 7.2 T: 30°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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1 [99-307](Human)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  160nMpH: 7.2 T: 30°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
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+6nMT: 30°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 DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+6nMT: 30°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 DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.30E+5nMT: 30°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 DepthDetails ArticlePubMed
TargetCasein kinase I isoform alpha(Rat)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  1.70E+4nMT: 30°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 DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  370nMpH: 7.2 T: 22°CAssay Description:CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....More data for this Ligand-Target Pair
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  330nMpH: 7.5 T: 30°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  220nMpH: 7.5 T: 30°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 5 activator 1 [99-307](Human)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  270nMpH: 7.5 T: 30°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
TargetCyclin-H/Cyclin-dependent kinase 7(Human)
Universite De Lyon

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  800nMpH: 7.5 T: 30°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  230nMpH: 7.5 T: 30°CAssay Description:In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetALK tyrosine kinase receptor(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  2.30E+3nMpH: 7.4 T: 25°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 7(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  1.80E+3nMpH: 7.4 T: 23°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein kinase CLK1 [R432A](Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  1.20E+3nMpH: 7.4 T: 23°CAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 2(Human)
University of Dundee

Curated by PDSP Ki Database
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  3.40E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 5(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  1.90E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  700nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCasein kinase I isoform delta(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  260nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCasein kinase I isoform epsilon(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  320nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCasein kinase I isoform gamma-3(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  2.90E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein kinase TTK(Human)
Ambit Biosciences

Curated by PubChem BioAssay
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataKd:  1.60E+3nMAssay Description:Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCyclin-dependent kinase 1(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  450nMAssay Description:Inhibitory concentration against Cyclin dependent kinase 1.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Chinese Academy of Sciences

LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
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
TargetTyrosine-protein kinase ABL1(Human)
Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of recombinant Abl kinase (unknown origin) expressed in Sf9 cells using GGEAIYAAPFKK as substrate in presence of [gamma33P]ATPMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5 activator 1(Human)
Kyung Hee University

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  280nMAssay Description:Inhibition of human recombinant CDK5/p25 using [gamma-33P]ATP after 30 mins incubation by scintillation counting analysisMore data for this Ligand-Target Pair
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  700nMAssay Description:Inhibition of Cyclin E-cyclin-dependent kinase 2More data for this Ligand-Target Pair
TargetcAMP-dependent protein kinase catalytic subunit alpha/beta/gamma(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of cAMP-dependent protein kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  700nMAssay Description:Inhibition of Cyclin A-cyclin-dependent kinase 2More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Human)
Aventis Pharma Deutschland

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of Cyclin D1-cyclin-dependent kinase 4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  650nMAssay Description:Inhibition of Cyclin B-cyclin-dependent kinase 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  450nMAssay Description:Inhibition of CDK1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 1(Human)
Palack£

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  200nMAssay Description:Inhibition of Cdc2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM7533((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Affinity DataIC50:  950nMAssay Description:Inhibition of CDK9/cyclinT assessed as amount of ATP released by luciferase activity based PKLight assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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