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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-GGYSOQFKNA-N

Data: 5 KI  134 IC50  339 Kd  1 EC50

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 479 hits for monomerid = 7533   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 11A


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CDC2L2 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for RPS6KA3(Kin.Dom.1 - N-terminal) kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/an/an/a 2.76E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at N-type Cav2.2 channel expressed in tsA201 cell assessed as calcium current by whole-cell patch clamp method


ACS Med Chem Lett 3: 985-990 (2012)


Article DOI: 10.1021/ml3002083
BindingDB Entry DOI: 10.7270/Q2BC40P0
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of the Pacific

Curated by ChEMBL


Assay Description
Binding affinity to human KIT incubated for 1 hr by kinase binding assay


Eur J Med Chem 46: 2043-57 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.057
BindingDB Entry DOI: 10.7270/Q2F47Q45
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 160n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK5


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK4


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 700n/an/an/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Inhibition of CDK2


AAPS J 8: 204-21 (2006)


Article DOI: 10.1208/aapsj080125
BindingDB Entry DOI: 10.7270/Q2TX3GBS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 7.89E+3n/an/an/an/an/an/a



University of Kaiserslautern

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal His6-tagged CDK1/N-terminal GST-tagged CyclinB expressed in baculovirus infected sf21 cells after 10 mins ...


J Med Chem 60: 4949-4962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00324
BindingDB Entry DOI: 10.7270/Q2HM5BMK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 3.49E+3n/an/an/an/an/an/a



University of Kaiserslautern

Curated by ChEMBL


Assay Description
Displacement of 125 I-gastrin from gastrin receptor of guinea pig gastric glands


J Med Chem 60: 4949-4962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00324
BindingDB Entry DOI: 10.7270/Q2HM5BMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK6/G1/S-specific cyclin D3


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Kaiserslautern

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal His6-tagged CDK6/N-terminal GST-tagged CyclinD3 expressed in sf21 cells after 10 mins in presence of [gamm...


J Med Chem 60: 4949-4962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00324
BindingDB Entry DOI: 10.7270/Q2HM5BMK
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 620n/an/an/an/an/an/a



University of Kaiserslautern

Curated by ChEMBL


Assay Description
Inhibition of full length human C-terminal His6-tagged CDK2/N-terminal GST-tagged CyclinE expressed in baculovirus infected sf21 cells after 10 mins ...


J Med Chem 60: 4949-4962 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00324
BindingDB Entry DOI: 10.7270/Q2HM5BMK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) by cell-based assay


J Med Chem 61: 9791-9810 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 72n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK2/cyclin A after 30 mins in presence of [gamma-33P] by scintillation counting method


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human DYRK3 expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] b...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 220n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK9/cyclin T expressed in insect cells using CDK7/9-tide as substrate after 30 mins in presence of [gamma-33P] by sc...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 710n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged mouse CLK3 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 620n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human DYRK2 expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] b...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Sus scrofa)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK3 using GS-1 as substrate after 30 mins in presence of [gamma-33P] by scintillation counting method


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] ...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 200n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK5/p25 after 30 mins in presence of [gamma-33P] by scintillation counting method


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins in presence of [gamma-33P] ...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ de Poitiers

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-tagged human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins in presence of [gamma-33P] ...


Eur J Med Chem 158: 1-6 (2018)

More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent-like kinase 5


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 160n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/Cyclin O


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 700n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 142: 424-458 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase-3


(Sus scrofa)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universite Paris-Descartes

Curated by ChEMBL


Assay Description
Inhibition of pig brain GSK3alpha/beta


J Med Chem 51: 5229-42 (2008)

More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused CDK2/cyclin A (unknown origin) expressed in baculovirus infected Sf9 cells after 10 min in presence of [gamma-32PP]ATP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/s2
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n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-fused CDK2/cyclin E (unknown origin) expressed in baculovirus infected Sf9 cells after 10 min in presence of [gamma-32PP]ATP


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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