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Compile Data Set for Download or QSAR

Found 355 hits with Last Name = 'strnad' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132175
PNG
(2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3O)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-5-3-4-6-11(10)21/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 0.440n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132169
PNG
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 0.900n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154931
PNG
(CHEMBL3775792)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132178
PNG
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)
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n/an/a 1.10n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132185
PNG
(Benzyl-(3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-10(2)12-13-14(20-19-12)15(18-9-17-13)16-8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 1.20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132183
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-pen...)
Show SMILES CCCCCNc1ncnc2c([nH]nc12)C(C)C
Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-13-12-11(15-8-16-13)10(9(2)3)17-18-12/h8-9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)
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n/an/a 1.20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132172
PNG
(3-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-4-3-5-11(21)6-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 1.70n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132179
PNG
(4-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-9(2)12-13-14(20-19-12)15(18-8-17-13)16-7-10-3-5-11(21)6-4-10/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 1.80n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/s2
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n/an/a 2n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132174
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(4-...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1
Show InChI InChI=1S/C16H19N5O/c1-10(2)13-14-15(21-20-13)16(19-9-18-14)17-8-11-4-6-12(22-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,20,21)(H,17,18,19)
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n/an/a 2.30n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132167
PNG
(CHEMBL103206 | Furan-2-ylmethyl-(3-isopropyl-1H-py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccco3)ncnc12
Show InChI InChI=1S/C13H15N5O/c1-8(2)10-11-12(18-17-10)13(16-7-15-11)14-6-9-4-3-5-19-9/h3-5,7-8H,6H2,1-2H3,(H,17,18)(H,14,15,16)
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n/an/a 2.5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132177
PNG
(3-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3cccc(O)c3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-4-3-5-12(21)6-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
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n/an/a 3.10n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM10641
PNG
(6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)
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n/an/a 3.60n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132176
PNG
((9-Isopropyl-9H-purin-6-yl)-(4-methoxy-benzyl)-ami...)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1
Show InChI InChI=1S/C16H19N5O/c1-11(2)21-10-20-14-15(18-9-19-16(14)21)17-8-12-4-6-13(22-3)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,17,18,19)
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n/an/a 3.80n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132171
PNG
(4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3ccc(O)cc3)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-3-5-12(21)6-4-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
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n/an/a 4n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132170
PNG
(2-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3O)ncnc12
Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-5-3-4-6-12(11)21/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)
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n/an/a 4.40n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132180
PNG
((3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)-(3-...)
Show SMILES CC(C)c1[nH]nc2c(NCC=C(C)C)ncnc12 |(2.34,-7.59,;3.38,-6.46,;4.88,-6.77,;2.9,-5,;3.81,-3.74,;2.9,-2.48,;1.43,-2.97,;.09,-2.2,;.08,-.66,;1.42,.11,;1.41,1.65,;2.74,2.43,;2.74,3.97,;4.08,1.66,;-1.24,-2.97,;-1.24,-4.51,;.09,-5.28,;1.43,-4.51,)|
Show InChI InChI=1S/C13H19N5/c1-8(2)5-6-14-13-12-11(15-7-16-13)10(9(3)4)17-18-12/h5,7,9H,6H2,1-4H3,(H,17,18)(H,14,15,16)
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n/an/a 4.5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132186
PNG
(5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...)
Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-10(2)21-9-20-14-15(18-8-19-16(14)21)17-7-11-4-5-13(23-3)12(22)6-11/h4-6,8-10,22H,7H2,1-3H3,(H,17,18,19)
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n/an/a 4.5n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154928
PNG
(CHEMBL3775509)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C24H27N7O/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)
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n/an/a 5n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154932
PNG
(CHEMBL3774632)
Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 5n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132173
PNG
((3-Chloro-phenyl)-(9-isopropyl-9H-purin-6-yl)-amin...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-9(2)20-8-18-12-13(16-7-17-14(12)20)19-11-5-3-4-10(15)6-11/h3-9H,1-2H3,(H,16,17,19)
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n/an/a 5.90n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132182
PNG
((9-Isopropyl-9H-purin-6-yl)-pentyl-amine | CHEMBL9...)
Show SMILES CCCCCNc1ncnc2n(cnc12)C(C)C
Show InChI InChI=1S/C13H21N5/c1-4-5-6-7-14-12-11-13(16-8-15-12)18(9-17-11)10(2)3/h8-10H,4-7H2,1-3H3,(H,14,15,16)
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n/an/a 6.90n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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n/an/a 7n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154925
PNG
(CHEMBL3775470)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN)nc12
Show InChI InChI=1S/C22H26N8/c1-14(2)18-19-20(30-29-18)21(28-22(27-19)25-12-10-23)26-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 8n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154931
PNG
(CHEMBL3775792)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 9n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154930
PNG
(CHEMBL3774932)
Show SMILES CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1/C24H29N7O/c1-4-18(14-32)27-24-28-21-20(15(2)3)30-31-22(21)23(29-24)26-13-16-8-10-17(11-9-16)19-7-5-6-12-25-19/h5-12,15,18,32H,4,13-14H2,1-3H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 9n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132168
PNG
(CHEMBL103798 | Furan-2-ylmethyl-(9-isopropyl-9H-pu...)
Show SMILES CC(C)n1cnc2c(NCc3ccco3)ncnc12
Show InChI InChI=1S/C13H15N5O/c1-9(2)18-8-17-11-12(15-7-16-13(11)18)14-6-10-4-3-5-19-10/h3-5,7-9H,6H2,1-2H3,(H,14,15,16)
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n/an/a 9.10n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM10642
PNG
(2-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)
Show SMILES CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O2/c1-12(2)15(10-27)23-20-24-18(21-9-14-7-5-6-8-16(14)28)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,15,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)
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n/an/a 10n/an/an/an/a7.430



Palacky University



Assay 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...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50437236
PNG
(CHEMBL2402946)
Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)|
Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)
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n/an/a 11n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) using (YSPTSPS)2KK peptide as substrate


J Med Chem 56: 6234-47 (2013)


Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132187
PNG
((2-Bromo-benzyl)-(3-isopropyl-1H-pyrazolo[4,3-d]py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C15H16BrN5/c1-9(2)12-13-14(21-20-12)15(19-8-18-13)17-7-10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,17,18,19)
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n/an/a 11n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154929
PNG
(CHEMBL3775677)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12
Show InChI InChI=1/C23H27N7O2/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-17(32)13-31)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,31-32H,11-13H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 12n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132184
PNG
((9-Isopropyl-9H-purin-6-yl)-(3-methyl-but-2-enyl)-...)
Show SMILES [#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])ncnc12
Show InChI InChI=1S/C13H19N5/c1-9(2)5-6-14-12-11-13(16-7-15-12)18(8-17-11)10(3)4/h5,7-8,10H,6H2,1-4H3,(H,14,15,16)
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n/an/a 17n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154923
PNG
(CHEMBL3775608)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(N)CO)nc12
Show InChI InChI=1/C23H28N8O/c1-14(2)19-20-21(31-30-19)22(29-23(28-20)27-12-17(24)13-32)26-11-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17,32H,11-13,24H2,1-2H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132169
PNG
((3-Chloro-phenyl)-(3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c(Nc3cccc(Cl)c3)ncnc12
Show InChI InChI=1S/C14H14ClN5/c1-8(2)11-12-13(20-19-11)14(17-7-16-12)18-10-5-3-4-9(15)6-10/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 18n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154928
PNG
(CHEMBL3775509)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C24H27N7O/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154925
PNG
(CHEMBL3775470)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN)nc12
Show InChI InChI=1S/C22H26N8/c1-14(2)18-19-20(30-29-18)21(28-22(27-19)25-12-10-23)26-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50437236
PNG
(CHEMBL2402946)
Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)|
Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)
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n/an/a 19n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin) using histone H1 as substrate


J Med Chem 56: 6234-47 (2013)


Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50366800
PNG
(OLOMOUCINE II)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL




Bioorg Med Chem Lett 12: 3283-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FT8MK1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154929
PNG
(CHEMBL3775677)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12
Show InChI InChI=1/C23H27N7O2/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-17(32)13-31)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,31-32H,11-13H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 21n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154932
PNG
(CHEMBL3774632)
Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 21n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132181
PNG
((2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine...)
Show SMILES CC(C)n1cnc2c(NCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C15H16BrN5/c1-10(2)21-9-20-13-14(18-8-19-15(13)21)17-7-11-5-3-4-6-12(11)16/h3-6,8-10H,7H2,1-2H3,(H,17,18,19)
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n/an/a 23n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50437235
PNG
(CHEMBL2402947)
Show SMILES NC1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C3CCCC3)c2n1 |(23.71,-19.02,;22.17,-19.03,;21.41,-20.37,;19.88,-20.39,;19.11,-19.06,;19.85,-17.72,;21.39,-17.71,;17.57,-19.08,;16.78,-17.75,;15.24,-17.76,;14.46,-16.43,;12.92,-16.44,;12.13,-15.11,;10.59,-15.13,;9.81,-13.8,;8.26,-13.83,;7.47,-12.51,;7.51,-15.16,;8.29,-16.48,;9.83,-16.47,;10.62,-17.79,;15.21,-15.08,;14.72,-13.62,;15.95,-12.71,;17.21,-13.59,;18.68,-13.1,;19.93,-13.99,;21.17,-13.06,;20.67,-11.6,;19.13,-11.62,;16.75,-15.07,;17.55,-16.4,)|
Show InChI InChI=1S/C23H30ClN7O/c24-15-5-10-19(32)14(11-15)12-26-21-20-22(31(13-27-20)18-3-1-2-4-18)30-23(29-21)28-17-8-6-16(25)7-9-17/h5,10-11,13,16-18,32H,1-4,6-9,12,25H2,(H2,26,28,29,30)
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n/an/a 23n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK1


J Med Chem 56: 6234-47 (2013)


Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154926
PNG
(CHEMBL3774979)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)
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n/an/a 24n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132178
PNG
(5-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylam...)
Show SMILES COc1ccc(CNc2ncnc3c([nH]nc23)C(C)C)cc1O
Show InChI InChI=1S/C16H19N5O2/c1-9(2)13-14-15(21-20-13)16(19-8-18-14)17-7-10-4-5-12(23-3)11(22)6-10/h4-6,8-9,22H,7H2,1-3H3,(H,20,21)(H,17,18,19)
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n/an/a 26n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50132187
PNG
((2-Bromo-benzyl)-(3-isopropyl-1H-pyrazolo[4,3-d]py...)
Show SMILES CC(C)c1[nH]nc2c(NCc3ccccc3Br)ncnc12
Show InChI InChI=1S/C15H16BrN5/c1-9(2)12-13-14(21-20-12)15(19-8-18-13)17-7-10-5-3-4-6-11(10)16/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,17,18,19)
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n/an/a 29n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
In vitro antiproliferative activity against myeloid leukemia K562 cell line


Bioorg Med Chem Lett 13: 2989-92 (2003)


BindingDB Entry DOI: 10.7270/Q29Z948Q
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM10635
PNG
(3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...)
Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)
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n/an/a 30n/an/an/an/a7.430



Palacky University



Assay 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...


J Med Chem 43: 2506-13 (2000)


Article DOI: 10.1021/jm801051t
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50132192
PNG
(CHEMBL102871 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(1.38,-4.56,;2.41,-3.41,;3.9,-3.73,;1.92,-1.94,;2.85,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-4.88,.09,;-6.2,.86,;-7.55,.09,;-8.88,.86,;-7.55,-1.45,;-6.22,-2.22,;-.88,-2.24,;.45,-1.47,)|
Show InChI InChI=1S/C20H26ClN7/c1-12(2)28-11-23-17-18(24-16-5-3-4-13(21)10-16)26-20(27-19(17)28)25-15-8-6-14(22)7-9-15/h3-5,10-12,14-15H,6-9,22H2,1-2H3,(H2,24,25,26,27)
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n/an/a 30n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154933
PNG
(CHEMBL3775502)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCO)nc12
Show InChI InChI=1S/C22H25N7O/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)24-11-12-30)25-13-15-6-8-16(9-7-15)17-5-3-4-10-23-17/h3-10,14,30H,11-13H2,1-2H3,(H,28,29)(H2,24,25,26,27)
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n/an/a 31n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154926
PNG
(CHEMBL3774979)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)
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n/an/a 37n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP


Eur J Med Chem 110: 291-301 (2016)


BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
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