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PubMed code 26851505

Compile data set for download or QSAR
Found 65 hits of Enzyme Inhibition Constant Data   
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-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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154924
PNG
(CHEMBL3775223)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/s2
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n/an/a 44n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
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 45n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154924
PNG
(CHEMBL3775223)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12
Show InChI InChI=1/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/s2
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n/an/a 46n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154935
PNG
(CHEMBL3775479)
Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 48n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(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 49n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154922
PNG
(CHEMBL3774949)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C24H28N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)32-13-11-25-12-14-32)27-15-17-6-8-18(9-7-17)19-5-3-4-10-26-19/h3-10,16,25H,11-15H2,1-2H3,(H,30,31)(H,27,28,29)
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n/an/a 50n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(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 51n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(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 54n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154927
PNG
(CHEMBL3775681)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCSCC1
Show InChI InChI=1S/C24H27N7S/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 61n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154937
PNG
(CHEMBL518800)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/s2
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n/an/a 62n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM50154934
PNG
(CHEMBL3775606)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)S(C)(=O)=O
Show InChI InChI=1S/C21H22N6O2S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)30(3,28)29)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 70n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
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 72n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154920
PNG
(CHEMBL3774503)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-20-12-10-19(27)11-13-20)29-15-17-6-8-18(9-7-17)21-5-3-4-14-28-21/h3-9,14,16,19-20H,10-13,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,20-
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n/an/a 96n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154927
PNG
(CHEMBL3775681)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCSCC1
Show InChI InChI=1S/C24H27N7S/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 114n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154922
PNG
(CHEMBL3774949)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C24H28N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)32-13-11-25-12-14-32)27-15-17-6-8-18(9-7-17)19-5-3-4-10-26-19/h3-10,16,25H,11-15H2,1-2H3,(H,30,31)(H,27,28,29)
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n/an/a 119n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
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 127n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154919
PNG
(CHEMBL3775467)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C26H32N8O/c1-18(2)22-23-24(32-31-22)25(30-26(29-23)34-13-11-33(12-14-34)15-16-35)28-17-19-6-8-20(9-7-19)21-5-3-4-10-27-21/h3-10,18,35H,11-17H2,1-2H3,(H,31,32)(H,28,29,30)
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n/an/a 132n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 134n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
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 158n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154934
PNG
(CHEMBL3775606)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)S(C)(=O)=O
Show InChI InChI=1S/C21H22N6O2S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)30(3,28)29)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 165n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50139171
PNG
(DINACICLIB | Dinaciclib | MK-7965 | SCH-727965)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO
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 178n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154920
PNG
(CHEMBL3774503)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-20-12-10-19(27)11-13-20)29-15-17-6-8-18(9-7-17)21-5-3-4-14-28-21/h3-9,14,16,19-20H,10-13,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,20-
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n/an/a 179n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154936
PNG
(CHEMBL3774434)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)ncnc12
Show InChI InChI=1S/C20H20N6/c1-13(2)17-18-19(26-25-17)20(24-12-23-18)22-11-14-6-8-15(9-7-14)16-5-3-4-10-21-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)(H,22,23,24)
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n/an/a 183n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154936
PNG
(CHEMBL3774434)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)ncnc12
Show InChI InChI=1S/C20H20N6/c1-13(2)17-18-19(26-25-17)20(24-12-23-18)22-11-14-6-8-15(9-7-14)16-5-3-4-10-21-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)(H,22,23,24)
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n/an/a 197n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154937
PNG
(CHEMBL518800)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/s2
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n/an/a 225n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154935
PNG
(CHEMBL3775479)
Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 229n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(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 240n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154919
PNG
(CHEMBL3775467)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1
Show InChI InChI=1S/C26H32N8O/c1-18(2)22-23-24(32-31-22)25(30-26(29-23)34-13-11-33(12-14-34)15-16-35)28-17-19-6-8-20(9-7-19)21-5-3-4-10-27-21/h3-10,18,35H,11-17H2,1-2H3,(H,31,32)(H,28,29,30)
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n/an/a 422n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154921
PNG
(CHEMBL3775657)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN(C)C)nc12
Show InChI InChI=1S/C24H30N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)26-13-14-32(3)4)27-15-17-8-10-18(11-9-17)19-7-5-6-12-25-19/h5-12,16H,13-15H2,1-4H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 467n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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 777n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(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 892n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(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 1.07E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM50154917
PNG
(CHEMBL3775861)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCc3ccc(cc3)-c3ccccn3)nc12
Show InChI InChI=1S/C32H30N8/c1-21(2)28-29-30(40-39-28)31(35-19-22-9-13-24(14-10-22)26-7-3-5-17-33-26)38-32(37-29)36-20-23-11-15-25(16-12-23)27-8-4-6-18-34-27/h3-18,21H,19-20H2,1-2H3,(H,39,40)(H2,35,36,37,38)
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n/an/a 1.45E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50154918
PNG
(CHEMBL3774636)
Show SMILES COc1ccc(CNc2nc(NCc3ccc(cc3)-c3ccccn3)c3[nH]nc(C(C)C)c3n2)cc1
Show InChI InChI=1S/C28H29N7O/c1-18(2)24-25-26(35-34-24)27(33-28(32-25)31-17-20-9-13-22(36-3)14-10-20)30-16-19-7-11-21(12-8-19)23-6-4-5-15-29-23/h4-15,18H,16-17H2,1-3H3,(H,34,35)(H2,30,31,32,33)
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n/an/a 1.48E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 1.80E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(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>2.00E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154921
PNG
(CHEMBL3775657)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN(C)C)nc12
Show InChI InChI=1S/C24H30N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)26-13-14-32(3)4)27-15-17-8-10-18(11-9-17)19-7-5-6-12-25-19/h5-12,16H,13-15H2,1-4H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 2.14E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
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 2.78E+3n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154917
PNG
(CHEMBL3775861)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCc3ccc(cc3)-c3ccccn3)nc12
Show InChI InChI=1S/C32H30N8/c1-21(2)28-29-30(40-39-28)31(35-19-22-9-13-24(14-10-22)26-7-3-5-17-33-26)38-32(37-29)36-20-23-11-15-25(16-12-23)27-8-4-6-18-34-27/h3-18,21H,19-20H2,1-2H3,(H,39,40)(H2,35,36,37,38)
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n/an/a 3.60E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 3.70E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50154918
PNG
(CHEMBL3774636)
Show SMILES COc1ccc(CNc2nc(NCc3ccc(cc3)-c3ccccn3)c3[nH]nc(C(C)C)c3n2)cc1
Show InChI InChI=1S/C28H29N7O/c1-18(2)24-25-26(35-34-24)27(33-28(32-25)31-17-20-9-13-22(36-3)14-10-20)30-16-19-7-11-21(12-8-19)23-6-4-5-15-29-23/h4-15,18H,16-17H2,1-3H3,(H,34,35)(H2,30,31,32,33)
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n/an/a 4.42E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
CDK2/CycE


(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 9.20E+3n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(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>1.00E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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>1.00E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(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>1.00E+4n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


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


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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n/an/a 4.47E+4n/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)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%