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Compile Data Set for Download or QSAR

Found 76 hits of Enz. Inhib. data with enzyme = 'CDK2/CycE' and Substrate = 'Histone H1'   
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
CDK2/CycE


(Homo sapiens (human))
BDBM8061
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
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2 -12.1n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8067
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 38 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1N(=O)=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
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20 -10.7n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8074
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8e ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C17H15N5O/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(23)8-12/h3-8,20,23H,1-2H3,(H,19,21,22)
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30 -10.4n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8079
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8j ...)
Show SMILES Cc1[nH]c(c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1)N(=O)=O
Show InChI InChI=1S/C16H14FN5O2/c1-9-14(10(2)19-15(9)22(23)24)13-7-8-18-16(21-13)20-12-5-3-11(17)4-6-12/h3-8,19H,1-2H3,(H,18,20,21)
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30 -10.4n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8055
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(20)5-3-9/h2-7,20H,1H3,(H2,15,17)(H,16,18,19)
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30 -10.4n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8046
PNG
((4-Fluorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H13FN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)
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40 -10.3n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8070
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8a ...)
Show SMILES Cc1c[nH]c(C)c1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C16H15N5O2/c1-10-9-18-11(2)15(10)14-6-7-17-16(20-14)19-12-4-3-5-13(8-12)21(22)23/h3-9,18H,1-2H3,(H,17,19,20)
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50 -10.1n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8073
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8d ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C17H15N5O/c1-10-15(9-18)20-11(2)16(10)14-7-8-19-17(22-14)21-12-3-5-13(23)6-4-12/h3-8,20,23H,1-2H3,(H,19,21,22)
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50 -10.1n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8072
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8c ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2/c1-10-4-5-13(8-16(10)24(25)26)22-18-20-7-6-14(23-18)17-11(2)15(9-19)21-12(17)3/h4-8,21H,1-3H3,(H,20,22,23)
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50 -10.1n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8058
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 29 | N...)
Show SMILES CN(C)c1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C16H16N6O2S/c1-10-14(25-16(18-10)21(2)3)13-7-8-17-15(20-13)19-11-5-4-6-12(9-11)22(23)24/h4-9H,1-3H3,(H,17,19,20)
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60 -10.0n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8050
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 21 | 3...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(20)8-11/h3-8,20H,1-2H3,(H,16,18,19)
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60 -10.0n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM8054
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25 | 4...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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70 -9.92n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM8078
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i ...)
Show SMILES Cc1[nH]c(C(N)=O)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C17H16FN5O/c1-9-14(10(2)21-15(9)16(19)24)13-7-8-20-17(23-13)22-12-5-3-11(18)4-6-12/h3-8,21H,1-2H3,(H2,19,24)(H,20,22,23)
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80 -9.84n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8040
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 11 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C15H14N4S/c1-10-14(20-11(2)17-10)13-8-9-16-15(19-13)18-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,18,19)
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80 -9.84n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8076
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8g ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)c(C)c2)n1
Show InChI InChI=1S/C18H16FN5/c1-10-8-13(4-5-14(10)19)23-18-21-7-6-15(24-18)17-11(2)16(9-20)22-12(17)3/h4-8,22H,1-3H3,(H,21,23,24)
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90 -9.77n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8077
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8h ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C17H14FN5/c1-10-15(9-19)21-11(2)16(10)14-7-8-20-17(23-14)22-13-5-3-12(18)4-6-13/h3-8,21H,1-2H3,(H,20,22,23)
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100 -9.70n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8068
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 39 | 2...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1Cl
Show InChI InChI=1S/C17H18ClN5S/c1-10-16(24-11(2)20-10)14-7-8-19-17(22-14)21-12-5-6-15(23(3)4)13(18)9-12/h5-9H,1-4H3,(H,19,21,22)
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100 -9.70n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8045
PNG
((3-Fluorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C15H13FN4S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,19,20)
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100 -9.70n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8051
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 22 | 3...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(21)8-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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110 -9.65n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8056
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 27 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
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110 -9.65n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8075
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8f ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(C)c(O)c2)n1
Show InChI InChI=1S/C18H17N5O/c1-10-4-5-13(8-16(10)24)22-18-20-7-6-14(23-18)17-11(2)15(9-19)21-12(17)3/h4-8,21,24H,1-3H3,(H,20,22,23)
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130 -9.54n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8053
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 24 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-7-8-16-15(19-13)18-11-3-5-12(20)6-4-11/h3-8,20H,1-2H3,(H,16,18,19)
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140 -9.50n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8071
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8b ...)
Show SMILES Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C17H14N6O2/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(8-12)23(24)25/h3-8,20H,1-2H3,(H,19,21,22)
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140 -9.50n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8060
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31 | 4...)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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160 -9.42n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8066
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 37 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
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220 -9.23n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM8081
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8l ...)
Show SMILES Cc1[nH]c(Br)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C16H14BrFN4/c1-9-14(10(2)20-15(9)17)13-7-8-19-16(22-13)21-12-5-3-11(18)4-6-12/h3-8,20H,1-2H3,(H,19,21,22)
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270 -9.10n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8049
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 20 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
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290 -9.06n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM8065
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36 | 3...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C#N)n1
Show InChI InChI=1S/C16H13N5S/c1-10-15(22-11(2)19-10)14-6-7-18-16(21-14)20-13-5-3-4-12(8-13)9-17/h3-8H,1-2H3,(H,18,20,21)
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300 -9.04n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8080
PNG
(2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8k ...)
Show SMILES Cc1[nH]c(Cl)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C16H14ClFN4/c1-9-14(10(2)20-15(9)17)13-7-8-19-16(22-13)21-12-5-3-11(18)4-6-12/h3-8,20H,1-2H3,(H,19,21,22)
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360 -8.93n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


Bioorg Med Chem Lett 14: 4237-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.012
BindingDB Entry DOI: 10.7270/Q2CJ8BPP
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8064
PNG
(1-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(N)c2)n1
Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,16H2,1-2H3,(H,17,19,20)
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400 -8.87n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8042
PNG
((3-Chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-6-7-17-15(20-13)19-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H,17,19,20)
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670 -8.56n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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700 -8.53n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM8059
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 30 | N...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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800 -8.45n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8044
PNG
((2-Fluorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2F)n1
Show InChI InChI=1S/C15H13FN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20)
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1.20E+3 -8.21n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8043
PNG
((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)
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2.50E+3 -7.77n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8063
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 34 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N(=O)=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-7-8-16-15(19-13)18-11-3-5-12(6-4-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
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4.10E+3 -7.47n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8037
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 8 | 4-...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H10N4S/c1-5-8(14-6(2)12-5)7-3-4-11-9(10)13-7/h3-4H,1-2H3,(H2,10,11,13)
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6.50E+3 -7.19n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM8052
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 23 | 3...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C16H17N5OS/c1-3-17-16-19-10(2)14(23-16)13-7-8-18-15(21-13)20-11-5-4-6-12(22)9-11/h4-9,22H,3H2,1-2H3,(H,17,19)(H,18,20,21)
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>1.00E+4>-6.93n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8062
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 33 | 4...)
Show SMILES Cc1nc(sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1)-c1ccccn1
Show InChI InChI=1S/C19H14N6O2S/c1-12-17(28-18(22-12)16-7-2-3-9-20-16)15-8-10-21-19(24-15)23-13-5-4-6-14(11-13)25(26)27/h2-11H,1H3,(H,21,23,24)
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>2.00E+4>-6.51n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8057
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 28 | 4...)
Show SMILES CN(c1cccc(c1)N(=O)=O)c1nccc(n1)-c1sc(C)nc1C
Show InChI InChI=1S/C16H15N5O2S/c1-10-15(24-11(2)18-10)14-7-8-17-16(19-14)20(3)12-5-4-6-13(9-12)21(22)23/h4-9H,1-3H3
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>2.00E+4>-6.51n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8048
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 19 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-6-7-20-15(23-13)22-12-5-3-4-11(8-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
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>2.00E+4>-6.51n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8047
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 18 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2C(F)(F)F)n1
Show InChI InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-6-4-3-5-11(12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23)
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>2.00E+4>-6.51n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8041
PNG
((2-Chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccccc2Cl)n1
Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-6-4-3-5-11(12)16/h3-8H,1-2H3,(H,17,19,20)
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>2.00E+4>-6.51n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8039
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 10 | 4...)
Show SMILES CN(C)c1nccc(n1)-c1sc(C)nc1C
Show InChI InChI=1S/C11H14N4S/c1-7-10(16-8(2)13-7)9-5-6-12-11(14-9)15(3)4/h5-6H,1-4H3
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>2.00E+4>-6.51n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM8038
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 9 | 4-...)
Show SMILES CNc1nccc(n1)-c1sc(C)nc1C
Show InChI InChI=1S/C10H12N4S/c1-6-9(15-7(2)13-6)8-4-5-12-10(11-3)14-8/h4-5H,1-3H3,(H,11,12,14)
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>2.00E+4>-6.51n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
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/jm990506w
BindingDB Entry DOI: 10.7270/Q2CZ35D8
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM20832
PNG
(7-fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2...)
Show SMILES Fc1ccc2CN(c3csc(n3)-c3ccncc3)C(=O)Nc2c1
Show InChI InChI=1S/C16H11FN4OS/c17-12-2-1-11-8-21(16(22)19-13(11)7-12)14-9-23-15(20-14)10-3-5-18-6-4-10/h1-7,9H,8H2,(H,19,22)
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n/an/a 52n/an/an/an/a7.525



Amgen



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 25 °C with substrate, and test compounds in the presence of ATP/ [gamma-33P] ATP. 33P...


Bioorg Med Chem 15: 6574-95 (2007)


Article DOI: 10.1016/j.bmc.2007.07.005
BindingDB Entry DOI: 10.7270/Q2Z60MB9
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12100
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1
Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1
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n/an/a 90n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12097
PNG
(3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...)
Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1
Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)
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n/an/a 91n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 16: 1084-90 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.071
BindingDB Entry DOI: 10.7270/Q2PZ5725
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7108
PNG
((N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)a...)
Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 92n/an/an/an/an/an/a



Pharmacia Italia



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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