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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'oakes' and Initial = 'se'   
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 2


(Homo sapiens (Human))
BDBM50263028
PNG
(4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7657
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7657
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7658
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C18H16N6O2S/c1-19-27(25,26)14-7-5-13(6-8-14)22-18-20-10-9-15(23-18)16-12-21-17-4-2-3-11-24(16)17/h2-12,19H,1H3,(H,20,22,23)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50025068
PNG
(CHEMBL484555)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1
Show InChI InChI=1S/C22H28N6O3S/c1-16-24-15-21(28(16)18-5-3-4-6-18)20-11-12-23-22(27-20)26-17-7-9-19(10-8-17)32(29,30)25-13-14-31-2/h7-12,15,18,25H,3-6,13-14H2,1-2H3,(H,23,26,27)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7672
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CDK2/CycE


(Homo sapiens (Human))
BDBM7655
PNG
(4-{imidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnc2ccccn12
Show InChI InChI=1S/C17H13N5/c1-2-6-13(7-3-1)20-17-18-10-9-14(21-17)15-12-19-16-8-4-5-11-22(15)16/h1-12H,(H,18,20,21)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50025069
PNG
(CHEMBL485425)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
Show InChI InChI=1S/C16H18N6O2S/c1-11-19-10-15(22(11)3)14-8-9-18-16(21-14)20-12-4-6-13(7-5-12)25(23,24)17-2/h4-10,17H,1-3H3,(H,18,20,21)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7679
PNG
(Imidazo[1,2-b]pyridazine deriv. 4b | N-(2-methoxye...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc3cccnn23)cc1
Show InChI InChI=1S/C20H21N7O3S/c1-14-19(27-18(24-14)4-3-10-22-27)17-9-11-21-20(26-17)25-15-5-7-16(8-6-15)31(28,29)23-12-13-30-2/h3-11,23H,12-13H2,1-2H3,(H,21,25,26)
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n/an/a 3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7675
PNG
(Imidazo[1,2-b]pyridazine deriv. 2e | N-[3-(dimethy...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7673
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C19H19N7O3S/c1-29-12-11-23-30(27,28)15-6-4-14(5-7-15)24-19-20-10-8-16(25-19)17-13-21-18-3-2-9-22-26(17)18/h2-10,13,23H,11-12H2,1H3,(H,20,24,25)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7662
PNG
(N-[3-(dimethylamino)propyl]-4-[(4-{imidazo[1,2-a]p...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C22H25N7O2S/c1-28(2)14-5-12-25-32(30,31)18-9-7-17(8-10-18)26-22-23-13-11-19(27-22)20-16-24-21-6-3-4-15-29(20)21/h3-4,6-11,13,15-16,25H,5,12,14H2,1-2H3,(H,23,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7664
PNG
(4-[(5-chloro-4-{imidazo[1,2-a]pyridin-3-yl}pyrimid...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H19ClN6O3S/c1-30-11-9-24-31(28,29)15-7-5-14(6-8-15)25-20-23-12-16(21)19(26-20)17-13-22-18-4-2-3-10-27(17)18/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25,26)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7665
PNG
(4-[(5-bromo-4-{imidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2ncc(Br)c(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-9-24-31(28,29)15-7-5-14(6-8-15)25-20-23-12-16(21)19(26-20)17-13-22-18-4-2-3-10-27(17)18/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25,26)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7667
PNG
(4-[(4-{6-bromoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Br)cn23)cc1
Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-10-24-31(28,29)16-5-3-15(4-6-16)25-20-22-9-8-17(26-20)18-12-23-19-7-2-14(21)13-27(18)19/h2-9,12-13,24H,10-11H2,1H3,(H,22,25,26)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7668
PNG
(4-[(4-{6-cyanoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(cn23)C#N)cc1
Show InChI InChI=1S/C21H19N7O3S/c1-31-11-10-25-32(29,30)17-5-3-16(4-6-17)26-21-23-9-8-18(27-21)19-13-24-20-7-2-15(12-22)14-28(19)20/h2-9,13-14,25H,10-11H2,1H3,(H,23,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7669
PNG
(4-({4-[6-(ethylsulfanyl)imidazo[1,2-a]pyridin-3-yl...)
Show SMILES CCSc1ccc2ncc(-c3ccnc(Nc4ccc(cc4)S(=O)(=O)NCCOC)n3)n2c1
Show InChI InChI=1S/C22H24N6O3S2/c1-3-32-17-6-9-21-24-14-20(28(21)15-17)19-10-11-23-22(27-19)26-16-4-7-18(8-5-16)33(29,30)25-12-13-31-2/h4-11,14-15,25H,3,12-13H2,1-2H3,(H,23,26,27)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7671
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C16H13N7O2S/c17-26(24,25)12-5-3-11(4-6-12)21-16-18-9-7-13(22-16)14-10-19-15-2-1-8-20-23(14)15/h1-10H,(H2,17,24,25)(H,18,21,22)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7672
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
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n/an/a<3n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274698
PNG
(4-(4-(1-ethyl-2-methyl-1H-imidazol-5-yl)pyrimidin-...)
Show SMILES CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCCOC)n1
Show InChI InChI=1S/C19H24N6O3S/c1-4-25-14(2)21-13-18(25)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(26,27)22-11-12-28-3/h5-10,13,22H,4,11-12H2,1-3H3,(H,20,23,24)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7660
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES COCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C21H22N6O3S/c1-30-14-4-11-24-31(28,29)17-8-6-16(7-9-17)25-21-22-12-10-18(26-21)19-15-23-20-5-2-3-13-27(19)20/h2-3,5-10,12-13,15,24H,4,11,14H2,1H3,(H,22,25,26)
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n/an/a 4n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7656
PNG
(Imidazo[1,2-a]pyridine deriv. 1g | N-(3-chlorophen...)
Show SMILES Clc1cccc(Nc2nccc(n2)-c2cnc3ccccn23)c1
Show InChI InChI=1S/C17H12ClN5/c18-12-4-3-5-13(10-12)21-17-19-8-7-14(22-17)15-11-20-16-6-1-2-9-23(15)16/h1-11H,(H,19,21,22)
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n/an/a 5n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7663
PNG
(N-[3-(dimethylamino)propyl]-4-[(4-{imidazo[1,2-a]p...)
Show SMILES CN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C23H27N7O2S/c1-28(2)14-6-15-29(3)33(31,32)19-10-8-18(9-11-19)26-23-24-13-12-20(27-23)21-17-25-22-7-4-5-16-30(21)22/h4-5,7-13,16-17H,6,14-15H2,1-3H3,(H,24,26,27)
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n/an/a 5n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7661
PNG
(N-[2-(dimethylamino)ethyl]-4-[(4-{imidazo[1,2-a]py...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C21H23N7O2S/c1-27(2)14-12-24-31(29,30)17-8-6-16(7-9-17)25-21-22-11-10-18(26-21)19-15-23-20-5-3-4-13-28(19)20/h3-11,13,15,24H,12,14H2,1-2H3,(H,22,25,26)
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n/an/a 5n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E/CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274662
PNG
(4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...)
Show SMILES CC(C)OCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
Show InChI InChI=1S/C21H28N6O3S/c1-15(2)30-13-5-11-24-31(28,29)18-8-6-17(7-9-18)25-21-22-12-10-19(26-21)20-14-23-16(3)27(20)4/h6-10,12,14-15,24H,5,11,13H2,1-4H3,(H,22,25,26)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7674
PNG
(CHEMBL484571 | Imidazo[1,2-b]pyridazine deriv. 2d ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C20H22N8O2S/c1-27(2)13-12-24-31(29,30)16-7-5-15(6-8-16)25-20-21-11-9-17(26-20)18-14-22-19-4-3-10-23-28(18)19/h3-11,14,24H,12-13H2,1-2H3,(H,21,25,26)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274661
PNG
(4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
Show InChI InChI=1S/C18H22N6O3S/c1-13-20-12-17(24(13)2)16-8-9-19-18(23-16)22-14-4-6-15(7-5-14)28(25,26)21-10-11-27-3/h4-9,12,21H,10-11H2,1-3H3,(H,19,22,23)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274625
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(pr...)
Show SMILES CCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C20H25N5O2S/c1-5-12-28(26,27)17-8-6-16(7-9-17)23-20-21-11-10-18(24-20)19-13-22-15(4)25(19)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,21,23,24)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7674
PNG
(CHEMBL484571 | Imidazo[1,2-b]pyridazine deriv. 2d ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C20H22N8O2S/c1-27(2)13-12-24-31(29,30)16-7-5-15(6-8-16)25-20-21-11-9-17(26-20)18-14-22-19-4-3-10-23-28(18)19/h3-11,14,24H,12-13H2,1-2H3,(H,21,25,26)
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n/an/a 8n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274626
PNG
(4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...)
Show SMILES Cc1ncc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)n1C
Show InChI InChI=1S/C15H16N6O2S/c1-10-18-9-14(21(10)2)13-7-8-17-15(20-13)19-11-3-5-12(6-4-11)24(16,22)23/h3-9H,1-2H3,(H2,16,22,23)(H,17,19,20)
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7659
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H20N6O3S/c1-29-13-11-23-30(27,28)16-7-5-15(6-8-16)24-20-21-10-9-17(25-20)18-14-22-19-4-2-3-12-26(18)19/h2-10,12,14,23H,11,13H2,1H3,(H,21,24,25)
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n/an/a 12n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7659
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H20N6O3S/c1-29-13-11-23-30(27,28)16-7-5-15(6-8-16)24-20-21-10-9-17(25-20)18-14-22-19-4-2-3-12-26(18)19/h2-10,12,14,23H,11,13H2,1H3,(H,21,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274806
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-((t...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CC2CCCO2)n1
Show InChI InChI=1S/C22H27N5O3S/c1-15(2)27-16(3)24-13-21(27)20-10-11-23-22(26-20)25-17-6-8-19(9-7-17)31(28,29)14-18-5-4-12-30-18/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,23,25,26)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274805
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(2-...)
Show SMILES COCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1
Show InChI InChI=1S/C20H25N5O3S/c1-14(2)25-15(3)22-13-19(25)18-9-10-21-20(24-18)23-16-5-7-17(8-6-16)29(26,27)12-11-28-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,23,24)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274699
PNG
(4-(4-(1-isobutyl-2-methyl-1H-imidazol-5-yl)pyrimid...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2CC(C)C)cc1
Show InChI InChI=1S/C21H28N6O3S/c1-15(2)14-27-16(3)23-13-20(27)19-9-10-22-21(26-19)25-17-5-7-18(8-6-17)31(28,29)24-11-12-30-4/h5-10,13,15,24H,11-12,14H2,1-4H3,(H,22,25,26)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
G2/mitotic-specific cyclin-B1


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin B1/CDK1


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7670
PNG
(Imidazo[1,2-a]pyridine deriv. 4g | N-(2-methoxyeth...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Sc4ccccc4)cn23)cc1
Show InChI InChI=1S/C26H24N6O3S2/c1-35-16-15-29-37(33,34)22-10-7-19(8-11-22)30-26-27-14-13-23(31-26)24-17-28-25-12-9-21(18-32(24)25)36-20-5-3-2-4-6-20/h2-14,17-18,29H,15-16H2,1H3,(H,27,30,31)
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n/an/a 16n/an/an/an/a7.022



AstraZeneca



Assay Description
The kinase activity was assayed using an in vitro scintillation proximity assay (SPA) for measuring incorporation of [gamma-33P] ATP into GST-Rb.


Bioorg Med Chem Lett 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274746
PNG
(CHEMBL457979 | N-(4-(benzylsulfonyl)phenyl)-4-(1-i...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Cc2ccccc2)n1
Show InChI InChI=1S/C24H25N5O2S/c1-17(2)29-18(3)26-15-23(29)22-13-14-25-24(28-22)27-20-9-11-21(12-10-20)32(30,31)16-19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,25,27,28)
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-T1


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin T/CDK9


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
G1/S-specific cyclin-D3


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin D3/CDK6


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274745
PNG
(4-(1-ethyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methyl...)
Show SMILES CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H19N5O2S/c1-4-22-12(2)19-11-16(22)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)25(3,23)24/h5-11H,4H2,1-3H3,(H,18,20,21)
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274663
PNG
(4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1
Show InChI InChI=1S/C19H25N7O2S/c1-14-21-13-18(26(14)4)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(27,28)22-11-12-25(2)3/h5-10,13,22H,11-12H2,1-4H3,(H,20,23,24)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274808
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(3-...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN2CCOCC2)n1
Show InChI InChI=1S/C24H32N6O3S/c1-18(2)30-19(3)26-17-23(30)22-9-10-25-24(28-22)27-20-5-7-21(8-6-20)34(31,32)16-4-11-29-12-14-33-15-13-29/h5-10,17-18H,4,11-16H2,1-3H3,(H,25,27,28)
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274807
PNG
(CHEMBL457887 | N-(4-(3-(dimethylamino)propylsulfon...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN(C)C)n1
Show InChI InChI=1S/C22H30N6O2S/c1-16(2)28-17(3)24-15-21(28)20-11-12-23-22(26-20)25-18-7-9-19(10-8-18)31(29,30)14-6-13-27(4)5/h7-12,15-16H,6,13-14H2,1-5H3,(H,23,25,26)
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-A2


(Homo sapiens (Human))
BDBM50246253
PNG
(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)
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n/an/a 45n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Cyclin A/CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274743
PNG
(CHEMBL458547 | N-(2-methoxyethyl)-4-(4-(1,2,4-trim...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc(C)n2C)cc1
Show InChI InChI=1S/C19H24N6O3S/c1-13-18(25(3)14(2)22-13)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(26,27)21-11-12-28-4/h5-10,21H,11-12H2,1-4H3,(H,20,23,24)
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50274700
PNG
(4-(4-(1-cyclopropyl-2-methyl-1H-imidazol-5-yl)pyri...)
Show SMILES COCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CC2)cc1
Show InChI InChI=1S/C21H26N6O3S/c1-15-23-14-20(27(15)17-6-7-17)19-10-11-22-21(25-19)24-16-4-8-18(9-5-16)31(28,29)26(2)12-13-30-3/h4-5,8-11,14,17H,6-7,12-13H2,1-3H3,(H,22,24,25)
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n/an/a 83n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50274807
PNG
(CHEMBL457887 | N-(4-(3-(dimethylamino)propylsulfon...)
Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CCCN(C)C)n1
Show InChI InChI=1S/C22H30N6O2S/c1-16(2)28-17(3)24-15-21(28)20-11-12-23-22(26-20)25-18-7-9-19(10-8-18)31(29,30)14-6-13-27(4)5/h7-12,15-16H,6,13-14H2,1-5H3,(H,23,25,26)
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n/an/a 140n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
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