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15 molecules are shown

Wt: 379.4
BDBM7605
Wt: 397.4
BDBM7606
Wt: 413.9
BDBM7607
Wt: 458.3
BDBM7608
Wt: 404.4
BDBM7609
Wt: 409.4
BDBM7610
Wt: 413.9
BDBM7611
Wt: 413.9
BDBM7612
Wt: 409.4
BDBM7613
Wt: 393.4
BDBM7614
Wt: 393.4
BDBM7624
Wt: 397.4
BDBM7625
Wt: 413.9
BDBM7626
Wt: 458.3
BDBM7627
Wt: 568.4
BDBM7628

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 7605,7606,7607,7608,7609,7610,7611,7612,7613,7614,7624,7625,7626,7627,7628   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7605
PNG
(2,4-bis anilino pyrimidine deriv. 1 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H25N5O2/c1-26(2)14-18(27)15-28-19-10-8-17(9-11-19)24-21-22-13-12-20(25-21)23-16-6-4-3-5-7-16/h3-13,18,27H,14-15H2,1-2H3,(H2,22,23,24,25)
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n/an/a 2.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7605
PNG
(2,4-bis anilino pyrimidine deriv. 1 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H25N5O2/c1-26(2)14-18(27)15-28-19-10-8-17(9-11-19)24-21-22-13-12-20(25-21)23-16-6-4-3-5-7-16/h3-13,18,27H,14-15H2,1-2H3,(H2,22,23,24,25)
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n/an/a 2.00E+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 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7607
PNG
(2,4-bis anilino pyrimidine deriv. 3 | 4-N-(2-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-16(28)14-29-17-9-7-15(8-10-17)24-21-23-12-11-20(26-21)25-19-6-4-3-5-18(19)22/h3-12,16,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 1.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7608
PNG
(2,4-bis anilino pyrimidine deriv. 4 | 4-N-(2-bromo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1
Show InChI InChI=1S/C21H24BrN5O2/c1-27(2)13-16(28)14-29-17-9-7-15(8-10-17)24-21-23-12-11-20(26-21)25-19-6-4-3-5-18(19)22/h3-12,16,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 1.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7609
PNG
(2,4-bis anilino pyrimidine deriv. 5 | 2-{[2-({4-[3...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1
Show InChI InChI=1S/C22H24N6O2/c1-28(2)14-18(29)15-30-19-9-7-17(8-10-19)25-22-24-12-11-21(27-22)26-20-6-4-3-5-16(20)13-23/h3-12,18,29H,14-15H2,1-2H3,(H2,24,25,26,27)
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n/an/a 2.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7610
PNG
(2,4-bis anilino pyrimidine deriv. 6 | 2-N-{4-[3-(d...)
Show SMILES COc1ccccc1Nc1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1
Show InChI InChI=1S/C22H27N5O3/c1-27(2)14-17(28)15-30-18-10-8-16(9-11-18)24-22-23-13-12-21(26-22)25-19-6-4-5-7-20(19)29-3/h4-13,17,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 1.90E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7611
PNG
(2,4-bis anilino pyrimidine deriv. 7 | 4-N-(3-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-18(28)14-29-19-8-6-16(7-9-19)25-21-23-11-10-20(26-21)24-17-5-3-4-15(22)12-17/h3-12,18,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 2.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7605
PNG
(2,4-bis anilino pyrimidine deriv. 1 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H25N5O2/c1-26(2)14-18(27)15-28-19-10-8-17(9-11-19)24-21-22-13-12-20(25-21)23-16-6-4-3-5-7-16/h3-13,18,27H,14-15H2,1-2H3,(H2,22,23,24,25)
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n/an/a 3.40E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7606
PNG
(2,4-bis anilino pyrimidine deriv. 2 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1
Show InChI InChI=1S/C21H24FN5O2/c1-27(2)13-16(28)14-29-17-9-7-15(8-10-17)24-21-23-12-11-20(26-21)25-19-6-4-3-5-18(19)22/h3-12,16,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 7.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7607
PNG
(2,4-bis anilino pyrimidine deriv. 3 | 4-N-(2-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-16(28)14-29-17-9-7-15(8-10-17)24-21-23-12-11-20(26-21)25-19-6-4-3-5-18(19)22/h3-12,16,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 6.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7608
PNG
(2,4-bis anilino pyrimidine deriv. 4 | 4-N-(2-bromo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1
Show InChI InChI=1S/C21H24BrN5O2/c1-27(2)13-16(28)14-29-17-9-7-15(8-10-17)24-21-23-12-11-20(26-21)25-19-6-4-3-5-18(19)22/h3-12,16,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 7.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7609
PNG
(2,4-bis anilino pyrimidine deriv. 5 | 2-{[2-({4-[3...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3C#N)n2)cc1
Show InChI InChI=1S/C22H24N6O2/c1-28(2)14-18(29)15-30-19-9-7-17(8-10-19)25-22-24-12-11-21(27-22)26-20-6-4-3-5-16(20)13-23/h3-12,18,29H,14-15H2,1-2H3,(H2,24,25,26,27)
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n/an/a 4.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7610
PNG
(2,4-bis anilino pyrimidine deriv. 6 | 2-N-{4-[3-(d...)
Show SMILES COc1ccccc1Nc1ccnc(Nc2ccc(OCC(O)CN(C)C)cc2)n1
Show InChI InChI=1S/C22H27N5O3/c1-27(2)14-17(28)15-30-18-10-8-16(9-11-18)24-22-23-13-12-21(26-22)25-19-6-4-5-7-20(19)29-3/h4-13,17,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 1.50E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7611
PNG
(2,4-bis anilino pyrimidine deriv. 7 | 4-N-(3-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-18(28)14-29-19-8-6-16(7-9-19)25-21-23-11-10-20(26-21)24-17-5-3-4-15(22)12-17/h3-12,18,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 5.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7612
PNG
(2,4-bis anilino pyrimidine deriv. 8 | 4-N-(4-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-18(28)14-29-19-9-7-17(8-10-19)25-21-23-12-11-20(26-21)24-16-5-3-15(22)4-6-16/h3-12,18,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7613
PNG
(2,4-bis anilino pyrimidine deriv. 9 | 2-N-{4-[3-(d...)
Show SMILES COc1ccc(Nc2ccnc(Nc3ccc(OCC(O)CN(C)C)cc3)n2)cc1
Show InChI InChI=1S/C22H27N5O3/c1-27(2)14-18(28)15-30-20-10-6-17(7-11-20)25-22-23-13-12-21(26-22)24-16-4-8-19(29-3)9-5-16/h4-13,18,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7614
PNG
(2,4-bis anilino pyrimidine deriv. 10 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(C)cc3)n2)cc1
Show InChI InChI=1S/C22H27N5O2/c1-16-4-6-17(7-5-16)24-21-12-13-23-22(26-21)25-18-8-10-20(11-9-18)29-15-19(28)14-27(2)3/h4-13,19,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7612
PNG
(2,4-bis anilino pyrimidine deriv. 8 | 4-N-(4-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-18(28)14-29-19-9-7-17(8-10-19)25-21-23-12-11-20(26-21)24-16-5-3-15(22)4-6-16/h3-12,18,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7613
PNG
(2,4-bis anilino pyrimidine deriv. 9 | 2-N-{4-[3-(d...)
Show SMILES COc1ccc(Nc2ccnc(Nc3ccc(OCC(O)CN(C)C)cc3)n2)cc1
Show InChI InChI=1S/C22H27N5O3/c1-27(2)14-18(28)15-30-20-10-6-17(7-11-20)25-22-23-13-12-21(26-22)24-16-4-8-19(29-3)9-5-16/h4-13,18,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 3.60E+4n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7614
PNG
(2,4-bis anilino pyrimidine deriv. 10 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccc(C)cc3)n2)cc1
Show InChI InChI=1S/C22H27N5O2/c1-16-4-6-17(7-5-16)24-21-12-13-23-22(26-21)25-18-8-10-20(11-9-18)29-15-19(28)14-27(2)3/h4-13,19,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 2.60E+4n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7624
PNG
(2,4-bis anilino pyrimidine deriv. 20 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(C)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C22H27N5O2/c1-16-13-23-22(26-21(16)24-17-7-5-4-6-8-17)25-18-9-11-20(12-10-18)29-15-19(28)14-27(2)3/h4-13,19,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 800n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7625
PNG
(2,4-bis anilino pyrimidine deriv. 21 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H24FN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 300n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7626
PNG
(2,4-bis anilino pyrimidine deriv. 22 | 5-chloro-2-...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 100n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7627
PNG
(2,4-bis anilino pyrimidine deriv. 23 | 5-bromo-2-N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 100n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7628
PNG
(2,4-bis anilino pyrimidine deriv. 24 | 5-bromo-2-N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(n2)N(CCCC(F)(F)F)c2ccccc2)cc1
Show InChI InChI=1S/C25H29BrF3N5O2/c1-33(2)16-20(35)17-36-21-11-9-18(10-12-21)31-24-30-15-22(26)23(32-24)34(14-6-13-25(27,28)29)19-7-4-3-5-8-19/h3-5,7-12,15,20,35H,6,13-14,16-17H2,1-2H3,(H,30,31,32)
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n/an/a 10n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7624
PNG
(2,4-bis anilino pyrimidine deriv. 20 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(C)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C22H27N5O2/c1-16-13-23-22(26-21(16)24-17-7-5-4-6-8-17)25-18-9-11-20(12-10-18)29-15-19(28)14-27(2)3/h4-13,19,28H,14-15H2,1-3H3,(H2,23,24,25,26)
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n/an/a 8.00E+3n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7625
PNG
(2,4-bis anilino pyrimidine deriv. 21 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(F)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H24FN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7626
PNG
(2,4-bis anilino pyrimidine deriv. 22 | 5-chloro-2-...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Cl)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 500n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7627
PNG
(2,4-bis anilino pyrimidine deriv. 23 | 5-bromo-2-N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H24BrN5O2/c1-27(2)13-17(28)14-29-18-10-8-16(9-11-18)25-21-23-12-19(22)20(26-21)24-15-6-4-3-5-7-15/h3-12,17,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 300n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM7628
PNG
(2,4-bis anilino pyrimidine deriv. 24 | 5-bromo-2-N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2ncc(Br)c(n2)N(CCCC(F)(F)F)c2ccccc2)cc1
Show InChI InChI=1S/C25H29BrF3N5O2/c1-33(2)16-20(35)17-36-21-11-9-18(10-12-21)31-24-30-15-22(26)23(32-24)34(14-6-13-25(27,28)29)19-7-4-3-5-8-19/h3-5,7-12,15,20,35H,6,13-14,16-17H2,1-2H3,(H,30,31,32)
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n/an/a 200n/an/an/an/an/an/a



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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7605
PNG
(2,4-bis anilino pyrimidine deriv. 1 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
Show InChI InChI=1S/C21H25N5O2/c1-26(2)14-18(27)15-28-19-10-8-17(9-11-19)24-21-22-13-12-20(25-21)23-16-6-4-3-5-7-16/h3-13,18,27H,14-15H2,1-2H3,(H2,22,23,24,25)
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n/an/a 3.20E+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 13: 3021-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00638-3
BindingDB Entry DOI: 10.7270/Q2610XJ5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7606
PNG
(2,4-bis anilino pyrimidine deriv. 2 | 2-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1
Show InChI InChI=1S/C21H24FN5O2/c1-27(2)13-16(28)14-29-17-9-7-15(8-10-17)24-21-23-12-11-20(26-21)25-19-6-4-3-5-18(19)22/h3-12,16,28H,13-14H2,1-2H3,(H2,23,24,25,26)
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n/an/a 1.00E+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 13: 2961-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00203-8
BindingDB Entry DOI: 10.7270/Q29S1P8K
More data for this
Ligand-Target Pair