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12 molecules are shown

Wt: 379.4
BDBM7605
Wt: 413.9
BDBM7611
Wt: 409.4
BDBM7613
Wt: 393.4
BDBM7614
Wt: 448.3
BDBM7615
Wt: 427.9
BDBM7617
Wt: 487.3
BDBM7619
Wt: 486.3
BDBM7620
Wt: 501.4
BDBM7621
Wt: 538.4
BDBM7622
Wt: 558.4
BDBM7623
Wt: 413.9
BDBM7626

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 7605,7611,7613,7614,7615,7617,7619,7620,7621,7622,7623,7626   
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 2


(Homo sapiens (human))
BDBM7615
PNG
(2,4-bis anilino pyrimidine deriv. 11 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1
Show InChI InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Rational Discovery LLC

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2


J Med Chem 48: 3313-8 (2005)


Article DOI: 10.1021/jm049066l
BindingDB Entry DOI: 10.7270/Q2F76DC7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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))
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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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))
BDBM7615
PNG
(2,4-bis anilino pyrimidine deriv. 11 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1
Show InChI InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)
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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))
BDBM7617
PNG
(2,4-bis anilino pyrimidine deriv. 13 | 4-N-(2-chlo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3Cl)n2)cc1
Show InChI InChI=1S/C22H26ClN5O2/c1-15-4-9-19(23)20(12-15)26-21-10-11-24-22(27-21)25-16-5-7-18(8-6-16)30-14-17(29)13-28(2)3/h4-12,17,29H,13-14H2,1-3H3,(H2,24,25,26,27)
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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))
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
CDK2/CycE


(Homo sapiens (human))
BDBM7615
PNG
(2,4-bis anilino pyrimidine deriv. 11 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1
Show InChI InChI=1S/C21H23Cl2N5O2/c1-28(2)12-16(29)13-30-17-6-4-15(5-7-17)25-21-24-10-9-20(27-21)26-19-11-14(22)3-8-18(19)23/h3-11,16,29H,12-13H2,1-2H3,(H2,24,25,26,27)
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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
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM7617
PNG
(2,4-bis anilino pyrimidine deriv. 13 | 4-N-(2-chlo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3Cl)n2)cc1
Show InChI InChI=1S/C22H26ClN5O2/c1-15-4-9-19(23)20(12-15)26-21-10-11-24-22(27-21)25-16-5-7-18(8-6-16)30-14-17(29)13-28(2)3/h4-12,17,29H,13-14H2,1-3H3,(H2,24,25,26,27)
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n/an/a 5.00E+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))
BDBM7619
PNG
(2,4-bis anilino pyrimidine deriv. 15 | 2-[(2,5-dic...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C23H24Cl2N6O2/c1-30(2)14-18(32)15-33-19-6-4-17(5-7-19)28-23-27-11-9-22(29-23)31(12-10-26)21-13-16(24)3-8-20(21)25/h3-9,11,13,18,32H,12,14-15H2,1-2H3,(H,27,28,29)
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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))
BDBM7620
PNG
(2,4-bis anilino pyrimidine deriv. 16 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#C)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C24H25Cl2N5O2/c1-4-13-31(22-14-17(25)5-10-21(22)26)23-11-12-27-24(29-23)28-18-6-8-20(9-7-18)33-16-19(32)15-30(2)3/h1,5-12,14,19,32H,13,15-16H2,2-3H3,(H,27,28,29)
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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))
BDBM7621
PNG
(2,4-bis anilino pyrimidine deriv. 17 | 3-[(2,5-dic...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CCC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C24H26Cl2N6O2/c1-31(2)15-19(33)16-34-20-7-5-18(6-8-20)29-24-28-12-10-23(30-24)32(13-3-11-27)22-14-17(25)4-9-21(22)26/h4-10,12,14,19,33H,3,13,15-16H2,1-2H3,(H,28,29,30)
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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))
BDBM7622
PNG
(2,4-bis anilino pyrimidine deriv. 18 | 4-N-benzyl-...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(Cc2ccccc2)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C28H29Cl2N5O2/c1-34(2)18-23(36)19-37-24-11-9-22(10-12-24)32-28-31-15-14-27(33-28)35(17-20-6-4-3-5-7-20)26-16-21(29)8-13-25(26)30/h3-16,23,36H,17-19H2,1-2H3,(H,31,32,33)
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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))
BDBM7623
PNG
(2,4-bis anilino pyrimidine deriv. 19 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CCCC(F)(F)F)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C25H28Cl2F3N5O2/c1-34(2)15-19(36)16-37-20-7-5-18(6-8-20)32-24-31-12-10-23(33-24)35(13-3-11-25(28,29)30)22-14-17(26)4-9-21(22)27/h4-10,12,14,19,36H,3,11,13,15-16H2,1-2H3,(H,31,32,33)
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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
CDK2/CycE


(Homo sapiens (human))
BDBM7619
PNG
(2,4-bis anilino pyrimidine deriv. 15 | 2-[(2,5-dic...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C23H24Cl2N6O2/c1-30(2)14-18(32)15-33-19-6-4-17(5-7-19)28-23-27-11-9-22(29-23)31(12-10-26)21-13-16(24)3-8-20(21)25/h3-9,11,13,18,32H,12,14-15H2,1-2H3,(H,27,28,29)
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n/an/a 700n/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))
BDBM7620
PNG
(2,4-bis anilino pyrimidine deriv. 16 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CC#C)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C24H25Cl2N5O2/c1-4-13-31(22-14-17(25)5-10-21(22)26)23-11-12-27-24(29-23)28-18-6-8-20(9-7-18)33-16-19(32)15-30(2)3/h1,5-12,14,19,32H,13,15-16H2,2-3H3,(H,27,28,29)
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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))
BDBM7621
PNG
(2,4-bis anilino pyrimidine deriv. 17 | 3-[(2,5-dic...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CCC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C24H26Cl2N6O2/c1-31(2)15-19(33)16-34-20-7-5-18(6-8-20)29-24-28-12-10-23(30-24)32(13-3-11-27)22-14-17(25)4-9-21(22)26/h4-10,12,14,19,33H,3,13,15-16H2,1-2H3,(H,28,29,30)
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n/an/a 3.00E+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))
BDBM7622
PNG
(2,4-bis anilino pyrimidine deriv. 18 | 4-N-benzyl-...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(Cc2ccccc2)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C28H29Cl2N5O2/c1-34(2)18-23(36)19-37-24-11-9-22(10-12-24)32-28-31-15-14-27(33-28)35(17-20-6-4-3-5-7-20)26-16-21(29)8-13-25(26)30/h3-16,23,36H,17-19H2,1-2H3,(H,31,32,33)
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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))
BDBM7623
PNG
(2,4-bis anilino pyrimidine deriv. 19 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)N(CCCC(F)(F)F)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1S/C25H28Cl2F3N5O2/c1-34(2)15-19(36)16-37-20-7-5-18(6-8-20)32-24-31-12-10-23(33-24)35(13-3-11-25(28,29)30)22-14-17(26)4-9-21(22)27/h4-10,12,14,19,36H,3,11,13,15-16H2,1-2H3,(H,31,32,33)
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n/an/a 1.20E+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))
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))
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))
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