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7 similar compounds to monomer 7593

Compile data set for download or QSAR
Wt: 379.4
BDBM7589
Wt: 448.3
BDBM7597
Wt: 413.9
BDBM7607
Wt: 448.3
BDBM7615
Wt: 413.9
BDBM7635
Wt: 409.4
BDBM7636
Wt: 427.9
BDBM7640

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 7589,7597,7607,7615,7635,7636,7640   
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))
BDBM7589
PNG
(4,6-bis anilino pyrimidine deriv. 2 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
Show InChI InChI=1/C21H25N5O2/c1-26(2)13-18(27)14-28-19-10-8-17(9-11-19)25-21-12-20(22-15-23-21)24-16-6-4-3-5-7-16/h3-12,15,18,27H,13-14H2,1-2H3,(H2,22,23,24,25)
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n/an/a 3.30E+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: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
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=1/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))
BDBM7589
PNG
(4,6-bis anilino pyrimidine deriv. 2 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1
Show InChI InChI=1/C21H25N5O2/c1-26(2)13-18(27)14-28-19-10-8-17(9-11-19)25-21-12-20(22-15-23-21)24-16-6-4-3-5-7-16/h3-12,15,18,27H,13-14H2,1-2H3,(H2,22,23,24,25)
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n/an/a>1.00E+5n/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: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM7597
PNG
(4,6-bis anilino pyrimidine deriv. 10 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1
Show InChI InChI=1/C21H23Cl2N5O2/c1-28(2)11-16(29)12-30-17-6-4-15(5-7-17)26-20-10-21(25-13-24-20)27-19-9-14(22)3-8-18(19)23/h3-10,13,16,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 2.20E+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: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
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=1/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
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=1/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
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=1/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
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=1/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))
BDBM7635
PNG
(4,6 bis anilino pyrimidine deriv. 8 | 4-N-(4-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1
Show InChI InChI=1/C21H24ClN5O2/c1-27(2)12-18(28)13-29-19-9-7-17(8-10-19)26-21-11-20(23-14-24-21)25-16-5-3-15(22)4-6-16/h3-11,14,18,28H,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/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))
BDBM7636
PNG
(4,6 bis anilino pyrimidine deriv. 9 | 4-N-{4-[3-(d...)
Show SMILES COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1
Show InChI InChI=1/C22H27N5O3/c1-27(2)13-18(28)14-30-20-10-6-17(7-11-20)26-22-12-21(23-15-24-22)25-16-4-8-19(29-3)9-5-16/h4-12,15,18,28H,13-14H2,1-3H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/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))
BDBM7640
PNG
(4,6 bis anilino pyrimidine deriv. 13 | 4-N-(2-chlo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C)ccc3Cl)ncn2)cc1
Show InChI InChI=1/C22H26ClN5O2/c1-15-4-9-19(23)20(10-15)27-22-11-21(24-14-25-22)26-16-5-7-18(8-6-16)30-13-17(29)12-28(2)3/h4-11,14,17,29H,12-13H2,1-3H3,(H2,24,25,26,27)
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n/an/a 2.20E+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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7635
PNG
(4,6 bis anilino pyrimidine deriv. 8 | 4-N-(4-chlor...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)cc1
Show InChI InChI=1/C21H24ClN5O2/c1-27(2)12-18(28)13-29-19-9-7-17(8-10-19)26-21-11-20(23-14-24-21)25-16-5-3-15(22)4-6-16/h3-11,14,18,28H,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a 4.10E+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))
BDBM7636
PNG
(4,6 bis anilino pyrimidine deriv. 9 | 4-N-{4-[3-(d...)
Show SMILES COc1ccc(Nc2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)cc1
Show InChI InChI=1/C22H27N5O3/c1-27(2)13-18(28)14-30-20-10-6-17(7-11-20)26-22-12-21(23-15-24-22)25-16-4-8-19(29-3)9-5-16/h4-12,15,18,28H,13-14H2,1-3H3,(H2,23,24,25,26)
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n/an/a 5.70E+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))
BDBM7640
PNG
(4,6 bis anilino pyrimidine deriv. 13 | 4-N-(2-chlo...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(C)ccc3Cl)ncn2)cc1
Show InChI InChI=1/C22H26ClN5O2/c1-15-4-9-19(23)20(10-15)27-22-11-21(24-14-25-22)26-16-5-7-18(8-6-16)30-13-17(29)12-28(2)3/h4-11,14,17,29H,12-13H2,1-3H3,(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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7597
PNG
(4,6-bis anilino pyrimidine deriv. 10 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1
Show InChI InChI=1/C21H23Cl2N5O2/c1-28(2)11-16(29)12-30-17-6-4-15(5-7-17)26-20-10-21(25-13-24-20)27-19-9-14(22)3-8-18(19)23/h3-10,13,16,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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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: 2955-60 (2003)


Article DOI: 10.1016/s0960-894x(03)00202-6
BindingDB Entry DOI: 10.7270/Q2FJ2F1R
More data for this
Ligand-Target Pair