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5 similar compounds to monomer 7639

Compile data set for download or QSAR
Wt: 415.4
BDBM7588
Wt: 397.4
BDBM7592
Wt: 415.4
BDBM7598
Wt: 465.4
BDBM7599
Wt: 411.4
BDBM7616

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 7588,7592,7598,7599,7616   
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))
BDBM7588
PNG
(4,6-bis anilino pyrimidine deriv. 1 | 4-N-(2,4-dif...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1
Show InChI InChI=1/C21H23F2N5O2/c1-28(2)11-16(29)12-30-17-6-4-15(5-7-17)26-20-10-21(25-13-24-20)27-19-8-3-14(22)9-18(19)23/h3-10,13,16,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 1.50E+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: 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))
BDBM7592
PNG
(4,6-bis anilino pyrimidine deriv. 5 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3F)ncn2)cc1
Show InChI InChI=1/C21H24FN5O2/c1-27(2)12-16(28)13-29-17-9-7-15(8-10-17)25-20-11-21(24-14-23-20)26-19-6-4-3-5-18(19)22/h3-11,14,16,28H,12-13H2,1-2H3,(H2,23,24,25,26)
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n/an/a 2.70E+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 4 (CDK4)


(Homo sapiens (Human))
BDBM7598
PNG
(4,6-bis anilino pyrimidine deriv. 11 | 4-N-(2,6-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1
Show InChI InChI=1/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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n/an/a 9.00E+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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7599
PNG
(4,6-bis anilino pyrimidine deriv. 12 | 4-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(ccc3F)C(F)(F)F)ncn2)cc1
Show InChI InChI=1/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)
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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: 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))
BDBM7616
PNG
(2,4-bis anilino pyrimidine deriv. 12 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3F)n2)cc1
Show InChI InChI=1/C22H26FN5O2/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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PubMed
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))
BDBM7592
PNG
(4,6-bis anilino pyrimidine deriv. 5 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3F)ncn2)cc1
Show InChI InChI=1/C21H24FN5O2/c1-27(2)12-16(28)13-29-17-9-7-15(8-10-17)25-20-11-21(24-14-23-20)26-19-6-4-3-5-18(19)22/h3-11,14,16,28H,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: 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))
BDBM7598
PNG
(4,6-bis anilino pyrimidine deriv. 11 | 4-N-(2,6-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1
Show InChI InChI=1/C21H23F2N5O2/c1-28(2)11-15(29)12-30-16-8-6-14(7-9-16)26-19-10-20(25-13-24-19)27-21-17(22)4-3-5-18(21)23/h3-10,13,15,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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Article
PubMed
n/an/a 3.80E+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: 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
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7599
PNG
(4,6-bis anilino pyrimidine deriv. 12 | 4-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(ccc3F)C(F)(F)F)ncn2)cc1
Show InChI InChI=1/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)
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PC sid
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Article
PubMed
n/an/a 3.50E+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
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7616
PNG
(2,4-bis anilino pyrimidine deriv. 12 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(C)ccc3F)n2)cc1
Show InChI InChI=1/C22H26FN5O2/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 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))
BDBM7588
PNG
(4,6-bis anilino pyrimidine deriv. 1 | 4-N-(2,4-dif...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccc(F)cc3F)ncn2)cc1
Show InChI InChI=1/C21H23F2N5O2/c1-28(2)11-16(29)12-30-17-6-4-15(5-7-17)26-20-10-21(25-13-24-20)27-19-8-3-14(22)9-18(19)23/h3-10,13,16,29H,11-12H2,1-2H3,(H2,24,25,26,27)
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Article
PubMed
n/an/a 9.30E+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