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Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'breault' and Initial = 'ga'   
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
CDK2/CycE


(Homo sapiens (Human))
BDBM7647
PNG
(4-[(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C18H16N6O2S/c1-12-17(24-11-3-2-4-16(24)21-12)15-9-10-20-18(23-15)22-13-5-7-14(8-6-13)27(19,25)26/h2-11H,1H3,(H2,19,25,26)(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 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
CDK2/CycE


(Homo sapiens (Human))
BDBM7649
PNG
(2,4-bisanilinopyrimidine deriv. 9 | 4-({4-[(2-fluo...)
Show SMILES Cc1ccc(F)c(Nc2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)c1
Show InChI InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23)
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n/an/a 6n/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))
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=1/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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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))
BDBM7646
PNG
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
Show InChI InChI=1/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)
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n/an/a 32n/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
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM7645
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyr...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H15N5/c1-13-17(23-12-6-5-9-16(23)20-13)15-10-11-19-18(22-15)21-14-7-3-2-4-8-14/h2-12H,1H3,(H,19,21,22)
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n/an/a 36n/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))
BDBM7600
PNG
(2-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C23H24Cl2N6O2/c1-30(2)13-18(32)14-33-19-6-4-17(5-7-19)29-22-12-23(28-15-27-22)31(10-9-26)21-11-16(24)3-8-20(21)25/h3-8,11-12,15,18,32H,10,13-14H2,1-2H3,(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: 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))
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=1/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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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=1/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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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))
BDBM7604
PNG
(2-[(2-bromo-4-methylphenyl)[6-({4-[3-(dimethylamin...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2ccc(C)cc2Br)cc1
Show InChI InChI=1/C24H27BrN6O2/c1-17-4-9-22(21(25)12-17)31(11-10-26)24-13-23(27-16-28-24)29-18-5-7-20(8-6-18)33-15-19(32)14-30(2)3/h4-9,12-13,16,19,32H,11,14-15H2,1-3H3,(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: 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))
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=1/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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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))
BDBM7646
PNG
(CHEMBL102926 | Imidazo[1,2-a]pyridine deriv. 6 | N...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
Show InChI InChI=1/C23H26N6O2/c1-16-22(29-13-5-4-6-21(29)25-16)20-11-12-24-23(27-20)26-17-7-9-19(10-8-17)31-15-18(30)14-28(2)3/h4-13,18,30H,14-15H2,1-3H3,(H,24,26,27)
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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: 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
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=1/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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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=1/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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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=1/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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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=1/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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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)
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=1/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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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=1/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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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=1/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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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))
BDBM7601
PNG
(3-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CCC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C24H26Cl2N6O2/c1-31(2)14-19(33)15-34-20-7-5-18(6-8-20)30-23-13-24(29-16-28-23)32(11-3-10-27)22-12-17(25)4-9-21(22)26/h4-9,12-13,16,19,33H,3,11,14-15H2,1-2H3,(H,28,29,30)
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n/an/a 500n/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))
BDBM7618
PNG
(2,4-bis anilino pyrimidine deriv. 14 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(ccc3F)C(F)(F)F)n2)cc1
Show InChI InChI=1/C22H23F4N5O2/c1-31(2)12-16(32)13-33-17-6-4-15(5-7-17)28-21-27-10-9-20(30-21)29-19-11-14(22(24,25)26)3-8-18(19)23/h3-11,16,32H,12-13H2,1-2H3,(H2,27,28,29,30)
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n/an/a 600n/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
Glutamate racemase


(Enterococcus faecalis)
BDBM50245790
PNG
(4-amino-2-(butylthio)-8-(3,4-dichlorobenzyl)pterid...)
Show SMILES CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2n1
Show InChI InChI=1S/C17H17Cl2N5O2S/c1-2-3-6-27-17-22-13(20)12-14(23-17)24(16(26)15(25)21-12)8-9-4-5-10(18)11(19)7-9/h4-5,7H,2-3,6,8H2,1H3,(H,21,25)(H2,20,22,23)
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n/an/a 650n/an/an/an/a8.0n/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLC


Bioorg Med Chem Lett 18: 6100-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.022
BindingDB Entry DOI: 10.7270/Q2W66KM4
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=1/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
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7602
PNG
(4,6-bis anilino pyrimidine deriv. 15 | 4-N-(2,5-di...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#C)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C24H25Cl2N5O2/c1-4-11-31(22-12-17(25)5-10-21(22)26)24-13-23(27-16-28-24)29-18-6-8-20(9-7-18)33-15-19(32)14-30(2)3/h1,5-10,12-13,16,19,32H,11,14-15H2,2-3H3,(H,27,28,29)
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n/an/a 800n/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))
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
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=1/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
Glutamate racemase


(Enterococcus faecalis)
BDBM50245948
PNG
(2-(butylthio)-8-(4-fluorobenzyl)-4-(methylamino)pt...)
Show SMILES CCCCSc1nc(NC)c2[nH]c(=O)c(=O)n(Cc3ccc(F)cc3)c2n1
Show InChI InChI=1S/C18H20FN5O2S/c1-3-4-9-27-18-22-14(20-2)13-15(23-18)24(17(26)16(25)21-13)10-11-5-7-12(19)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,21,25)(H,20,22,23)
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n/an/a 900n/an/an/an/a8.0n/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLC


Bioorg Med Chem Lett 18: 6100-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.022
BindingDB Entry DOI: 10.7270/Q2W66KM4
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=1/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))
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=1/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
CDK2/CycE


(Homo sapiens (Human))
BDBM7618
PNG
(2,4-bis anilino pyrimidine deriv. 14 | 2-N-{4-[3-(...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(ccc3F)C(F)(F)F)n2)cc1
Show InChI InChI=1/C22H23F4N5O2/c1-31(2)12-16(32)13-33-17-6-4-15(5-7-17)28-21-27-10-9-20(30-21)29-19-11-14(22(24,25)26)3-8-18(19)23/h3-11,16,32H,12-13H2,1-2H3,(H2,27,28,29,30)
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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))
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
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=1/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))
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
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=1/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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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))
BDBM7600
PNG
(2-[(2,5-dichlorophenyl)[6-({4-[3-(dimethylamino)-2...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(ncn2)N(CC#N)c2cc(Cl)ccc2Cl)cc1
Show InChI InChI=1/C23H24Cl2N6O2/c1-30(2)13-18(32)14-33-19-6-4-17(5-7-19)29-22-12-23(28-15-27-22)31(10-9-26)21-11-16(24)3-8-20(21)25/h3-8,11-12,15,18,32H,10,13-14H2,1-2H3,(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: 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))
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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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)
Glutamate racemase


(Enterococcus faecalis)
BDBM50245949
PNG
(2-(butylthio)-4-(dimethylamino)-8-(4-fluorobenzyl)...)
Show SMILES CCCCSc1nc(N(C)C)c2[nH]c(=O)c(=O)n(Cc3ccc(F)cc3)c2n1
Show InChI InChI=1S/C19H22FN5O2S/c1-4-5-10-28-19-22-15(24(2)3)14-16(23-19)25(18(27)17(26)21-14)11-12-6-8-13(20)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,21,26)
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n/an/a 1.10E+3n/an/an/an/a8.0n/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLC


Bioorg Med Chem Lett 18: 6100-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.022
BindingDB Entry DOI: 10.7270/Q2W66KM4
More data for this
Ligand-Target Pair
Glutamate racemase


(Enterococcus faecalis)
BDBM50245789
PNG
(4-amino-2-(butylthio)-8-(2,6-difluorobenzyl)pterid...)
Show SMILES CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3c(F)cccc3F)c2n1
Show InChI InChI=1S/C17H17F2N5O2S/c1-2-3-7-27-17-22-13(20)12-14(23-17)24(16(26)15(25)21-12)8-9-10(18)5-4-6-11(9)19/h4-6H,2-3,7-8H2,1H3,(H,21,25)(H2,20,22,23)
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n/an/a 1.50E+3n/an/an/an/a8.0n/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLC


Bioorg Med Chem Lett 18: 6100-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.022
BindingDB Entry DOI: 10.7270/Q2W66KM4
More data for this
Ligand-Target Pair
Glutamate racemase


(Enterococcus faecalis)
BDBM50245788
PNG
(4-amino-2-(butylthio)-8-(3,5-dimethoxybenzyl)pteri...)
Show SMILES CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3cc(OC)cc(OC)c3)c2n1
Show InChI InChI=1S/C19H23N5O4S/c1-4-5-6-29-19-22-15(20)14-16(23-19)24(18(26)17(25)21-14)10-11-7-12(27-2)9-13(8-11)28-3/h7-9H,4-6,10H2,1-3H3,(H,21,25)(H2,20,22,23)
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n/an/a 1.70E+3n/an/an/an/a8.0n/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLC


Bioorg Med Chem Lett 18: 6100-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.022
BindingDB Entry DOI: 10.7270/Q2W66KM4
More data for this
Ligand-Target Pair
Glutamate racemase


(Enterococcus faecalis)
BDBM50246530
PNG
(4-amino-8-benzyl-2-(cyclopentylthio)pteridine-6,7(...)
Show SMILES Nc1nc(SC2CCCC2)nc2n(Cc3ccccc3)c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C18H19N5O2S/c19-14-13-15(22-18(21-14)26-12-8-4-5-9-12)23(17(25)16(24)20-13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,20,24)(H2,19,21,22)
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n/an/a 1.90E+3n/an/an/an/a8.0n/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Enterococcus faecalis murI assessed as effect on conversion of D-glutamate to L-glutamate at pH 8.0 by HPLC


Bioorg Med Chem Lett 18: 6100-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.022
BindingDB Entry DOI: 10.7270/Q2W66KM4
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=1/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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM7596
PNG
(4,6-bis anilino pyrimidine deriv. 9 | 4-N-{4-[3-(d...)
Show SMILES CN(C)CC(O)COc1ccc(Nc2cc(Nc3ccccc3N(=O)=O)ncn2)cc1
Show InChI InChI=1/C21H24N6O4/c1-26(2)12-16(28)13-31-17-9-7-15(8-10-17)24-20-11-21(23-14-22-20)25-18-5-3-4-6-19(18)27(29)30/h3-11,14,16,28H,12-13H2,1-2H3,(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: 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))
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=1/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
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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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))
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=1/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
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=1/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))
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=1/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))
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=1/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))
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=1/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))
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=1/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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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
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