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Compile Data Set for Download or QSAR

Found 336 hits of ph data with Target = 'Cyclin-Dependent Kinase 4 (CDK4)'   
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
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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PubMed
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7641
PNG
(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(N)n1
Show InChI InChI=1S/C12H11N5/c1-8-11(9-5-6-14-12(13)16-9)17-7-3-2-4-10(17)15-8/h2-7H,1H3,(H2,13,14,16)
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PubMed
n/an/a 8.00E+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))
BDBM7642
PNG
(Imidazo[1,2-a]pyridine deriv. 2 | N-(4-{2-methylim...)
Show SMILES CC(=O)Nc1nccc(n1)-c1c(C)nc2ccccn12
Show InChI InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)
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n/an/a 8.90E+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))
BDBM7643
PNG
(2,2,2-trifluoro-N-(4-{2-methylimidazo[1,2-a]pyridi...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(NC(=O)C(F)(F)F)n1
Show InChI InChI=1S/C14H10F3N5O/c1-8-11(22-7-3-2-4-10(22)19-8)9-5-6-18-13(20-9)21-12(23)14(15,16)17/h2-7H,1H3,(H,18,20,21,23)
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n/an/a 4.00E+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))
BDBM7644
PNG
(3-(4-{2-methylimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES Cc1nc2ccccn2c1-c1ccnc(NC(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C19H16N6O/c1-13-17(25-12-6-5-9-16(25)21-13)15-10-11-20-18(23-15)24-19(26)22-14-7-3-2-4-8-14/h2-12H,1H3,(H2,20,22,23,24,26)
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n/an/a>1.00E+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))
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 3.60E+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))
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=1S/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 150n/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))
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 2.50E+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))
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))
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 2.70E+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))
BDBM7660
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES COCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C21H22N6O3S/c1-30-14-4-11-24-31(28,29)17-8-6-16(7-9-17)25-21-22-12-10-18(26-21)19-15-23-20-5-2-3-13-27(19)20/h2-3,5-10,12-13,15,24H,4,11,14H2,1H3,(H,22,25,26)
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n/an/a 3.10E+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 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM7661
PNG
(N-[2-(dimethylamino)ethyl]-4-[(4-{imidazo[1,2-a]py...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C21H23N7O2S/c1-27(2)14-12-24-31(29,30)17-8-6-16(7-9-17)25-21-22-11-10-18(26-21)19-15-23-20-5-3-4-13-28(19)20/h3-11,13,15,24H,12,14H2,1-2H3,(H,22,25,26)
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n/an/a 260n/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 14: 2245-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.015
BindingDB Entry DOI: 10.7270/Q22805TT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6770
PNG
(3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H17N3O3/c27-11-5-10-26-15-9-4-2-7-13(15)17-19-18(22(28)25-23(19)29)16-12-6-1-3-8-14(12)24-20(16)21(17)26/h1-4,6-9,24,27H,5,10-11H2,(H,25,28,29)
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n/an/a 70n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6771
PNG
(3-(1H-indol-3-yl)-4-{1-[3-(methylamino)propyl]-1H-...)
Show SMILES CNCCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H22N4O2/c1-25-11-6-12-28-14-18(16-8-3-5-10-20(16)28)22-21(23(29)27-24(22)30)17-13-26-19-9-4-2-7-15(17)19/h2-5,7-10,13-14,25-26H,6,11-12H2,1H3,(H,27,29,30)
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n/an/a 960n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6772
PNG
(3-[3-(methylamino)propyl]-3,13,23-triazahexacyclo[...)
Show SMILES CNCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C24H20N4O2/c1-25-11-6-12-28-16-10-5-3-8-14(16)18-20-19(23(29)27-24(20)30)17-13-7-2-4-9-15(13)26-21(17)22(18)28/h2-5,7-10,25-26H,6,11-12H2,1H3,(H,27,29,30)
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n/an/a 50n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2683
PNG
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)
Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 990n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2684
PNG
(3-[3-(dimethylamino)propyl]-3,13,23-triazahexacycl...)
Show SMILES CN(C)CCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C25H22N4O2/c1-28(2)12-7-13-29-17-11-6-4-9-15(17)19-21-20(24(30)27-25(21)31)18-14-8-3-5-10-16(14)26-22(18)23(19)29/h3-6,8-11,26H,7,12-13H2,1-2H3,(H,27,30,31)
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n/an/a 130n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2590
PNG
((Arylindolyl)maleimide deriv. 12 | 3-(1H-indol-3-y...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12
Show InChI InChI=1S/C21H15N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-18(20(25)23-21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22H,1H3,(H,23,25,26)
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n/an/a 1.25E+3n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6776
PNG
(3-methyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C21H13N3O2/c1-24-13-9-5-3-7-11(13)15-17-16(20(25)23-21(17)26)14-10-6-2-4-8-12(10)22-18(14)19(15)24/h2-9,22H,1H3,(H,23,25,26)
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n/an/a 80n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6777
PNG
(3,4-bis(6-methoxy-1H-indol-3-yl)-2,5-dihydro-1H-py...)
Show SMILES COc1ccc2c(c[nH]c2c1)C1=C(C(=O)NC1=O)c1c[nH]c2cc(OC)ccc12
Show InChI InChI=1S/C22H17N3O4/c1-28-11-3-5-13-15(9-23-17(13)7-11)19-20(22(27)25-21(19)26)16-10-24-18-8-12(29-2)4-6-14(16)18/h3-10,23-24H,1-2H3,(H,25,26,27)
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n/an/a 4.64E+3n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6778
PNG
(6,20-dimethoxy-3,13,23-triazahexacyclo[14.7.0.0^{2...)
Show SMILES COc1ccc2c(c1)[nH]c1c3[nH]c4cc(OC)ccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C22H15N3O4/c1-28-9-3-5-11-13(7-9)23-19-15(11)17-18(22(27)25-21(17)26)16-12-6-4-10(29-2)8-14(12)24-20(16)19/h3-8,23-24H,1-2H3,(H,25,26,27)
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n/an/a 180n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2591
PNG
((Arylindolyl)maleimide deriv. 13 | 3,4-bis(1-methy...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)
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n/an/a 890n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6780
PNG
(3-[1-(2,3-dihydroxypropyl)-1H-indol-3-yl]-4-(1-met...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-26-11-17(15-6-2-4-8-19(15)26)21-22(24(31)25-23(21)30)18-12-27(10-14(29)13-28)20-9-5-3-7-16(18)20/h2-9,11-12,14,28-29H,10,13H2,1H3,(H,25,30,31)
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n/an/a 2.14E+3n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6781
PNG
(3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahe...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CC(O)CO)c3c12
Show InChI InChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31)
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n/an/a 260n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 59n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 140n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6782
PNG
(3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3cc[nH]c3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-10-3-1-2-4-12(10)22-18(13)11-6-5-9-7-8-21-17(9)14(11)16(15)20(25)23-19/h1-8,21-22H,(H,23,24,25)
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n/an/a 36n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6783
PNG
(18-methyl-3,13,18-triazahexacyclo[14.7.0.0^{2,10}....)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H13N3O2/c1-24-9-8-10-6-7-12-15(19(10)24)17-16(20(25)23-21(17)26)14-11-4-2-3-5-13(11)22-18(12)14/h2-9,22H,1H3,(H,23,25,26)
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n/an/a 47n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6784
PNG
(18-ethyl-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES CCn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C22H15N3O2/c1-2-25-10-9-11-7-8-13-16(20(11)25)18-17(21(26)24-22(18)27)15-12-5-3-4-6-14(12)23-19(13)15/h3-10,23H,2H2,1H3,(H,24,26,27)
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n/an/a 59n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6785
PNG
(8-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0....)
Show SMILES Cn1ccc2ccc3c4[nH]c5cccc(F)c5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-8-7-9-5-6-10-13(19(9)25)16-17(21(27)24-20(16)26)15-14-11(22)3-2-4-12(14)23-18(10)15/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 71n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6786
PNG
(8-bromo-18-methyl-3,13,18-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cccc(Br)c5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-8-7-9-5-6-10-13(19(9)25)16-17(21(27)24-20(16)26)15-14-11(22)3-2-4-12(14)23-18(10)15/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 171n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6787
PNG
(8-(hydroxymethyl)-18-methyl-3,13,18-triazahexacycl...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cccc(CO)c5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-5-6-12-15(20(10)25)17-18(22(28)24-21(17)27)16-14-11(9-26)3-2-4-13(14)23-19(12)16/h2-8,23,26H,9H2,1H3,(H,24,27,28)
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n/an/a 155n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6788
PNG
(8-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES COc1cccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c12
Show InChI InChI=1S/C22H15N3O3/c1-25-9-8-10-6-7-11-14(20(10)25)17-18(22(27)24-21(17)26)16-15-12(23-19(11)16)4-3-5-13(15)28-2/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a>2.00E+3n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6789
PNG
(7-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0....)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccc(F)cc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-2-4-11-15(19(9)25)17-16(20(26)24-21(17)27)14-12-8-10(22)3-5-13(12)23-18(11)14/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 84n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6790
PNG
(7-bromo-18-methyl-3,13,18-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccc(Br)cc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-7-6-9-2-4-11-15(19(9)25)17-16(20(26)24-21(17)27)14-12-8-10(22)3-5-13(12)23-18(11)14/h2-8,23H,1H3,(H,24,26,27)
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n/an/a>2.00E+3n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6791
PNG
(18-methyl-7-(trifluoromethyl)-3,13,18-triazahexacy...)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccc(cc5c4c4C(=O)NC(=O)c4c3c12)C(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c1-28-7-6-9-2-4-11-15(19(9)28)17-16(20(29)27-21(17)30)14-12-8-10(22(23,24)25)3-5-13(12)26-18(11)14/h2-8,26H,1H3,(H,27,29,30)
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n/an/a>2.00E+3n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6792
PNG
(7,18-dimethyl-3,13,18-triazahexacyclo[14.7.0.0^{2,...)
Show SMILES Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1
Show InChI InChI=1S/C22H15N3O2/c1-10-3-6-14-13(9-10)15-17-18(22(27)24-21(17)26)16-12(19(15)23-14)5-4-11-7-8-25(2)20(11)16/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 393n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6793
PNG
(7-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES COc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-3-5-12-16(20(10)25)18-17(21(26)24-22(18)27)15-13-9-11(28-2)4-6-14(13)23-19(12)15/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 519n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6794
PNG
(6-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0....)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(F)ccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-2-4-12-15(19(9)25)17-16(20(26)24-21(17)27)14-11-5-3-10(22)8-13(11)23-18(12)14/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 38n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6795
PNG
(6-bromo-18-methyl-3,13,18-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(Br)ccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-7-6-9-2-4-12-15(19(9)25)17-16(20(26)24-21(17)27)14-11-5-3-10(22)8-13(11)23-18(12)14/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 38n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6796
PNG
(18-methyl-6-(trifluoromethyl)-3,13,18-triazahexacy...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c1-28-7-6-9-2-4-12-15(19(9)28)17-16(20(29)27-21(17)30)14-11-5-3-10(22(23,24)25)8-13(11)26-18(12)14/h2-8,26H,1H3,(H,27,29,30)
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n/an/a 76n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6797
PNG
(18-methyl-12,14-dioxo-3,13,18-triazahexacyclo[14.7...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C#N
Show InChI InChI=1S/C22H12N4O2/c1-26-7-6-11-3-5-13-16(20(11)26)18-17(21(27)25-22(18)28)15-12-4-2-10(9-23)8-14(12)24-19(13)15/h2-8,24H,1H3,(H,25,27,28)
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n/an/a 29n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP....


Bioorg Med Chem Lett 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 160n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6858
PNG
(8-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C20H10BrN3O2/c21-9-5-3-7-11-13(9)14-16-15(19(25)24-20(16)26)12-8-4-1-2-6-10(8)22-17(12)18(14)23-11/h1-7,22-23H,(H,24,25,26)
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n/an/a 80n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6859
PNG
(7-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
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n/an/a 4.40E+3n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6860
PNG
(6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
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n/an/a 76n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
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n/an/a 1.62E+4n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6768
PNG
(20-bromo-3-methyl-3,13,23-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(Br)cc4[nH]c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 74n/an/an/an/a7.022



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
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