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15 molecules are shown

Wt: 380.4
BDBM7658
Wt: 424.4
BDBM7659
Wt: 438.5
BDBM7660
Wt: 437.5
BDBM7661
Wt: 451.5
BDBM7662
Wt: 465.5
BDBM7663
Wt: 367.3
BDBM7671
Wt: 381.4
BDBM7672
Wt: 425.4
BDBM7673
Wt: 438.5
BDBM7674
Wt: 452.5
BDBM7675
Wt: 439.4
BDBM7676
Wt: 288.3
BDBM7677
Wt: 455.4
BDBM7678
Wt: 439.4
BDBM7679

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 7658,7659,7660,7661,7662,7663,7671,7672,7673,7674,7675,7676,7677,7678,7679   
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
CDK2/CycE


(Homo sapiens (human))
BDBM7658
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C18H16N6O2S/c1-19-27(25,26)14-7-5-13(6-8-14)22-18-20-10-9-15(23-18)16-12-21-17-4-2-3-11-24(16)17/h2-12,19H,1H3,(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 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 2


(Homo sapiens (human))
BDBM7674
PNG
(CHEMBL484571 | Imidazo[1,2-b]pyridazine deriv. 2d ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C20H22N8O2S/c1-27(2)13-12-24-31(29,30)16-7-5-15(6-8-16)25-20-21-11-9-17(26-20)18-14-22-19-4-3-10-23-28(18)19/h3-11,14,24H,12-13H2,1-2H3,(H,21,25,26)
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Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CDK2/CycE


(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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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
CDK2/CycE


(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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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
CDK2/CycE


(Homo sapiens (human))
BDBM7662
PNG
(N-[3-(dimethylamino)propyl]-4-[(4-{imidazo[1,2-a]p...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C22H25N7O2S/c1-28(2)14-5-12-25-32(30,31)18-9-7-17(8-10-18)26-22-23-13-11-19(27-22)20-16-24-21-6-3-4-15-29(20)21/h3-4,6-11,13,15-16,25H,5,12,14H2,1-2H3,(H,23,26,27)
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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 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
CDK2/CycE


(Homo sapiens (human))
BDBM7663
PNG
(N-[3-(dimethylamino)propyl]-4-[(4-{imidazo[1,2-a]p...)
Show SMILES CN(C)CCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C23H27N7O2S/c1-28(2)14-6-15-29(3)33(31,32)19-10-8-18(9-11-19)26-23-24-13-12-20(27-23)21-17-25-22-7-4-5-16-30(21)22/h4-5,7-13,16-17H,6,14-15H2,1-3H3,(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 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))
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



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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 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
CDK2/CycE


(Homo sapiens (human))
BDBM7671
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C16H13N7O2S/c17-26(24,25)12-5-3-11(4-6-12)21-16-18-9-7-13(22-16)14-10-19-15-2-1-8-20-23(14)15/h1-10H,(H2,17,24,25)(H,18,21,22)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7672
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7673
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C19H19N7O3S/c1-29-12-11-23-30(27,28)15-6-4-14(5-7-15)24-19-20-10-8-16(25-19)17-13-21-18-3-2-9-22-26(17)18/h2-10,13,23H,11-12H2,1H3,(H,20,24,25)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7674
PNG
(CHEMBL484571 | Imidazo[1,2-b]pyridazine deriv. 2d ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C20H22N8O2S/c1-27(2)13-12-24-31(29,30)16-7-5-15(6-8-16)25-20-21-11-9-17(26-20)18-14-22-19-4-3-10-23-28(18)19/h3-11,14,24H,12-13H2,1-2H3,(H,21,25,26)
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n/an/a 8n/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: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7675
PNG
(Imidazo[1,2-b]pyridazine deriv. 2e | N-[3-(dimethy...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM7676
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES COCCN(C)S(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C20H21N7O3S/c1-26(12-13-30-2)31(28,29)16-7-5-15(6-8-16)24-20-21-11-9-17(25-20)18-14-22-19-4-3-10-23-27(18)19/h3-11,14H,12-13H2,1-2H3,(H,21,24,25)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7677
PNG
(4-{imidazo[1,2-a]pyridazin-3-yl}-N-phenylpyrimidin...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnc2cccnn12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-13(21-16)14-11-18-15-7-4-9-19-22(14)15/h1-11H,(H,17,20,21)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7678
PNG
(Imidazo[1,2-b]pyridazine deriv. 4a | N-(2-methoxye...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(OC)nn23)cc1
Show InChI InChI=1S/C20H21N7O4S/c1-30-12-11-23-32(28,29)15-5-3-14(4-6-15)24-20-21-10-9-16(25-20)17-13-22-18-7-8-19(31-2)26-27(17)18/h3-10,13,23H,11-12H2,1-2H3,(H,21,24,25)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7679
PNG
(Imidazo[1,2-b]pyridazine deriv. 4b | N-(2-methoxye...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2c(C)nc3cccnn23)cc1
Show InChI InChI=1S/C20H21N7O3S/c1-14-19(27-18(24-14)4-3-10-22-27)17-9-11-21-20(26-17)25-15-5-7-16(8-6-15)31(28,29)23-12-13-30-2/h3-11,23H,12-13H2,1-2H3,(H,21,25,26)
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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 14: 2249-52 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.008
BindingDB Entry DOI: 10.7270/Q2XG9PCF
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7672
PNG
(4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1
Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7659
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H20N6O3S/c1-29-13-11-23-30(27,28)16-7-5-15(6-8-16)24-20-21-10-9-17(25-20)18-14-22-19-4-2-3-12-26(18)19/h2-10,12,14,23H,11,13H2,1H3,(H,21,24,25)
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n/an/a<12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 18: 5487-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.024
BindingDB Entry DOI: 10.7270/Q2J9667K
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CDK2/CycE


(Homo sapiens (human))
BDBM7659
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H20N6O3S/c1-29-13-11-23-30(27,28)16-7-5-15(6-8-16)24-20-21-10-9-17(25-20)18-14-22-19-4-2-3-12-26(18)19/h2-10,12,14,23H,11,13H2,1H3,(H,21,24,25)
PDB

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/a 12n/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