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Compile Data Set for Download or QSAR

Found 315 hits of ph data with Target = 'CDK2/CycE'   
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))
BDBM12611
PNG
(2,4-Diamino-5-ketopyrimidine 29 | 2-N-(1-methanesu...)
Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
Show InChI InChI=1S/C18H23N5O4S/c1-27-15-6-4-3-5-13(15)16(24)14-11-20-18(22-17(14)19)21-12-7-9-23(10-8-12)28(2,25)26/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22)
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PubMed
24 -45.2n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12609
PNG
(1-[4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimi...)
Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(CC2)C(C)=O)nc1N
Show InChI InChI=1S/C19H23N5O3/c1-12(25)24-9-7-13(8-10-24)22-19-21-11-15(18(20)23-19)17(26)14-5-3-4-6-16(14)27-2/h3-6,11,13H,7-10H2,1-2H3,(H3,20,21,22,23)
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PubMed
327 -38.5n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12608
PNG
(2,4-Diamino-5-ketopyrimidine 26 | 4-[4-Amino-5-(2-...)
Show SMILES CCOC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
Show InChI InChI=1S/C20H25N5O4/c1-3-29-20(27)25-10-8-13(9-11-25)23-19-22-12-15(18(21)24-19)17(26)14-6-4-5-7-16(14)28-2/h4-7,12-13H,3,8-11H2,1-2H3,(H3,21,22,23,24)
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597 -37.0n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12610
PNG
(1-[4-({4-amino-5-[(2-methoxyphenyl)carbonyl]pyrimi...)
Show SMILES CCCC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
Show InChI InChI=1S/C21H27N5O3/c1-3-6-18(27)26-11-9-14(10-12-26)24-21-23-13-16(20(22)25-21)19(28)15-7-4-5-8-17(15)29-2/h4-5,7-8,13-14H,3,6,9-12H2,1-2H3,(H3,22,23,24,25)
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886 -35.9n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12607
PNG
(2,4-Diamino-5-ketopyrimidine 25 | 4-({4-amino-5-[(...)
Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(C(=O)c2ccccc2OC)c(N)n1
Show InChI InChI=1S/C20H26N6O3/c1-3-22-20(28)26-10-8-13(9-11-26)24-19-23-12-15(18(21)25-19)17(27)14-6-4-5-7-16(14)29-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,28)(H3,21,23,24,25)
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PubMed
1.76E+3 -34.2n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12604
PNG
(2,4-Diamino-5-ketopyrimidine 22 | 5-[(2-methoxyphe...)
Show SMILES COc1ccccc1C(=O)c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
Show InChI InChI=1S/C23H26N6O2/c1-28-11-13-29(14-12-28)17-9-7-16(8-10-17)26-23-25-15-19(22(24)27-23)21(30)18-5-3-4-6-20(18)31-2/h3-10,15H,11-14H2,1-2H3,(H3,24,25,26,27)
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PubMed
5.14E+3 -31.4n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12605
PNG
(2,4-Diamino-5-ketopyrimidine 23 | 5-[(2-methoxyphe...)
Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCNCC2)nc1N
Show InChI InChI=1S/C17H21N5O2/c1-24-14-5-3-2-4-12(14)15(23)13-10-20-17(22-16(13)18)21-11-6-8-19-9-7-11/h2-5,10-11,19H,6-9H2,1H3,(H3,18,20,21,22)
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PubMed
6.27E+3 -30.9n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12606
PNG
(2,4-Diamino-5-ketopyrimidine 24 | 5-[(2-methoxyphe...)
Show SMILES COc1ccccc1C(=O)c1cnc(NC2CCN(C)CC2)nc1N
Show InChI InChI=1S/C18H23N5O2/c1-23-9-7-12(8-10-23)21-18-20-11-14(17(19)22-18)16(24)13-5-3-4-6-15(13)25-2/h3-6,11-12H,7-10H2,1-2H3,(H3,19,20,21,22)
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>1.00E+4>-29.7n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12602
PNG
(2,4-Diamino-5-ketopyrimidine 20 | 2-N-[4-(4-methyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)c(N)n2)cc1
Show InChI InChI=1S/C23H23F3N6O/c1-31-10-12-32(13-11-31)16-8-6-15(7-9-16)29-22-28-14-18(21(27)30-22)20(33)17-4-2-3-5-19(17)23(24,25)26/h2-9,14H,10-13H2,1H3,(H3,27,28,29,30)
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>1.00E+4>-29.7n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12601
PNG
(2,4-Diamino-5-ketopyrimidine 19 | 2-N-[4-(4-methyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3cccc(c3)C(F)(F)F)c(N)n2)cc1
Show InChI InChI=1S/C23H23F3N6O/c1-31-9-11-32(12-10-31)18-7-5-17(6-8-18)29-22-28-14-19(21(27)30-22)20(33)15-3-2-4-16(13-15)23(24,25)26/h2-8,13-14H,9-12H2,1H3,(H3,27,28,29,30)
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>1.00E+4>-29.7n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12600
PNG
(2,4-Diamino-5-ketopyrimidine 18 | 5-[(3-fluorophen...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3cccc(F)c3)c(N)n2)cc1
Show InChI InChI=1S/C22H23FN6O/c1-28-9-11-29(12-10-28)18-7-5-17(6-8-18)26-22-25-14-19(21(24)27-22)20(30)15-3-2-4-16(23)13-15/h2-8,13-14H,9-12H2,1H3,(H3,24,25,26,27)
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>1.00E+4>-29.7n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12599
PNG
(2,4-Diamino-5-ketopyrimidine 17 | 5-[(3-methoxyphe...)
Show SMILES COc1cccc(c1)C(=O)c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)nc1N
Show InChI InChI=1S/C23H26N6O2/c1-28-10-12-29(13-11-28)18-8-6-17(7-9-18)26-23-25-15-20(22(24)27-23)21(30)16-4-3-5-19(14-16)31-2/h3-9,14-15H,10-13H2,1-2H3,(H3,24,25,26,27)
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>1.00E+4>-29.7n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12603
PNG
(2,4-Diamino-5-ketopyrimidine 21 | 5-[(2-methylphen...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)c3ccccc3C)c(N)n2)cc1
Show InChI InChI=1S/C23H26N6O/c1-16-5-3-4-6-19(16)21(30)20-15-25-23(27-22(20)24)26-17-7-9-18(10-8-17)29-13-11-28(2)12-14-29/h3-10,15H,11-14H2,1-2H3,(H3,24,25,26,27)
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>1.00E+4>-29.7n/an/an/an/an/a7.037



Hoffmann-La Roche Inc.



Assay Description
Enzymes were assayed with retinoblastoma substrate in 384-well plates containing diluted test compounds. Final ATP concentration was 3x the respectiv...


J Med Chem 49: 6549-60 (2006)


Article DOI: 10.1021/jm0606138
BindingDB Entry DOI: 10.7270/Q2QR4VB2
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM7665
PNG
(4-[(5-bromo-4-{imidazo[1,2-a]pyridin-3-yl}pyrimidi...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2ncc(Br)c(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-9-24-31(28,29)15-7-5-14(6-8-15)25-20-23-12-16(21)19(26-20)17-13-22-18-4-2-3-10-27(17)18/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,25,26)
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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: 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))
BDBM7666
PNG
(4-[(4-{imidazo[1,2-a]pyridin-3-yl}-5-(phenylsulfan...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2ncc(Sc3ccccc3)c(n2)-c2cnc3ccccn23)cc1
Show InChI InChI=1S/C26H24N6O3S2/c1-35-16-14-29-37(33,34)21-12-10-19(11-13-21)30-26-28-18-23(36-20-7-3-2-4-8-20)25(31-26)22-17-27-24-9-5-6-15-32(22)24/h2-13,15,17-18,29H,14,16H2,1H3,(H,28,30,31)
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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 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))
BDBM7667
PNG
(4-[(4-{6-bromoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Br)cn23)cc1
Show InChI InChI=1S/C20H19BrN6O3S/c1-30-11-10-24-31(28,29)16-5-3-15(4-6-16)25-20-22-9-8-17(26-20)18-12-23-19-7-2-14(21)13-27(18)19/h2-9,12-13,24H,10-11H2,1H3,(H,22,25,26)
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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
CDK2/CycE


(Homo sapiens (human))
BDBM7668
PNG
(4-[(4-{6-cyanoimidazo[1,2-a]pyridin-3-yl}pyrimidin...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(cn23)C#N)cc1
Show InChI InChI=1S/C21H19N7O3S/c1-31-11-10-25-32(29,30)17-5-3-16(4-6-17)26-21-23-9-8-18(27-21)19-13-24-20-7-2-15(12-22)14-28(19)20/h2-9,13-14,25H,10-11H2,1H3,(H,23,26,27)
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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
CDK2/CycE


(Homo sapiens (human))
BDBM7669
PNG
(4-({4-[6-(ethylsulfanyl)imidazo[1,2-a]pyridin-3-yl...)
Show SMILES CCSc1ccc2ncc(-c3ccnc(Nc4ccc(cc4)S(=O)(=O)NCCOC)n3)n2c1
Show InChI InChI=1S/C22H24N6O3S2/c1-3-32-17-6-9-21-24-14-20(28(21)15-17)19-10-11-23-22(27-19)26-16-4-7-18(8-5-16)33(29,30)25-12-13-31-2/h4-11,14-15,25H,3,12-13H2,1-2H3,(H,23,26,27)
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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
CDK2/CycE


(Homo sapiens (human))
BDBM7670
PNG
(Imidazo[1,2-a]pyridine deriv. 4g | N-(2-methoxyeth...)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccc(Sc4ccccc4)cn23)cc1
Show InChI InChI=1S/C26H24N6O3S2/c1-35-16-15-29-37(33,34)22-10-7-19(8-11-22)30-26-27-14-13-23(31-26)24-17-28-25-12-9-21(18-32(24)25)36-20-5-3-2-4-6-20/h2-14,17-18,29H,15-16H2,1H3,(H,27,30,31)
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n/an/a 16n/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))
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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n/an/a<3n/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: 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



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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))
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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n/an/a<3n/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: 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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n/an/a 600n/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: 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



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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))
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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n/an/a 600n/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: 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



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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))
BDBM6662
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 1.21E+3n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6663
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(3-methanesulfo...)
Show SMILES CS(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 2.86E+3n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6664
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[4-(methylsulfa...)
Show SMILES CSc1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 1.39E+4n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6665
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 1.77E+4n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6666
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-2-1-3-16(23)19(15)20(28)13-6-9-18-26-17(11-27(18)10-13)25-14-7-4-12(5-8-14)21(24)29/h1-11,25H,(H2,24,29)
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n/an/a 1.63E+3n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6667
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-5-2-6-16(23)19(15)20(28)13-7-8-18-26-17(11-27(18)10-13)25-14-4-1-3-12(9-14)21(24)29/h1-11,25H,(H2,24,29)
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n/an/a 2.72E+3n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6668
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-9-7-15(8-10-16)25-19-13-28-12-14(6-11-20(28)26-19)22(29)21-17(23)4-3-5-18(21)24/h3-13,25H,1-2H3
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n/an/a 1.54E+3n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6669
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-6-3-5-15(11-16)25-19-13-28-12-14(9-10-20(28)26-19)22(29)21-17(23)7-4-8-18(21)24/h3-13,25H,1-2H3
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n/an/a 1.21E+4n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6670
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29)
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n/an/a 560n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM6671
PNG
(3-{[4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H16Cl2N6O3S/c22-15-2-1-3-16(23)19(15)20(30)12-4-9-18-27-17(11-29(18)10-12)26-13-5-7-14(8-6-13)33(31,32)28-21(24)25/h1-11,26H,(H4,24,25,28)
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n/an/a 250n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6672
PNG
(N-{[4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(cc3)S(=O)(=O)NC(=O)c3ccccc3)cn2c1
Show InChI InChI=1S/C27H18Cl2N4O4S/c28-21-7-4-8-22(29)25(21)26(34)18-9-14-24-31-23(16-33(24)15-18)30-19-10-12-20(13-11-19)38(36,37)32-27(35)17-5-2-1-3-6-17/h1-16,30H,(H,32,35)
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n/an/a 670n/an/an/an/a7.022



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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6673
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES OC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H13Cl2N3O3/c22-15-2-1-3-16(23)19(15)20(27)13-6-9-18-25-17(11-26(18)10-13)24-14-7-4-12(5-8-14)21(28)29/h1-11,24H,(H,28,29)
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n/an/a 740n/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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6674
PNG
(N-{6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]p...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccncc3)cn2c1
Show InChI InChI=1S/C19H12Cl2N4O/c20-14-2-1-3-15(21)18(14)19(26)12-4-5-17-24-16(11-25(17)10-12)23-13-6-8-22-9-7-13/h1-11H,(H,22,23)
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n/an/a>2.00E+4n/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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6675
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-phenoxypheny...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)cn2c1
Show InChI InChI=1S/C26H17Cl2N3O2/c27-21-7-4-8-22(28)25(21)26(32)17-9-14-24-30-23(16-31(24)15-17)29-18-10-12-20(13-11-18)33-19-5-2-1-3-6-19/h1-16,29H
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n/an/a>2.00E+4n/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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 960n/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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6677
PNG
(3,6-bis[(2,6-difluorophenyl)carbonyl]imidazo[1,2-a...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3O2/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 122n/an/an/an/a7.022



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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 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6678
PNG
(3-[(2-chloro-6-fluorophenyl)carbonyl]-6-[(2,6-difl...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1Cl)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11ClF3N3O2/c22-11-3-1-4-12(23)16(11)20(30)18-21(26)27-15-8-7-10(9-28(15)18)19(29)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 102n/an/an/an/a7.022



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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 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6679
PNG
(3-[(2,6-difluoro-4-methoxyphenyl)carbonyl]-6-[(2,6...)
Show SMILES COc1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
Show InChI InChI=1S/C22H13F4N3O3/c1-32-11-7-14(25)18(15(26)8-11)21(31)19-22(27)28-16-6-5-10(9-29(16)19)20(30)17-12(23)3-2-4-13(17)24/h2-9H,27H2,1H3
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n/an/a 91n/an/an/an/a7.022



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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 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6680
PNG
(6-[(2,6-difluorophenyl)carbonyl]-3-[(2-methoxyphen...)
Show SMILES COc1ccccc1C(=O)c1c(N)nc2ccc(cn12)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)21(29)19-22(25)26-17-10-9-12(11-27(17)19)20(28)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3
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n/an/a 68n/an/an/an/a7.022



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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 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6681
PNG
(3-[(2,6-dichlorophenyl)carbonyl]-6-[(2,6-difluorop...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11Cl2F2N3O2/c22-11-3-1-4-12(23)16(11)20(30)18-21(26)27-15-8-7-10(9-28(15)18)19(29)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 121n/an/an/an/a7.022



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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 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6682
PNG
(aminoimidazo[1,2-a]pyridine deriv. 17 | {2-amino-6...)
Show SMILES Nc1nc2ccc(cn2c1C(=S)c1ccccc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H13F2N3OS/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2
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n/an/a 214n/an/an/an/a7.022



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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 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6683
PNG
(aminoimidazo[1,2-a]pyridine deriv. 18 | {2-amino-6...)
Show SMILES Nc1nc2ccc(cn2c1C(=S)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3OS/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 26n/an/an/an/a7.022



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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 14: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
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