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Compile Data Set for Download or QSAR

Found 20 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 2 (CDK2)' and Substrate = 'Histone type 3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35167
PNG
(indazole-benzimidazole, 3)
Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)21-5-3-4-19-25(21)28-26(27-19)24-18-8-6-16(14-20(18)29-30-24)17-7-9-22(33)23(15-17)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 4.10n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35190
PNG
(pyrazolo[3,4-b]-pyridine, 2)
Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(C(=O)NC3CC3)c2cc1Br
Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(16(23)18-9-3-4-9)20-21-15(11)19-13(12)8-1-5-10(22)6-2-8/h1-2,5-7,9,22H,3-4H2,(H,18,23)(H,19,20,21)
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n/an/a 5n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35168
PNG
(indazole-benzimidazole, 4)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C25H24N6O/c1-30-11-13-31(14-12-30)22-4-2-3-20-24(22)27-25(26-20)23-19-10-7-17(15-21(19)28-29-23)16-5-8-18(32)9-6-16/h2-10,15,32H,11-14H2,1H3,(H,26,27)(H,28,29)
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n/an/a 13.3n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35166
PNG
(indazole-benzimidazole, 1)
Show SMILES COc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 102n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35176
PNG
(indazole-benzimidazole, 12)
Show SMILES COc1cc(ccc1N)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-18-8-6-16(14-21(18)30-31-24)17-7-9-19(27)23(15-17)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 247n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35173
PNG
(indazole-benzimidazole, 9)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(N)cc1
Show InChI InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35175
PNG
(indazole-benzimidazole, 11)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(N)c(F)c1
Show InChI InChI=1S/C25H24FN7/c1-32-9-11-33(12-10-32)22-4-2-3-20-24(22)29-25(28-20)23-17-7-5-16(14-21(17)30-31-23)15-6-8-19(27)18(26)13-15/h2-8,13-14H,9-12,27H2,1H3,(H,28,29)(H,30,31)
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n/an/a 1.73E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35174
PNG
(indazole-benzimidazole, 10)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1cccc(N)c1
Show InChI InChI=1S/C25H25N7/c1-31-10-12-32(13-11-31)22-7-3-6-20-24(22)28-25(27-20)23-19-9-8-17(15-21(19)29-30-23)16-4-2-5-18(26)14-16/h2-9,14-15H,10-13,26H2,1H3,(H,27,28)(H,29,30)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35170
PNG
(indazole-benzimidazole, 6)
Show SMILES COc1ccc(c(OC)c1)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C27H28N6O2/c1-32-11-13-33(14-12-32)23-6-4-5-21-26(23)29-27(28-21)25-20-9-7-17(15-22(20)30-31-25)19-10-8-18(34-2)16-24(19)35-3/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35171
PNG
(indazole-benzimidazole, 7)
Show SMILES COc1ccccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H26N6O/c1-31-12-14-32(15-13-31)22-8-5-7-20-25(22)28-26(27-20)24-19-11-10-17(16-21(19)29-30-24)18-6-3-4-9-23(18)33-2/h3-11,16H,12-15H2,1-2H3,(H,27,28)(H,29,30)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35178
PNG
(indazole-benzimidazole, 14)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C27H27N7O/c1-17(35)28-20-9-6-18(7-10-20)19-8-11-21-23(16-19)31-32-25(21)27-29-22-4-3-5-24(26(22)30-27)34-14-12-33(2)13-15-34/h3-11,16H,12-15H2,1-2H3,(H,28,35)(H,29,30)(H,31,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35177
PNG
(indazole-benzimidazole, 13)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(CN)cc1
Show InChI InChI=1S/C26H27N7/c1-32-11-13-33(14-12-32)23-4-2-3-21-25(23)29-26(28-21)24-20-10-9-19(15-22(20)30-31-24)18-7-5-17(16-27)6-8-18/h2-10,15H,11-14,16,27H2,1H3,(H,28,29)(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35187
PNG
(indazole-benzimidazole, 23)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2ncccc2c1
Show InChI InChI=1S/C28H25N7/c1-34-12-14-35(15-13-34)25-6-2-5-23-27(25)31-28(30-23)26-21-9-7-19(17-24(21)32-33-26)18-8-10-22-20(16-18)4-3-11-29-22/h2-11,16-17H,12-15H2,1H3,(H,30,31)(H,32,33)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35172
PNG
(indazole-benzimidazole, 8)
Show SMILES COc1cc(F)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H25FN6O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35181
PNG
(indazole-benzimidazole, 17)
Show SMILES COc1cc(N)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35182
PNG
(indazole-benzimidazole, 18)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H24N6O2/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-9-18(15-21(19)29-30-23)16-5-7-17(8-6-16)26(33)34/h2-10,15H,11-14H2,1H3,(H,27,28)(H,29,30)(H,33,34)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35183
PNG
(indazole-benzimidazole, 19)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)C(C)=O
Show InChI InChI=1S/C27H26N6O/c1-17(34)18-6-8-19(9-7-18)20-10-11-21-23(16-20)30-31-25(21)27-28-22-4-3-5-24(26(22)29-27)33-14-12-32(2)13-15-33/h3-11,16H,12-15H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35186
PNG
(indazole-benzimidazole, 22)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H25N7/c1-33-11-13-34(14-12-33)24-4-2-3-22-26(24)30-27(29-22)25-20-7-5-18(16-23(20)31-32-25)17-6-8-21-19(15-17)9-10-28-21/h2-10,15-16,28H,11-14H2,1H3,(H,29,30)(H,31,32)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35169
PNG
(indazole-benzimidazole, 5)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(CO)cc1
Show InChI InChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)23-4-2-3-21-25(23)28-26(27-21)24-20-10-9-19(15-22(20)29-30-24)18-7-5-17(16-33)6-8-18/h2-10,15,33H,11-14,16H2,1H3,(H,27,28)(H,29,30)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM35179
PNG
(indazole-benzimidazole, 15)
Show SMILES CNc1ccc(cc1)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1
Show InChI InChI=1S/C26H27N7/c1-27-19-9-6-17(7-10-19)18-8-11-20-22(16-18)30-31-24(20)26-28-21-4-3-5-23(25(21)29-26)33-14-12-32(2)13-15-33/h3-11,16,27H,12-15H2,1-2H3,(H,28,29)(H,30,31)
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n/an/a 1.09E+5n/an/an/an/an/an/a



Pfizer



Assay Description
Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...


Bioorg Med Chem Lett 19: 908-11 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.105
BindingDB Entry DOI: 10.7270/Q2G73C1H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)