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PubMed code 15149678

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
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))
BDBM6736
PNG
(1,7-Annulated indolocarbazole deriv. 16c | 7-(pyrr...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C28H24N4O2/c33-27-22-20-17-9-8-15(14-31-10-1-2-11-31)13-19(17)29-24(20)26-21(23(22)28(34)30-27)18-7-3-5-16-6-4-12-32(26)25(16)18/h3,5,7-9,13,29H,1-2,4,6,10-12,14H2,(H,30,33,34)
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n/an/a 50n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6740
PNG
(1,7-Annulated indolocarbazole deriv. 16g | 7-(pipe...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCNCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C28H25N5O2/c34-27-22-20-17-7-6-15(14-32-11-8-29-9-12-32)13-19(17)30-24(20)26-21(23(22)28(35)31-27)18-5-1-3-16-4-2-10-33(26)25(16)18/h1,3,5-7,13,29-30H,2,4,8-12,14H2,(H,31,34,35)
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n/an/a 65n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6735
PNG
(1,7-Annulated indolocarbazole deriv. 16b | 7-(azet...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C27H22N4O2/c32-26-21-19-16-8-7-14(13-30-9-3-10-30)12-18(16)28-23(19)25-20(22(21)27(33)29-26)17-6-1-4-15-5-2-11-31(25)24(15)17/h1,4,6-8,12,28H,2-3,5,9-11,13H2,(H,29,32,33)
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n/an/a 75n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6738
PNG
(1,7-Annulated indolocarbazole deriv. 16e | 7-(morp...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCOCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C28H24N4O3/c33-27-22-20-17-7-6-15(14-31-9-11-35-12-10-31)13-19(17)29-24(20)26-21(23(22)28(34)30-27)18-5-1-3-16-4-2-8-32(26)25(16)18/h1,3,5-7,13,29H,2,4,8-12,14H2,(H,30,33,34)
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n/an/a 75n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6741
PNG
(1,7-Annulated indolocarbazole deriv. 16h | 7-(1,4-...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCCNCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C29H27N5O2/c35-28-23-21-18-8-7-16(15-33-11-3-9-30-10-13-33)14-20(18)31-25(21)27-22(24(23)29(36)32-28)19-6-1-4-17-5-2-12-34(27)26(17)19/h1,4,6-8,14,30-31H,2-3,5,9-13,15H2,(H,32,35,36)
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n/an/a 79n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6737
PNG
(1,7-Annulated indolocarbazole deriv. 16d | 7-(pipe...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCCCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C29H26N4O2/c34-28-23-21-18-10-9-16(15-32-11-2-1-3-12-32)14-20(18)30-25(21)27-22(24(23)29(35)31-28)19-8-4-6-17-7-5-13-33(27)26(17)19/h4,6,8-10,14,30H,1-3,5,7,11-13,15H2,(H,31,34,35)
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n/an/a 87n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6739
PNG
(1,7-Annulated indolocarbazole deriv. 16f | 7-(thio...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(CN4CCSCC4)cc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C28H24N4O2S/c33-27-22-20-17-7-6-15(14-31-9-11-35-12-10-31)13-19(17)29-24(20)26-21(23(22)28(34)30-27)18-5-1-3-16-4-2-8-32(26)25(16)18/h1,3,5-7,13,29H,2,4,8-12,14H2,(H,30,33,34)
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n/an/a 90n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6729
PNG
(1,7-Annulated indolocarbazole deriv. 6l | 7-bromo-...)
Show SMILES Brc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C23H14BrN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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n/an/a 90n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6720
PNG
(1,4,14-triazaheptacyclo[16.8.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCc4cccc(c21)c34
Show InChI InChI=1S/C24H17N3O2/c28-23-18-16-13-8-1-2-10-15(13)25-20(16)22-17(19(18)24(29)26-23)14-9-5-7-12-6-3-4-11-27(22)21(12)14/h1-2,5,7-10,25H,3-4,6,11H2,(H,26,28,29)
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n/an/a 94n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6728
PNG
(1,7-Annulated indolocarbazole deriv. 6k | 7-chloro...)
Show SMILES Clc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C23H14ClN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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n/an/a 110n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6719
PNG
(1,4,14-triazaheptacyclo[16.7.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C23H15N3O2/c27-22-17-15-12-7-1-2-9-14(12)24-19(15)21-16(18(17)23(28)25-22)13-8-3-5-11-6-4-10-26(21)20(11)13/h1-3,5,7-9,24H,4,6,10H2,(H,25,27,28)
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n/an/a 110n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6721
PNG
(1,4,14-triazaheptacyclo[16.9.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCCc4cccc(c21)c34
Show InChI InChI=1S/C25H19N3O2/c29-24-19-17-14-9-3-4-11-16(14)26-21(17)23-18(20(19)25(30)27-24)15-10-6-8-13-7-2-1-5-12-28(23)22(13)15/h3-4,6,8-11,26H,1-2,5,7,12H2,(H,27,29,30)
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n/an/a 120n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6732
PNG
(1,7-Annulated indolocarbazole deriv. 6o | 7-(pyrid...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(cc3[nH]c1c1n3CCCc4cccc(c34)c21)-c1cccnc1
Show InChI InChI=1S/C28H18N4O2/c33-27-22-20-17-9-8-15(16-5-2-10-29-13-16)12-19(17)30-24(20)26-21(23(22)28(34)31-27)18-7-1-4-14-6-3-11-32(26)25(14)18/h1-2,4-5,7-10,12-13,30H,3,6,11H2,(H,31,33,34)
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n/an/a 160n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6734
PNG
(1,7-Annulated indolocarbazole deriv. 16a | 7-(amin...)
Show SMILES NCc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C24H18N4O2/c25-10-11-6-7-13-15(9-11)26-20-16(13)18-19(24(30)27-23(18)29)17-14-5-1-3-12-4-2-8-28(21(12)14)22(17)20/h1,3,5-7,9,26H,2,4,8,10,25H2,(H,27,29,30)
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n/an/a 170n/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: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6718
PNG
(1,4,14-triazaheptacyclo[16.6.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCc4cccc(c34)c21
Show InChI InChI=1S/C22H13N3O2/c26-21-16-14-11-5-1-2-7-13(11)23-18(14)20-15(17(16)22(27)24-21)12-6-3-4-10-8-9-25(20)19(10)12/h1-7,23H,8-9H2,(H,24,26,27)
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n/an/a 240n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6730
PNG
(1,7-Annulated indolocarbazole deriv. 6m | 7-(trifl...)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)11-6-7-12-14(9-11)28-19-15(12)17-18(23(32)29-22(17)31)16-13-5-1-3-10-4-2-8-30(20(10)13)21(16)19/h1,3,5-7,9,28H,2,4,8H2,(H,29,31,32)
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n/an/a 290n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6727
PNG
(1,7-Annulated indolocarbazole deriv. 6j | 7-fluoro...)
Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C23H14FN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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n/an/a 420n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6733
PNG
(1,7-Annulated indolocarbazole deriv. 6p | 7-(pyrid...)
Show SMILES O=C1NC(=O)c2c1c1c3ccc(cc3[nH]c1c1n3CCCc4cccc(c34)c21)-c1ccncc1
Show InChI InChI=1S/C28H18N4O2/c33-27-22-20-17-7-6-16(14-8-10-29-11-9-14)13-19(17)30-24(20)26-21(23(22)28(34)31-27)18-5-1-3-15-4-2-12-32(26)25(15)18/h1,3,5-11,13,30H,2,4,12H2,(H,31,33,34)
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n/an/a 590n/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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6719
PNG
(1,4,14-triazaheptacyclo[16.7.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCc4cccc(c21)c34
Show InChI InChI=1S/C23H15N3O2/c27-22-17-15-12-7-1-2-9-14(12)24-19(15)21-16(18(17)23(28)25-22)13-8-3-5-11-6-4-10-26(21)20(11)13/h1-3,5,7-9,24H,4,6,10H2,(H,25,27,28)
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n/an/a>1.00E+3n/an/an/an/an/an/a



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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: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6720
PNG
(1,4,14-triazaheptacyclo[16.8.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCc4cccc(c21)c34
Show InChI InChI=1S/C24H17N3O2/c28-23-18-16-13-8-1-2-10-15(13)25-20(16)22-17(19(18)24(29)26-23)14-9-5-7-12-6-3-4-11-27(22)21(12)14/h1-2,5,7-10,25H,3-4,6,11H2,(H,26,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



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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: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6729
PNG
(1,7-Annulated indolocarbazole deriv. 6l | 7-bromo-...)
Show SMILES Brc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C23H14BrN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



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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: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6725
PNG
(1,7-Annulated indolocarbazole deriv. 6h | 8-bromo-...)
Show SMILES Brc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2c1
Show InChI InChI=1S/C23H14BrN3O2/c24-11-6-7-14-13(9-11)15-17-18(23(29)26-22(17)28)16-12-5-1-3-10-4-2-8-27(20(10)12)21(16)19(15)25-14/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6724
PNG
(1,7-Annulated indolocarbazole deriv. 6g | 8-fluoro...)
Show SMILES Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2c1
Show InChI InChI=1S/C23H14FN3O2/c24-11-6-7-14-13(9-11)15-17-18(23(29)26-22(17)28)16-12-5-1-3-10-4-2-8-27(20(10)12)21(16)19(15)25-14/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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n/an/a>2.00E+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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6726
PNG
(1,7-Annulated indolocarbazole deriv. 6i | methyl 1...)
Show SMILES COC(=O)c1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2c1
Show InChI InChI=1S/C25H17N3O4/c1-32-25(31)12-7-8-15-14(10-12)16-18-19(24(30)27-23(18)29)17-13-6-2-4-11-5-3-9-28(21(11)13)22(17)20(16)26-15/h2,4,6-8,10,26H,3,5,9H2,1H3,(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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6730
PNG
(1,7-Annulated indolocarbazole deriv. 6m | 7-(trifl...)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C24H14F3N3O2/c25-24(26,27)11-6-7-12-14(9-11)28-19-15(12)17-18(23(32)29-22(17)31)16-13-5-1-3-10-4-2-8-30(20(10)13)21(16)19/h1,3,5-7,9,28H,2,4,8H2,(H,29,31,32)
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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: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6728
PNG
(1,7-Annulated indolocarbazole deriv. 6k | 7-chloro...)
Show SMILES Clc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C23H14ClN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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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: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6727
PNG
(1,7-Annulated indolocarbazole deriv. 6j | 7-fluoro...)
Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C23H14FN3O2/c24-11-6-7-12-14(9-11)25-19-15(12)17-18(23(29)26-22(17)28)16-13-5-1-3-10-4-2-8-27(20(10)13)21(16)19/h1,3,5-7,9,25H,2,4,8H2,(H,26,28,29)
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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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6718
PNG
(1,4,14-triazaheptacyclo[16.6.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCc4cccc(c34)c21
Show InChI InChI=1S/C22H13N3O2/c26-21-16-14-11-5-1-2-7-13(11)23-18(14)20-15(17(16)22(27)24-21)12-6-3-4-10-8-9-25(20)19(10)12/h1-7,23H,8-9H2,(H,24,26,27)
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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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6731
PNG
(1,7-Annulated indolocarbazole deriv. 6n | methyl 1...)
Show SMILES COC(=O)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CCCn(c34)c12
Show InChI InChI=1S/C25H17N3O4/c1-32-25(31)12-7-8-13-15(10-12)26-20-16(13)18-19(24(30)27-23(18)29)17-14-6-2-4-11-5-3-9-28(21(11)14)22(17)20/h2,4,6-8,10,26H,3,5,9H2,1H3,(H,27,29,30)
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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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6721
PNG
(1,4,14-triazaheptacyclo[16.9.1.0^{2,17}.0^{3,11}.0...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCCc4cccc(c21)c34
Show InChI InChI=1S/C25H19N3O2/c29-24-19-17-14-9-3-4-11-16(14)26-21(17)23-18(20(19)25(30)27-24)15-10-6-8-13-7-2-1-5-12-28(23)22(13)15/h3-4,6,8-11,26H,1-2,5,7,12H2,(H,27,29,30)
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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: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6723
PNG
(1,7-Annulated indolocarbazole deriv. 6f | 7,8-difl...)
Show SMILES Fc1cc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c2cc1F
Show InChI InChI=1S/C23H13F2N3O2/c24-12-7-11-14(8-13(12)25)26-19-15(11)17-18(23(30)27-22(17)29)16-10-5-1-3-9-4-2-6-28(20(9)10)21(16)19/h1,3,5,7-8,26H,2,4,6H2,(H,27,29,30)
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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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6722
PNG
(1,7-Annulated indolocarbazole deriv. 6e | 9-fluoro...)
Show SMILES Fc1cccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CCCn(c56)c34)c12
Show InChI InChI=1S/C23H14FN3O2/c24-12-7-2-8-13-15(12)16-18-17(22(28)26-23(18)29)14-11-6-1-4-10-5-3-9-27(20(10)11)21(14)19(16)25-13/h1-2,4,6-8,25H,3,5,9H2,(H,26,28,29)
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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 14: 3217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.105
BindingDB Entry DOI: 10.7270/Q2Q52MTT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%