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PubMed code 15149644

Compile data set for download or QSAR
Found 37 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))
BDBM6745
PNG
(1,7-Annulated indolocarbazole deriv. 13Ab | 7-fluo...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n1c23
Show InChI InChI=1S/C24H16FN3O3/c25-11-5-7-13-15(8-11)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-10-4-6-12(9-29)28(21(10)14)22(17)20/h1-3,5,7-8,12,26,29H,4,6,9H2,(H,27,30,31)
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PubMed
n/an/a 2n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6756
PNG
(1,7-Annulated indolocarbazole deriv. 16-b | 7-fluo...)
Show SMILES CNCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C25H19FN4O2/c1-27-9-11-7-12-3-2-4-15-18-20-19(24(31)29-25(20)32)17-14-6-5-13(26)8-16(14)28-21(17)23(18)30(10-11)22(12)15/h2-6,8,11,27-28H,7,9-10H2,1H3,(H,29,31,32)
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PubMed
n/an/a 8n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6747
PNG
(1,7-Annulated indolocarbazole deriv. 13Bc | 7-brom...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(Br)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H16BrN3O3/c25-12-4-5-13-15(7-12)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-11-6-10(9-29)8-28(21(11)14)22(17)20/h1-5,7,10,26,29H,6,8-9H2,(H,27,30,31)
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PubMed
n/an/a 10n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6749
PNG
(1,7-Annulated indolocarbazole deriv. 13Be | 24-(hy...)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CC(CO)Cn(c34)c12
Show InChI InChI=1S/C25H19N3O4/c1-32-13-5-6-14-16(8-13)26-21-17(14)19-20(25(31)27-24(19)30)18-15-4-2-3-12-7-11(10-29)9-28(22(12)15)23(18)21/h2-6,8,11,26,29H,7,9-10H2,1H3,(H,27,30,31)
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PubMed
n/an/a 15n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6742
PNG
(1,7-Annulated indolocarbazole deriv. 13Aa | 25-(hy...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n1c23
Show InChI InChI=1S/C24H17N3O3/c28-10-12-9-8-11-4-3-6-14-17-19-18(23(29)26-24(19)30)16-13-5-1-2-7-15(13)25-20(16)22(17)27(12)21(11)14/h1-7,12,25,28H,8-10H2,(H,26,29,30)
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PubMed
n/an/a 18n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6746
PNG
(1,7-Annulated indolocarbazole deriv. 13Bb | 7-fluo...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H16FN3O3/c25-12-4-5-13-15(7-12)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-11-6-10(9-29)8-28(21(11)14)22(17)20/h1-5,7,10,26,29H,6,8-9H2,(H,27,30,31)
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PubMed
n/an/a 22n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6748
PNG
(1,7-Annulated indolocarbazole deriv. 13Bd | 24-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(cc6[nH]c5c4n(C1)c23)C(F)(F)F
Show InChI InChI=1S/C25H16F3N3O3/c26-25(27,28)12-4-5-13-15(7-12)29-20-16(13)18-19(24(34)30-23(18)33)17-14-3-1-2-11-6-10(9-32)8-31(21(11)14)22(17)20/h1-5,7,10,29,32H,6,8-9H2,(H,30,33,34)
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PubMed
n/an/a 23n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6744
PNG
(1,7-Annulated indolocarbazole deriv. 13Ca | 23-(hy...)
Show SMILES OCC1CCn2c3c1cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C24H17N3O3/c28-10-11-8-9-27-21-12(11)5-3-6-14(21)17-19-18(23(29)26-24(19)30)16-13-4-1-2-7-15(13)25-20(16)22(17)27/h1-7,11,25,28H,8-10H2,(H,26,29,30)
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PubMed
n/an/a 31n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6755
PNG
(1,7-Annulated indolocarbazole deriv. 16-a | 24-(ch...)
Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CC(CCl)Cn(c34)c12
Show InChI InChI=1S/C24H15ClFN3O2/c25-8-10-6-11-2-1-3-14-17-19-18(23(30)28-24(19)31)16-13-5-4-12(26)7-15(13)27-20(16)22(17)29(9-10)21(11)14/h1-5,7,10,27H,6,8-9H2,(H,28,30,31)
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PubMed
n/an/a 64n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6743
PNG
(1,7-Annulated indolocarbazole deriv. 13Ba | 24-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H17N3O3/c28-10-11-8-12-4-3-6-14-17-19-18(23(29)26-24(19)30)16-13-5-1-2-7-15(13)25-20(16)22(17)27(9-11)21(12)14/h1-7,11,25,28H,8-10H2,(H,26,29,30)
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n/an/a 71n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6752
PNG
(1,7-Annulated indolocarbazole deriv. 13Bf | 25-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n(C1)c23
Show InChI InChI=1S/C26H18N2O3/c29-12-13-10-15-5-3-7-17-20-22-21(25(30)27-26(22)31)19-16-6-2-1-4-14(16)8-9-18(19)24(20)28(11-13)23(15)17/h1-9,13,29H,10-12H2,(H,27,30,31)
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n/an/a 72n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6745
PNG
(1,7-Annulated indolocarbazole deriv. 13Ab | 7-fluo...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n1c23
Show InChI InChI=1S/C24H16FN3O3/c25-11-5-7-13-15(8-11)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-10-4-6-12(9-29)28(21(10)14)22(17)20/h1-3,5,7-8,12,26,29H,4,6,9H2,(H,27,30,31)
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n/an/a 79n/an/an/an/an/an/a



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6754
PNG
(1,7-Annulated indolocarbazole deriv. 13Bg | 24-(hy...)
Show SMILES Cn1ccc2ccc3c4n5CC(CO)Cc6cccc(c4c4C(=O)NC(=O)c4c3c12)c56
Show InChI InChI=1S/C25H19N3O3/c1-27-8-7-13-5-6-16-17(22(13)27)19-20(25(31)26-24(19)30)18-15-4-2-3-14-9-12(11-29)10-28(21(14)15)23(16)18/h2-8,12,29H,9-11H2,1H3,(H,26,30,31)
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n/an/a 84n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6750
PNG
(1,7-Annulated indolocarbazole deriv. 13Da | 25-(hy...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C25H19N3O3/c29-11-12-8-9-13-4-3-6-15-18-20-19(24(30)27-25(20)31)17-14-5-1-2-7-16(14)26-21(17)23(18)28(10-12)22(13)15/h1-7,12,26,29H,8-11H2,(H,27,30,31)
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n/an/a 126n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6746
PNG
(1,7-Annulated indolocarbazole deriv. 13Bb | 7-fluo...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H16FN3O3/c25-12-4-5-13-15(7-12)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-11-6-10(9-29)8-28(21(11)14)22(17)20/h1-5,7,10,26,29H,6,8-9H2,(H,27,30,31)
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n/an/a 141n/an/an/an/an/an/a



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6751
PNG
(1,7-Annulated indolocarbazole deriv. 13Af | 26-(hy...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n1c23
Show InChI InChI=1S/C26H18N2O3/c29-12-15-10-8-14-5-3-7-17-20-22-21(25(30)27-26(22)31)19-16-6-2-1-4-13(16)9-11-18(19)24(20)28(15)23(14)17/h1-7,9,11,15,29H,8,10,12H2,(H,27,30,31)
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n/an/a 175n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6753
PNG
(1,7-Annulated indolocarbazole deriv. 13Cf | 24-(hy...)
Show SMILES OCC1CCn2c3c1cccc3c1c3C(=O)NC(=O)c3c3c(ccc4ccccc34)c21
Show InChI InChI=1S/C26H18N2O3/c29-12-14-10-11-28-23-16(14)6-3-7-17(23)20-22-21(25(30)27-26(22)31)19-15-5-2-1-4-13(15)8-9-18(19)24(20)28/h1-9,14,29H,10-12H2,(H,27,30,31)
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n/an/a 210n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6743
PNG
(1,7-Annulated indolocarbazole deriv. 13Ba | 24-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H17N3O3/c28-10-11-8-12-4-3-6-14-17-19-18(23(29)26-24(19)30)16-13-5-1-2-7-15(13)25-20(16)22(17)27(9-11)21(12)14/h1-7,11,25,28H,8-10H2,(H,26,29,30)
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n/an/a 217n/an/an/an/an/an/a



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6742
PNG
(1,7-Annulated indolocarbazole deriv. 13Aa | 25-(hy...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n1c23
Show InChI InChI=1S/C24H17N3O3/c28-10-12-9-8-11-4-3-6-14-17-19-18(23(29)26-24(19)30)16-13-5-1-2-7-15(13)25-20(16)22(17)27(12)21(11)14/h1-7,12,25,28H,8-10H2,(H,26,29,30)
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n/an/a 219n/an/an/an/an/an/a



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6749
PNG
(1,7-Annulated indolocarbazole deriv. 13Be | 24-(hy...)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CC(CO)Cn(c34)c12
Show InChI InChI=1S/C25H19N3O4/c1-32-13-5-6-14-16(8-13)26-21-17(14)19-20(25(31)27-24(19)30)18-15-4-2-3-12-7-11(10-29)9-28(22(12)15)23(18)21/h2-6,8,11,26,29H,7,9-10H2,1H3,(H,27,30,31)
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n/an/a 284n/an/an/an/an/an/a



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6756
PNG
(1,7-Annulated indolocarbazole deriv. 16-b | 7-fluo...)
Show SMILES CNCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C25H19FN4O2/c1-27-9-11-7-12-3-2-4-15-18-20-19(24(31)29-25(20)32)17-14-6-5-13(26)8-16(14)28-21(17)23(18)30(10-11)22(12)15/h2-6,8,11,27-28H,7,9-10H2,1H3,(H,29,31,32)
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n/an/a 383n/an/an/an/an/an/a



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6754
PNG
(1,7-Annulated indolocarbazole deriv. 13Bg | 24-(hy...)
Show SMILES Cn1ccc2ccc3c4n5CC(CO)Cc6cccc(c4c4C(=O)NC(=O)c4c3c12)c56
Show InChI InChI=1S/C25H19N3O3/c1-27-8-7-13-5-6-16-17(22(13)27)19-20(25(31)26-24(19)30)18-15-4-2-3-14-9-12(11-29)10-28(21(14)15)23(16)18/h2-8,12,29H,9-11H2,1H3,(H,26,30,31)
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n/an/a 650n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6758
PNG
(1,4-dimethyl 2-[({7-fluoro-13,15-dioxo-1,4,14-tria...)
Show SMILES COC(=O)CC(NCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23)C(=O)OC
Show InChI InChI=1S/C30H25FN4O6/c1-40-20(36)10-19(30(39)41-2)32-11-13-8-14-4-3-5-17-22-24-23(28(37)34-29(24)38)21-16-7-6-15(31)9-18(16)33-25(21)27(22)35(12-13)26(14)17/h3-7,9,13,19,32-33H,8,10-12H2,1-2H3,(H,34,37,38)
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n/an/a 671n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6742
PNG
(1,7-Annulated indolocarbazole deriv. 13Aa | 25-(hy...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n1c23
Show InChI InChI=1S/C24H17N3O3/c28-10-12-9-8-11-4-3-6-14-17-19-18(23(29)26-24(19)30)16-13-5-1-2-7-15(13)25-20(16)22(17)27(12)21(11)14/h1-7,12,25,28H,8-10H2,(H,26,29,30)
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n/an/a 858n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6757
PNG
(1,7-Annulated indolocarbazole deriv. 16-c | 24-[(d...)
Show SMILES CN(C)CC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C26H22N4O2/c1-29(2)11-13-10-14-6-5-8-16-19-21-20(25(31)28-26(21)32)18-15-7-3-4-9-17(15)27-22(18)24(19)30(12-13)23(14)16/h3-9,13,27H,10-12H2,1-2H3,(H,28,31,32)
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n/an/a 898n/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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6747
PNG
(1,7-Annulated indolocarbazole deriv. 13Bc | 7-brom...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(Br)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H16BrN3O3/c25-12-4-5-13-15(7-12)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-11-6-10(9-29)8-28(21(11)14)22(17)20/h1-5,7,10,26,29H,6,8-9H2,(H,27,30,31)
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Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6746
PNG
(1,7-Annulated indolocarbazole deriv. 13Bb | 7-fluo...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H16FN3O3/c25-12-4-5-13-15(7-12)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-11-6-10(9-29)8-28(21(11)14)22(17)20/h1-5,7,10,26,29H,6,8-9H2,(H,27,30,31)
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Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6752
PNG
(1,7-Annulated indolocarbazole deriv. 13Bf | 25-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n(C1)c23
Show InChI InChI=1S/C26H18N2O3/c29-12-13-10-15-5-3-7-17-20-22-21(25(30)27-26(22)31)19-16-6-2-1-4-14(16)8-9-18(19)24(20)28(11-13)23(15)17/h1-9,13,29H,10-12H2,(H,27,30,31)
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Assay Description
In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P...


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6744
PNG
(1,7-Annulated indolocarbazole deriv. 13Ca | 23-(hy...)
Show SMILES OCC1CCn2c3c1cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C24H17N3O3/c28-10-11-8-9-27-21-12(11)5-3-6-14(21)17-19-18(23(29)26-24(19)30)16-13-4-1-2-7-15(13)25-20(16)22(17)27/h1-7,11,25,28H,8-10H2,(H,26,29,30)
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Assay Description
In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P...


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6759
PNG
((2S)-1-({7-fluoro-13,15-dioxo-1,4,14-triazaheptacy...)
Show SMILES NC(=O)[C@@H]1CCCN1CC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C29H24FN5O3/c30-15-6-7-16-18(10-15)32-24-20(16)22-23(29(38)33-28(22)37)21-17-4-1-3-14-9-13(12-35(25(14)17)26(21)24)11-34-8-2-5-19(34)27(31)36/h1,3-4,6-7,10,13,19,32H,2,5,8-9,11-12H2,(H2,31,36)(H,33,37,38)/t13?,19-/m0/s1
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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: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6747
PNG
(1,7-Annulated indolocarbazole deriv. 13Bc | 7-brom...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(Br)cc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H16BrN3O3/c25-12-4-5-13-15(7-12)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-11-6-10(9-29)8-28(21(11)14)22(17)20/h1-5,7,10,26,29H,6,8-9H2,(H,27,30,31)
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Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6748
PNG
(1,7-Annulated indolocarbazole deriv. 13Bd | 24-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(cc6[nH]c5c4n(C1)c23)C(F)(F)F
Show InChI InChI=1S/C25H16F3N3O3/c26-25(27,28)12-4-5-13-15(7-12)29-20-16(13)18-19(24(34)30-23(18)33)17-14-3-1-2-11-6-10(9-32)8-31(21(11)14)22(17)20/h1-5,7,10,29,32H,6,8-9H2,(H,30,33,34)
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Assay Description
In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P...


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6752
PNG
(1,7-Annulated indolocarbazole deriv. 13Bf | 25-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n(C1)c23
Show InChI InChI=1S/C26H18N2O3/c29-12-13-10-15-5-3-7-17-20-22-21(25(30)27-26(22)31)19-16-6-2-1-4-14(16)8-9-18(19)24(20)28(11-13)23(15)17/h1-9,13,29H,10-12H2,(H,27,30,31)
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Assay Description
In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P...


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6745
PNG
(1,7-Annulated indolocarbazole deriv. 13Ab | 7-fluo...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n1c23
Show InChI InChI=1S/C24H16FN3O3/c25-11-5-7-13-15(8-11)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-10-4-6-12(9-29)28(21(10)14)22(17)20/h1-3,5,7-8,12,26,29H,4,6,9H2,(H,27,30,31)
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Assay Description
In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P...


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6751
PNG
(1,7-Annulated indolocarbazole deriv. 13Af | 26-(hy...)
Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c(ccc6ccccc56)c4n1c23
Show InChI InChI=1S/C26H18N2O3/c29-12-15-10-8-14-5-3-7-17-20-22-21(25(30)27-26(22)31)19-16-6-2-1-4-13(16)9-11-18(19)24(20)28(15)23(14)17/h1-7,9,11,15,29H,8,10,12H2,(H,27,30,31)
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Assay Description
In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P...


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6743
PNG
(1,7-Annulated indolocarbazole deriv. 13Ba | 24-(hy...)
Show SMILES OCC1Cc2cccc3c4c5C(=O)NC(=O)c5c5c6ccccc6[nH]c5c4n(C1)c23
Show InChI InChI=1S/C24H17N3O3/c28-10-11-8-12-4-3-6-14-17-19-18(23(29)26-24(19)30)16-13-5-1-2-7-15(13)25-20(16)22(17)27(9-11)21(12)14/h1-7,11,25,28H,8-10H2,(H,26,29,30)
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Assay Description
In vitro assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP. 33P...


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM6749
PNG
(1,7-Annulated indolocarbazole deriv. 13Be | 24-(hy...)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CC(CO)Cn(c34)c12
Show InChI InChI=1S/C25H19N3O4/c1-32-13-5-6-14-16(8-13)26-21-17(14)19-20(25(31)27-24(19)30)18-15-4-2-3-12-7-11(10-29)9-28(22(12)15)23(18)21/h2-6,8,11,26,29H,7,9-10H2,1H3,(H,27,30,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories



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


Bioorg Med Chem Lett 14: 3057-61 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.033
BindingDB Entry DOI: 10.7270/Q2KD1W3H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%