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PubMed code 15225699

Compile data set for download or QSAR
Found 27 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 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM6708
PNG
(7-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...)
Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-12-14(8-11)26-19-15(12)17-18(23(30)27-22(17)29)16-13-3-1-2-10-9-25-6-7-28(20(10)13)21(16)19/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)
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n/an/a 16n/an/an/an/an/a25



Lilly Research Laboratories



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

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6706
PNG
(1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21
Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)
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n/an/a 27n/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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6708
PNG
(7-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...)
Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-12-14(8-11)26-19-15(12)17-18(23(30)27-22(17)29)16-13-3-1-2-10-9-25-6-7-28(20(10)13)21(16)19/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)
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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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6707
PNG
(8-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...)
Show SMILES Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2c1
Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-14-13(8-11)15-17-18(23(30)27-22(17)29)16-12-3-1-2-10-9-25-6-7-28(20(10)12)21(16)19(15)26-14/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)
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n/an/a 34n/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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM6706
PNG
(1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21
Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)
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n/an/a 38n/an/an/an/an/a25



Lilly Research Laboratories



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

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6717
PNG
(1,4,14,24-tetraazaheptacyclo[16.10.1.0^{2,17}.0^{3...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21
Show InChI InChI=1S/C25H20N4O2/c30-24-19-17-14-7-1-2-9-16(14)27-21(17)23-18(20(19)25(31)28-24)15-8-5-6-13-12-26-10-3-4-11-29(23)22(13)15/h1-2,5-9,26-27H,3-4,10-12H2,(H,28,30,31)
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n/an/a 40n/an/an/an/an/a25



Lilly Research Laboratories



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

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6711
PNG
(6-(hydroxymethyl)-7-(trifluoromethyl)-1,4,14,24-te...)
Show SMILES OCc1c(ccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12)C(F)(F)F
Show InChI InChI=1S/C25H17F3N4O3/c26-25(27,28)14-5-4-11-15-17-18(24(35)31-23(17)34)16-12-3-1-2-10-8-29-6-7-32(21(10)12)22(16)20(15)30-19(11)13(14)9-33/h1-5,29-30,33H,6-9H2,(H,31,34,35)
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n/an/a 44n/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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6712
PNG
(24-methanesulfonyl-1,4,14,24-tetraazaheptacyclo[16...)
Show SMILES CS(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C24H18N4O4S/c1-33(31,32)27-9-10-28-21-12(11-27)5-4-7-14(21)17-19-18(23(29)26-24(19)30)16-13-6-2-3-8-15(13)25-20(16)22(17)28/h2-8,25H,9-11H2,1H3,(H,26,29,30)
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n/an/a 53n/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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6710
PNG
(7-(trifluoromethyl)-1,4,14,24-tetraazaheptacyclo[1...)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
Show InChI InChI=1S/C24H15F3N4O2/c25-24(26,27)11-4-5-12-14(8-11)29-19-15(12)17-18(23(33)30-22(17)32)16-13-3-1-2-10-9-28-6-7-31(20(10)13)21(16)19/h1-5,8,28-29H,6-7,9H2,(H,30,32,33)
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n/an/a 69n/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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6715
PNG
(24-(propan-2-yl)-1,4,14,24-tetraazaheptacyclo[16.8...)
Show SMILES CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C26H22N4O2/c1-13(2)29-10-11-30-23-14(12-29)6-5-8-16(23)19-21-20(25(31)28-26(21)32)18-15-7-3-4-9-17(15)27-22(18)24(19)30/h3-9,13,27H,10-12H2,1-2H3,(H,28,31,32)
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n/an/a 78n/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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6717
PNG
(1,4,14,24-tetraazaheptacyclo[16.10.1.0^{2,17}.0^{3...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21
Show InChI InChI=1S/C25H20N4O2/c30-24-19-17-14-7-1-2-9-16(14)27-21(17)23-18(20(19)25(31)28-24)15-8-5-6-13-12-26-10-3-4-11-29(23)22(13)15/h1-2,5-9,26-27H,3-4,10-12H2,(H,28,30,31)
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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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6714
PNG
(24-(2-aminoacetyl)-1,4,14,24-tetraazaheptacyclo[16...)
Show SMILES NCC(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C25H19N5O3/c26-10-16(31)29-8-9-30-22-12(11-29)4-3-6-14(22)18-20-19(24(32)28-25(20)33)17-13-5-1-2-7-15(13)27-21(17)23(18)30/h1-7,27H,8-11,26H2,(H,28,32,33)
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n/an/a 100n/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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6709
PNG
(7,8-difluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0...)
Show SMILES Fc1cc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2cc1F
Show InChI InChI=1S/C23H14F2N4O2/c24-12-6-11-14(7-13(12)25)27-19-15(11)17-18(23(31)28-22(17)30)16-10-3-1-2-9-8-26-4-5-29(20(9)10)21(16)19/h1-3,6-7,26-27H,4-5,8H2,(H,28,30,31)
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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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6713
PNG
(24-[(1-methyl-1H-imidazole-4-)sulfonyl]-1,4,14,24-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C27H20N6O4S/c1-31-12-18(28-13-31)38(36,37)32-9-10-33-24-14(11-32)5-4-7-16(24)20-22-21(26(34)30-27(22)35)19-15-6-2-3-8-17(15)29-23(19)25(20)33/h2-8,12-13,29H,9-11H2,1H3,(H,30,34,35)
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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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))		BDBM6716
PNG
(1,4,14,25-tetraazaheptacyclo[16.9.1.0^{2,17}.0^{3,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCCc4cccc(c34)c21
Show InChI InChI=1S/C24H18N4O2/c29-23-18-16-13-5-1-2-7-15(13)26-20(16)22-17(19(18)24(30)27-23)14-6-3-4-12-8-9-25-10-11-28(22)21(12)14/h1-7,25-26H,8-11H2,(H,27,29,30)
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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: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6706
PNG
(1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,17}.0^{3,...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCNCc4cccc(c34)c21
Show InChI InChI=1S/C23H16N4O2/c28-22-17-15-12-5-1-2-7-14(12)25-19(15)21-16(18(17)23(29)26-22)13-6-3-4-11-10-24-8-9-27(21)20(11)13/h1-7,24-25H,8-10H2,(H,26,28,29)
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n/an/a 160n/an/an/an/an/a25



Lilly Research Laboratories



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

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6707
PNG
(8-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...)
Show SMILES Fc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2c1
Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-14-13(8-11)15-17-18(23(30)27-22(17)29)16-12-3-1-2-10-9-25-6-7-28(20(10)12)21(16)19(15)26-14/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)
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n/an/a 200n/an/an/an/an/a25



Lilly Research Laboratories



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

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM6717
PNG
(1,4,14,24-tetraazaheptacyclo[16.10.1.0^{2,17}.0^{3...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1n3CCCCNCc4cccc(c34)c21
Show InChI InChI=1S/C25H20N4O2/c30-24-19-17-14-7-1-2-9-16(14)27-21(17)23-18(20(19)25(31)28-24)15-8-5-6-13-12-26-10-3-4-11-29(23)22(13)15/h1-2,5-9,26-27H,3-4,10-12H2,(H,28,30,31)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM6710
PNG
(7-(trifluoromethyl)-1,4,14,24-tetraazaheptacyclo[1...)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
Show InChI InChI=1S/C24H15F3N4O2/c25-24(26,27)11-4-5-12-14(8-11)29-19-15(12)17-18(23(33)30-22(17)32)16-13-3-1-2-10-9-28-6-7-31(20(10)13)21(16)19/h1-5,8,28-29H,6-7,9H2,(H,30,32,33)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6708
PNG
(7-fluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0^{2,...)
Show SMILES Fc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
Show InChI InChI=1S/C23H15FN4O2/c24-11-4-5-12-14(8-11)26-19-15(12)17-18(23(30)27-22(17)29)16-13-3-1-2-10-9-25-6-7-28(20(10)13)21(16)19/h1-5,8,25-26H,6-7,9H2,(H,27,29,30)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM6715
PNG
(24-(propan-2-yl)-1,4,14,24-tetraazaheptacyclo[16.8...)
Show SMILES CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C26H22N4O2/c1-13(2)29-10-11-30-23-14(12-29)6-5-8-16(23)19-21-20(25(31)28-26(21)32)18-15-7-3-4-9-17(15)27-22(18)24(19)30/h3-9,13,27H,10-12H2,1-2H3,(H,28,31,32)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6710
PNG
(7-(trifluoromethyl)-1,4,14,24-tetraazaheptacyclo[1...)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3cccc4CNCCn(c34)c12
Show InChI InChI=1S/C24H15F3N4O2/c25-24(26,27)11-4-5-12-14(8-11)29-19-15(12)17-18(23(33)30-22(17)32)16-13-3-1-2-10-9-28-6-7-31(20(10)13)21(16)19/h1-5,8,28-29H,6-7,9H2,(H,30,32,33)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6713
PNG
(24-[(1-methyl-1H-imidazole-4-)sulfonyl]-1,4,14,24-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C27H20N6O4S/c1-31-12-18(28-13-31)38(36,37)32-9-10-33-24-14(11-32)5-4-7-16(24)20-22-21(26(34)30-27(22)35)19-15-6-2-3-8-17(15)29-23(19)25(20)33/h2-8,12-13,29H,9-11H2,1H3,(H,30,34,35)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6709
PNG
(7,8-difluoro-1,4,14,24-tetraazaheptacyclo[16.8.1.0...)
Show SMILES Fc1cc2[nH]c3c(c4C(=O)NC(=O)c4c4c5cccc6CNCCn(c56)c34)c2cc1F
Show InChI InChI=1S/C23H14F2N4O2/c24-12-6-11-14(7-13(12)25)27-19-15(11)17-18(23(31)28-22(17)30)16-10-3-1-2-9-8-26-4-5-29(20(9)10)21(16)19/h1-3,6-7,26-27H,4-5,8H2,(H,28,30,31)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6715
PNG
(24-(propan-2-yl)-1,4,14,24-tetraazaheptacyclo[16.8...)
Show SMILES CC(C)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C26H22N4O2/c1-13(2)29-10-11-30-23-14(12-29)6-5-8-16(23)19-21-20(25(31)28-26(21)32)18-15-7-3-4-9-17(15)27-22(18)24(19)30/h3-9,13,27H,10-12H2,1-2H3,(H,28,31,32)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6712
PNG
(24-methanesulfonyl-1,4,14,24-tetraazaheptacyclo[16...)
Show SMILES CS(=O)(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C24H18N4O4S/c1-33(31,32)27-9-10-28-21-12(11-27)5-4-7-14(21)17-19-18(23(29)26-24(19)30)16-13-6-2-3-8-15(13)25-20(16)22(17)28/h2-8,25H,9-11H2,1H3,(H,26,29,30)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))		BDBM6714
PNG
(24-(2-aminoacetyl)-1,4,14,24-tetraazaheptacyclo[16...)
Show SMILES NCC(=O)N1CCn2c3c(C1)cccc3c1c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C25H19N5O3/c26-10-16(31)29-8-9-30-22-12(11-29)4-3-6-14(22)18-20-19(24(32)28-25(20)33)17-13-5-1-2-7-15(13)27-21(17)23(18)30/h1-7,27H,8-11,26H2,(H,28,32,33)
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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...

Bioorg Med Chem Lett 14: 3925-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.088
BindingDB Entry DOI: 10.7270/Q2TX3CKP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%