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Compile Data Set for Download or QSAR

Found 2797 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4'   
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))
BDBM6780
PNG
(3-[1-(2,3-dihydroxypropyl)-1H-indol-3-yl]-4-(1-met...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CC(O)CO)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C24H21N3O4/c1-26-11-17(15-6-2-4-8-19(15)26)21-22(24(31)25-23(21)30)18-12-27(10-14(29)13-28)20-9-5-3-7-16(18)20/h2-9,11-12,14,28-29H,10,13H2,1H3,(H,25,30,31)
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n/an/a 2.14E+3n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



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 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6781
PNG
(3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahe...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4n(CC(O)CO)c3c12
Show InChI InChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31)
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n/an/a 260n/an/an/an/a7.022



DCR&T, Lilly Spain S.A.



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 13: 3841-6 (2003)


Article DOI: 10.1016/S0960-894X(03)00792-3
BindingDB Entry DOI: 10.7270/Q2FN14C5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 59n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 140n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6782
PNG
(3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1ccc3cc[nH]c3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-10-3-1-2-4-12(10)22-18(13)11-6-5-9-7-8-21-17(9)14(11)16(15)20(25)23-19/h1-8,21-22H,(H,23,24,25)
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n/an/a 36n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6783
PNG
(18-methyl-3,13,18-triazahexacyclo[14.7.0.0^{2,10}....)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H13N3O2/c1-24-9-8-10-6-7-12-15(19(10)24)17-16(20(25)23-21(17)26)14-11-4-2-3-5-13(11)22-18(12)14/h2-9,22H,1H3,(H,23,25,26)
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n/an/a 47n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6784
PNG
(18-ethyl-3,13,18-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES CCn1ccc2ccc3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C22H15N3O2/c1-2-25-10-9-11-7-8-13-16(20(11)25)18-17(21(26)24-22(18)27)15-12-5-3-4-6-14(12)23-19(13)15/h3-10,23H,2H2,1H3,(H,24,26,27)
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n/an/a 59n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6785
PNG
(8-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0....)
Show SMILES Cn1ccc2ccc3c4[nH]c5cccc(F)c5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-8-7-9-5-6-10-13(19(9)25)16-17(21(27)24-20(16)26)15-14-11(22)3-2-4-12(14)23-18(10)15/h2-8,23H,1H3,(H,24,26,27)
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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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6786
PNG
(8-bromo-18-methyl-3,13,18-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cccc(Br)c5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-8-7-9-5-6-10-13(19(9)25)16-17(21(27)24-20(16)26)15-14-11(22)3-2-4-12(14)23-18(10)15/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 171n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6787
PNG
(8-(hydroxymethyl)-18-methyl-3,13,18-triazahexacycl...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cccc(CO)c5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-5-6-12-15(20(10)25)17-18(22(28)24-21(17)27)16-14-11(9-26)3-2-4-13(14)23-19(12)16/h2-8,23,26H,9H2,1H3,(H,24,27,28)
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n/an/a 155n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6788
PNG
(8-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES COc1cccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c12
Show InChI InChI=1S/C22H15N3O3/c1-25-9-8-10-6-7-11-14(20(10)25)17-18(22(27)24-21(17)26)16-15-12(23-19(11)16)4-3-5-13(15)28-2/h3-9,23H,1-2H3,(H,24,26,27)
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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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6789
PNG
(7-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0....)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccc(F)cc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-2-4-11-15(19(9)25)17-16(20(26)24-21(17)27)14-12-8-10(22)3-5-13(12)23-18(11)14/h2-8,23H,1H3,(H,24,26,27)
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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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6790
PNG
(7-bromo-18-methyl-3,13,18-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccc(Br)cc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-7-6-9-2-4-11-15(19(9)25)17-16(20(26)24-21(17)27)14-12-8-10(22)3-5-13(12)23-18(11)14/h2-8,23H,1H3,(H,24,26,27)
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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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6791
PNG
(18-methyl-7-(trifluoromethyl)-3,13,18-triazahexacy...)
Show SMILES Cn1ccc2ccc3c4[nH]c5ccc(cc5c4c4C(=O)NC(=O)c4c3c12)C(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c1-28-7-6-9-2-4-11-15(19(9)28)17-16(20(29)27-21(17)30)14-12-8-10(22(23,24)25)3-5-13(12)26-18(11)14/h2-8,26H,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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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))
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))
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))
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))
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))
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))
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))
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 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))
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))
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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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))
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 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))
BDBM6792
PNG
(7,18-dimethyl-3,13,18-triazahexacyclo[14.7.0.0^{2,...)
Show SMILES Cc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1
Show InChI InChI=1S/C22H15N3O2/c1-10-3-6-14-13(9-10)15-17-18(22(27)24-21(17)26)16-12(19(15)23-14)5-4-11-7-8-25(2)20(11)16/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 393n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6793
PNG
(7-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES COc1ccc2[nH]c3c(c4C(=O)NC(=O)c4c4c5n(C)ccc5ccc34)c2c1
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-3-5-12-16(20(10)25)18-17(21(26)24-22(18)27)15-13-9-11(28-2)4-6-14(13)23-19(12)15/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 519n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6794
PNG
(6-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0....)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(F)ccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-2-4-12-15(19(9)25)17-16(20(26)24-21(17)27)14-11-5-3-10(22)8-13(11)23-18(12)14/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 38n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6795
PNG
(6-bromo-18-methyl-3,13,18-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(Br)ccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-7-6-9-2-4-12-15(19(9)25)17-16(20(26)24-21(17)27)14-11-5-3-10(22)8-13(11)23-18(12)14/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 38n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6796
PNG
(18-methyl-6-(trifluoromethyl)-3,13,18-triazahexacy...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C(F)(F)F
Show InChI InChI=1S/C22H12F3N3O2/c1-28-7-6-9-2-4-12-15(19(9)28)17-16(20(29)27-21(17)30)14-11-5-3-10(22(23,24)25)8-13(11)26-18(12)14/h2-8,26H,1H3,(H,27,29,30)
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n/an/a 76n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6797
PNG
(18-methyl-12,14-dioxo-3,13,18-triazahexacyclo[14.7...)
Show SMILES Cn1ccc2ccc3c4[nH]c5cc(ccc5c4c4C(=O)NC(=O)c4c3c12)C#N
Show InChI InChI=1S/C22H12N4O2/c1-26-7-6-11-3-5-13-16(20(11)26)18-17(21(27)25-22(18)28)15-12-4-2-10(9-23)8-14(12)24-19(13)15/h2-8,24H,1H3,(H,25,27,28)
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n/an/a 29n/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 13: 2261-7 (2003)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a 160n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6858
PNG
(8-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C20H10BrN3O2/c21-9-5-3-7-11-13(9)14-16-15(19(25)24-20(16)26)12-8-4-1-2-6-10(8)22-17(12)18(14)23-11/h1-7,22-23H,(H,24,25,26)
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n/an/a 80n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6859
PNG
(7-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
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n/an/a 4.40E+3n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6860
PNG
(6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
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n/an/a 76n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
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n/an/a 1.62E+4n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6768
PNG
(20-bromo-3-methyl-3,13,23-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(Br)cc4[nH]c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 74n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6862
PNG
(6-fluoro-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES Fc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10FN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
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n/an/a 103n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6766
PNG
(20-fluoro-3-methyl-3,13,23-triazahexacyclo[14.7.0....)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 42n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6854
PNG
(6-chloro-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES Clc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10ClN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
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n/an/a 72n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6864
PNG
(6-methyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES Cc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H13N3O2/c1-9-6-7-11-13(8-9)23-19-15(11)17-16(20(25)24-21(17)26)14-10-4-2-3-5-12(10)22-18(14)19/h2-8,22-23H,1H3,(H,24,25,26)
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n/an/a 226n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6855
PNG
(6-(trifluoromethyl)-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H10F3N3O2/c22-21(23,24)8-5-6-10-12(7-8)26-18-14(10)16-15(19(28)27-20(16)29)13-9-3-1-2-4-11(9)25-17(13)18/h1-7,25-26H,(H,27,28,29)
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n/an/a 1.14E+3n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6856
PNG
(6-methoxy-3,13,23-triazahexacyclo[14.7.0.0^{2,10}....)
Show SMILES COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H13N3O3/c1-27-9-6-7-11-13(8-9)23-19-15(11)17-16(20(25)24-21(17)26)14-10-4-2-3-5-12(10)22-18(14)19/h2-8,22-23H,1H3,(H,24,25,26)
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n/an/a 134n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6857
PNG
(6-bromo-20-methoxy-3,13,23-triazahexacyclo[14.7.0....)
Show SMILES COc1ccc2c(c1)[nH]c1c3[nH]c4cc(Br)ccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H12BrN3O3/c1-28-9-3-5-11-13(7-9)24-19-15(11)17-16(20(26)25-21(17)27)14-10-4-2-8(22)6-12(10)23-18(14)19/h2-7,23-24H,1H3,(H,25,26,27)
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n/an/a 630n/an/an/an/a7.022



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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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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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))
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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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))
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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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))
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 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))
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
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
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