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Compile Data Set for Download or QSAR

Found 144 hits of Enz. Inhib. data with enzyme = 'CDK2/CycE' and Substrate = 'ING Peptide'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(Homo sapiens (human))
BDBM6800
PNG
(6-hydroxy-3,13,18-triazahexacyclo[14.7.0.0^{2,10}....)
Show SMILES Oc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12
Show InChI InChI=1S/C20H11N3O3/c24-9-2-4-10-12(7-9)22-18-11-3-1-8-5-6-21-17(8)14(11)16-15(13(10)18)19(25)23-20(16)26/h1-7,21-22,24H,(H,23,25,26)
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n/an/a 6n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6818
PNG
(3-(3-hydroxypropyl)-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4[nH]ccc4ccc3c12
Show InChI InChI=1S/C23H17N3O3/c27-11-3-10-26-15-5-2-1-4-13(15)17-19-18(22(28)25-23(19)29)16-14(21(17)26)7-6-12-8-9-24-20(12)16/h1-2,4-9,24,27H,3,10-11H2,(H,25,28,29)
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n/an/a 8n/an/an/an/an/a25



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
CDK2/CycE


(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 9n/an/an/an/an/a25



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
CDK2/CycE


(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 10n/an/an/an/an/a25



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
CDK2/CycE


(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
CDK2/CycE


(Homo sapiens (human))
BDBM6815
PNG
(6-fluoro-18,23-dimethyl-3,13,18-triazahexacyclo[14...)
Show SMILES Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12
Show InChI InChI=1S/C22H14FN3O2/c1-9-7-10-5-6-26(2)20(10)16-14(9)19-15(17-18(16)22(28)25-21(17)27)12-4-3-11(23)8-13(12)24-19/h3-8,24H,1-2H3,(H,25,27,28)
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n/an/a 23n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6683
PNG
(aminoimidazo[1,2-a]pyridine deriv. 18 | {2-amino-6...)
Show SMILES Nc1nc2ccc(cn2c1C(=S)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3OS/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 26n/an/an/an/a7.022



Avenida de la Industria



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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6684
PNG
(aminoimidazo[1,2-a]pyridine deriv. 20 | {2-amino-6...)
Show SMILES COc1cc(F)c(C(=S)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
Show InChI InChI=1S/C22H13F4N3O2S/c1-31-11-7-14(25)18(15(26)8-11)21(32)19-22(27)28-16-6-5-10(9-29(16)19)20(30)17-12(23)3-2-4-13(17)24/h2-9H,27H2,1H3
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n/an/a 29n/an/an/an/a7.022



Avenida de la Industria



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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6687
PNG
(6-[(2-chloro-6-fluorophenyl)carbonyl]-3-[(2,6-difl...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(F)cccc1Cl
Show InChI InChI=1S/C21H11ClF3N3O2/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 33n/an/an/an/a7.022



Avenida de la Industria



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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6814
PNG
(22-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7....)
Show SMILES COc1cc2c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c2c2n(C)ccc12
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-11-14(28-2)9-12-16(20(11)25)18-17(21(26)24-22(18)27)15-10-5-3-4-6-13(10)23-19(12)15/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 35n/an/an/an/an/a25



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
CDK2/CycE


(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
CDK2/CycE


(Homo sapiens (human))
BDBM6686
PNG
(4-({2-amino-6-[(2,6-dichlorophenyl)carbonyl]imidaz...)
Show SMILES NC(=O)c1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C22H12Cl2F2N4O3/c23-11-2-1-3-12(24)16(11)19(31)9-4-5-15-29-21(27)18(30(15)8-9)20(32)17-13(25)6-10(22(28)33)7-14(17)26/h1-8H,27H2,(H2,28,33)
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n/an/a 46n/an/an/an/a7.022



Avenida de la Industria



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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6702
PNG
(4-({2-amino-6-[(2,6-dichlorophenyl)carbonyl]imidaz...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cc(O)cc1F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H11Cl2F2N3O3/c22-11-2-1-3-12(23)16(11)19(30)9-4-5-15-27-21(26)18(28(15)8-9)20(31)17-13(24)6-10(29)7-14(17)25/h1-8,29H,26H2
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n/an/a 52n/an/an/an/an/a25



Avenida de la Industria



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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6697
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-3-[(2,6-difluorop...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C21H11Cl2F2N3O2/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 53n/an/an/an/an/a25



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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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6816
PNG
(6-methoxy-18,23-dimethyl-3,13,18-triazahexacyclo[1...)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3cc(C)c12
Show InChI InChI=1S/C23H17N3O3/c1-10-8-11-6-7-26(2)21(11)17-15(10)20-16(18-19(17)23(28)25-22(18)27)13-5-4-12(29-3)9-14(13)24-20/h4-9,24H,1-3H3,(H,25,27,28)
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n/an/a 57n/an/an/an/an/a25



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
CDK2/CycE


(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<60n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6688
PNG
(3-[(2,6-difluorophenyl)carbonyl]-6-[1-(2,6-difluor...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=C)c1c(F)cccc1F
Show InChI InChI=1S/C22H13F4N3O/c1-11(18-13(23)4-2-5-14(18)24)12-8-9-17-28-22(27)20(29(17)10-12)21(30)19-15(25)6-3-7-16(19)26/h2-10H,1,27H2
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n/an/a 63n/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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(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 64n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6819
PNG
(3-(3-hydroxypropyl)-18-methyl-3,13,18-triazahexacy...)
Show SMILES Cn1ccc2ccc3c4n(CCCO)c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C24H19N3O3/c1-26-11-9-13-7-8-15-18(21(13)26)20-19(23(29)25-24(20)30)17-14-5-2-3-6-16(14)27(22(15)17)10-4-12-28/h2-3,5-9,11,28H,4,10,12H2,1H3,(H,25,29,30)
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n/an/a 67n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6813
PNG
(23-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7....)
Show SMILES COc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-9-13(28-2)15-16(20(10)25)18-17(21(26)24-22(18)27)14-11-5-3-4-6-12(11)23-19(14)15/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 67n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6680
PNG
(6-[(2,6-difluorophenyl)carbonyl]-3-[(2-methoxyphen...)
Show SMILES COc1ccccc1C(=O)c1c(N)nc2ccc(cn12)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)21(29)19-22(25)26-17-10-9-12(11-27(17)19)20(28)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3
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n/an/a 68n/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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6811
PNG
(18,23-dimethyl-3,13,18-triazahexacyclo[14.7.0.0^{2...)
Show SMILES Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C22H15N3O2/c1-10-9-11-7-8-25(2)20(11)16-14(10)19-15(12-5-3-4-6-13(12)23-19)17-18(16)22(27)24-21(17)26/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 70n/an/an/an/an/a25



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
CDK2/CycE


(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 75n/an/an/an/an/a25



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
CDK2/CycE


(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 75n/an/an/an/an/a25



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
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/a25



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))
BDBM6812
PNG
(23-fluoro-18-methyl-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-7-6-9-8-11(22)14-15(19(9)25)17-16(20(26)24-21(17)27)13-10-4-2-3-5-12(10)23-18(13)14/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 86n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6829
PNG
(3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-me...)
Show SMILES COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C26H24N4O4/c1-29-10-7-14-3-5-17-20(23(14)29)22-21(25(32)28-26(22)33)19-16-6-4-15(34-2)13-18(16)30(24(17)19)11-8-27-9-12-31/h3-7,10,13,27,31H,8-9,11-12H2,1-2H3,(H,28,32,33)
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n/an/a 89n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6679
PNG
(3-[(2,6-difluoro-4-methoxyphenyl)carbonyl]-6-[(2,6...)
Show SMILES COc1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(F)cccc2F)c(F)c1
Show InChI InChI=1S/C22H13F4N3O3/c1-32-11-7-14(25)18(15(26)8-11)21(31)19-22(27)28-16-6-5-10(9-29(16)19)20(30)17-12(23)3-2-4-13(17)24/h2-9H,27H2,1H3
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n/an/a 91n/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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6685
PNG
(4-({2-amino-6-[(2,6-dichlorophenyl)carbonyl]imidaz...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C22H11Cl2F2N3O4/c23-11-2-1-3-12(24)16(11)19(30)9-4-5-15-28-21(27)18(29(15)8-9)20(31)17-13(25)6-10(22(32)33)7-14(17)26/h1-8H,27H2,(H,32,33)
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n/an/a 95n/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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6821
PNG
(3-(2-hydroxyethyl)-6-methoxy-18-methyl-3,13,18-tri...)
Show SMILES COc1ccc2c(c1)n(CCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C24H19N3O4/c1-26-8-7-12-3-5-15-18(21(12)26)20-19(23(29)25-24(20)30)17-14-6-4-13(31-2)11-16(14)27(9-10-28)22(15)17/h3-8,11,28H,9-10H2,1-2H3,(H,25,29,30)
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n/an/a 101n/an/an/an/an/a25



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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 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
CDK2/CycE


(Homo sapiens (human))
BDBM6678
PNG
(3-[(2-chloro-6-fluorophenyl)carbonyl]-6-[(2,6-difl...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1Cl)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11ClF3N3O2/c22-11-3-1-4-12(23)16(11)20(30)18-21(26)27-15-8-7-10(9-28(15)18)19(29)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 102n/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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6803
PNG
(6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0...)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-3-5-13-16(20(10)25)18-17(21(26)24-22(18)27)15-12-6-4-11(28-2)9-14(12)23-19(13)15/h3-9,23H,1-2H3,(H,24,26,27)
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n/an/a 112n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6822
PNG
(3-(3-hydroxypropyl)-6-methoxy-18-methyl-3,13,18-tr...)
Show SMILES COc1ccc2c(c1)n(CCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C25H21N3O4/c1-27-10-8-13-4-6-16-19(22(13)27)21-20(24(30)26-25(21)31)18-15-7-5-14(32-2)12-17(15)28(23(16)18)9-3-11-29/h4-8,10,12,29H,3,9,11H2,1-2H3,(H,26,30,31)
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n/an/a 113n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6681
PNG
(3-[(2,6-dichlorophenyl)carbonyl]-6-[(2,6-difluorop...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(Cl)cccc1Cl)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11Cl2F2N3O2/c22-11-3-1-4-12(23)16(11)20(30)18-21(26)27-15-8-7-10(9-28(15)18)19(29)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 121n/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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6677
PNG
(3,6-bis[(2,6-difluorophenyl)carbonyl]imidazo[1,2-a...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3O2/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
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n/an/a 122n/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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6802
PNG
(6-methoxy-3,13,18-triazahexacyclo[14.7.0.0^{2,10}....)
Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12
Show InChI InChI=1S/C21H13N3O3/c1-27-10-3-5-11-13(8-10)23-19-12-4-2-9-6-7-22-18(9)15(12)17-16(14(11)19)20(25)24-21(17)26/h2-8,22-23H,1H3,(H,24,25,26)
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n/an/a 125n/an/an/an/an/a25



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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 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
CDK2/CycE


(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 140n/an/an/an/an/a25



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
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/a25



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))
BDBM6772
PNG
(3-[3-(methylamino)propyl]-3,13,23-triazahexacyclo[...)
Show SMILES CNCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C24H20N4O2/c1-25-11-6-12-28-16-10-5-3-8-14(16)18-20-19(23(29)27-24(20)30)17-13-7-2-4-9-15(13)26-21(17)22(18)28/h2-5,7-10,25-26H,6,11-12H2,1H3,(H,27,29,30)
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n/an/a 160n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6689
PNG
((2E)-3-{2-amino-3-[(2,6-difluorophenyl)carbonyl]im...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=C/C#N)\c1c(F)cccc1F
Show InChI InChI=1S/C23H12F4N4O/c24-14-3-1-4-15(25)19(14)13(9-10-28)12-7-8-18-30-23(29)21(31(18)11-12)22(32)20-16(26)5-2-6-17(20)27/h1-9,11H,29H2/b13-9+
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n/an/a 160n/an/an/an/a7.022



Avenida de la Industria



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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6770
PNG
(3-(3-hydroxypropyl)-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES OCCCn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12
Show InChI InChI=1S/C23H17N3O3/c27-11-5-10-26-15-9-4-2-7-13(15)17-19-18(22(28)25-23(19)29)16-12-6-1-3-8-14(12)24-20(16)21(17)26/h1-4,6-9,24,27H,5,10-11H2,(H,25,28,29)
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n/an/a 180n/an/an/an/an/a25



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
CDK2/CycE


(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 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
CDK2/CycE


(Homo sapiens (human))
BDBM6809
PNG
(5-(2-hydroxyethyl)-18-methyl-3,13,18-triazahexacyc...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCO)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C23H17N3O3/c1-26-9-7-12-5-6-14-16(21(12)26)18-17(22(28)25-23(18)29)15-13-4-2-3-11(8-10-27)19(13)24-20(14)15/h2-7,9,24,27H,8,10H2,1H3,(H,25,28,29)
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n/an/a 210n/an/an/an/an/a25



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
CDK2/CycE


(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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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
CDK2/CycE


(Homo sapiens (human))
BDBM6682
PNG
(aminoimidazo[1,2-a]pyridine deriv. 17 | {2-amino-6...)
Show SMILES Nc1nc2ccc(cn2c1C(=S)c1ccccc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H13F2N3OS/c22-14-7-4-8-15(23)17(14)19(27)13-9-10-16-25-21(24)18(26(16)11-13)20(28)12-5-2-1-3-6-12/h1-11H,24H2
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n/an/a 214n/an/an/an/a7.022



Avenida de la Industria



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: 6095-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.053
BindingDB Entry DOI: 10.7270/Q2ZP44BV
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/a25



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/a25



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))
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 225n/an/an/an/an/a25



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
CDK2/CycE


(Homo sapiens (human))
BDBM6671
PNG
(3-{[4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,...)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H16Cl2N6O3S/c22-15-2-1-3-16(23)19(15)20(30)12-4-9-18-27-17(11-29(18)10-12)26-13-5-7-14(8-6-13)33(31,32)28-21(24)25/h1-11,26H,(H4,24,25,28)
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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 15: 1943-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.052
BindingDB Entry DOI: 10.7270/Q23F4MTR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM6760
PNG
((+)-K-252a | CHEMBL281948 | K-252a | methyl (15S,1...)
Show SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27-/m0/s1
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n/an/a 260n/an/an/an/an/a25



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
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