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Compile Data Set for Download or QSAR

Found 59 hits from Avenida de la Industria   
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))
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))
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/an/a



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
Cyclin-Dependent Kinase 1 (CDK1)


(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 53n/an/an/an/an/an/a



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/an/a



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
Cyclin-Dependent Kinase 1 (CDK1)


(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 57n/an/an/an/an/an/a



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))
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



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))
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



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))
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



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
Cyclin-Dependent Kinase 1 (CDK1)


(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 93n/an/an/an/an/an/a



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))
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



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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6690
PNG
(6-[(Z)-1-(2,6-difluorophenyl)-2-(1H-1,2,3,4-tetraz...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=Cc1nnn[nH]1)c1c(F)cccc1F
Show InChI InChI=1S/C23H13F4N7O/c24-13-3-1-4-14(25)19(13)12(9-17-30-32-33-31-17)11-7-8-18-29-23(28)21(34(18)10-11)22(35)20-15(26)5-2-6-16(20)27/h1-10H,28H2,(H,30,31,32,33)
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n/an/a 96n/an/an/an/an/an/a



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))
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



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
Cyclin-Dependent Kinase 1 (CDK1)


(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 104n/an/an/an/an/an/a



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
Cyclin-Dependent Kinase 1 (CDK1)


(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 105n/an/an/an/an/an/a



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))
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



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))
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



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
Cyclin-Dependent Kinase 1 (CDK1)


(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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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
Cyclin-Dependent Kinase 1 (CDK1)


(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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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
Cyclin-Dependent Kinase 1 (CDK1)


(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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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))
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



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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
Cyclin-Dependent Kinase 1 (CDK1)


(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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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
Cyclin-Dependent Kinase 1 (CDK1)


(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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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))
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



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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
Cyclin-Dependent Kinase 1 (CDK1)


(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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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))
BDBM6676
PNG
(3-benzoyl-6-[(2,6-difluorophenyl)carbonyl]imidazo[...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1ccccc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H13F2N3O2/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 324n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6676
PNG
(3-benzoyl-6-[(2,6-difluorophenyl)carbonyl]imidazo[...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1ccccc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H13F2N3O2/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 326n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 1 (CDK1)


(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 328n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 359n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6692
PNG
(6-[(2-chlorophenyl)carbonyl]-3-[(2,6-difluoropheny...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C21H12ClF2N3O2/c22-13-5-2-1-4-12(13)19(28)11-8-9-16-26-21(25)18(27(16)10-11)20(29)17-14(23)6-3-7-15(17)24/h1-10H,25H2
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n/an/a 428n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 464n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 1 (CDK1)


(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 475n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6699
PNG
(6-[(2,6-difluorophenyl)carbonyl]-3-(thiophen-2-ylc...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1cccs1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H11F2N3O2S/c20-11-3-1-4-12(21)15(11)17(25)10-6-7-14-23-19(22)16(24(14)9-10)18(26)13-5-2-8-27-13/h1-9H,22H2
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n/an/a 547n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6695
PNG
(3-[(2,6-difluorophenyl)carbonyl]-6-[(2-methoxyphen...)
Show SMILES COc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
Show InChI InChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)20(28)12-9-10-17-26-22(25)19(27(17)11-12)21(29)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3
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n/an/a 603n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 786n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 810n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6704
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-3-({2,6-difluoro-...)
Show SMILES CN1CCN(CCOc2cc(F)c(C(=O)c3c(N)nc4ccc(cn34)C(=O)c3c(Cl)cccc3Cl)c(F)c2)CC1
Show InChI InChI=1S/C28H25Cl2F2N5O3/c1-35-7-9-36(10-8-35)11-12-40-17-13-20(31)24(21(32)14-17)27(39)25-28(33)34-22-6-5-16(15-37(22)25)26(38)23-18(29)3-2-4-19(23)30/h2-6,13-15H,7-12,33H2,1H3
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n/an/a 812n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 827n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 838n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6705
PNG
((2Z)-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 896n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6703
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-3-({4-[2-(diethyl...)
Show SMILES CCN(CC)CCOc1cc(F)c(C(=O)c2c(N)nc3ccc(cn23)C(=O)c2c(Cl)cccc2Cl)c(F)c1
Show InChI InChI=1S/C27H24Cl2F2N4O3/c1-3-34(4-2)10-11-38-16-12-19(30)23(20(31)13-16)26(37)24-27(32)33-21-9-8-15(14-35(21)24)25(36)22-17(28)6-5-7-18(22)29/h5-9,12-14H,3-4,10-11,32H2,1-2H3
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n/an/a 984n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 1.03E+3n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6693
PNG
(3-[(2,6-difluorophenyl)carbonyl]-6-{[2-(trifluorom...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H12F5N3O2/c23-14-6-3-7-15(24)17(14)20(32)18-21(28)29-16-9-8-11(10-30(16)18)19(31)12-4-1-2-5-13(12)22(25,26)27/h1-10H,28H2
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n/an/a 1.07E+3n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 1.08E+3n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 1.14E+3n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6694
PNG
(3-[(2,6-difluorophenyl)carbonyl]-6-[(2-methylpheny...)
Show SMILES Cc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
Show InChI InChI=1S/C22H15F2N3O2/c1-12-5-2-3-6-14(12)20(28)13-9-10-17-26-22(25)19(27(17)11-13)21(29)18-15(23)7-4-8-16(18)24/h2-11H,25H2,1H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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
Cyclin-Dependent Kinase 4 (CDK4)


(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 1.55E+3n/an/an/an/an/an/a



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


Bioorg Med Chem Lett 14: 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))
BDBM6690
PNG
(6-[(Z)-1-(2,6-difluorophenyl)-2-(1H-1,2,3,4-tetraz...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=Cc1nnn[nH]1)c1c(F)cccc1F
Show InChI InChI=1S/C23H13F4N7O/c24-13-3-1-4-14(25)19(13)12(9-17-30-32-33-31-17)11-7-8-18-29-23(28)21(34(18)10-11)22(35)20-15(26)5-2-6-16(20)27/h1-10H,28H2,(H,30,31,32,33)
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n/an/a 1.69E+3n/an/an/an/a7.022



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


Bioorg Med Chem Lett 14: 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
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