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15 molecules are shown

Wt: 377.3
BDBM6676
Wt: 413.3
BDBM6677
Wt: 429.7
BDBM6678
Wt: 407.3
BDBM6680
Wt: 446.2
BDBM6681
Wt: 429.7
BDBM6687
Wt: 411.3
BDBM6688
Wt: 377.3
BDBM6691
Wt: 411.7
BDBM6692
Wt: 445.3
BDBM6693
Wt: 391.3
BDBM6694
Wt: 407.3
BDBM6695
Wt: 446.2
BDBM6697
Wt: 411.7
BDBM6700
Wt: 378.3
BDBM6701

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 6676,6677,6678,6680,6681,6687,6688,6691,6692,6693,6694,6695,6697,6700,6701   
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))
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/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
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (human))
BDBM6701
PNG
(6-[(2,6-difluorophenyl)carbonyl]-3-(pyridin-4-ylca...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1ccncc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C20H12F2N4O2/c21-13-2-1-3-14(22)16(13)18(27)12-4-5-15-25-20(23)17(26(15)10-12)19(28)11-6-8-24-9-7-11/h1-10H,23H2
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n/an/a 2.54E+3n/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))
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))
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))
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))
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



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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))
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
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/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
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/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
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/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
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/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
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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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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n/an/a 209n/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
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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n/an/a 239n/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
Cyclin-Dependent Kinase 4 (CDK4)


(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 5.05E+3n/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
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/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
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/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
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/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
Cyclin-Dependent Kinase 4 (CDK4)


(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 1.97E+3n/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
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/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
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/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))
BDBM6691
PNG
(6-benzoyl-3-[(2,6-difluorophenyl)carbonyl]imidazo[...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1c(F)cccc1F)C(=O)c1ccccc1
Show InChI InChI=1S/C21H13F2N3O2/c22-14-7-4-8-15(23)17(14)20(28)18-21(24)25-16-10-9-13(11-26(16)18)19(27)12-5-2-1-3-6-12/h1-11H,24H2
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n/an/a 1.93E+3n/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))
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/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))
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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PubMed
n/an/a 1.07E+3n/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))
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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PubMed
n/an/a 1.29E+3n/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))
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/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))
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))
BDBM6700
PNG
(3-[(4-chlorophenyl)carbonyl]-6-[(2,6-difluoropheny...)
Show SMILES Nc1nc2ccc(cn2c1C(=O)c1ccc(Cl)cc1)C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C21H12ClF2N3O2/c22-13-7-4-11(5-8-13)20(29)18-21(25)26-16-9-6-12(10-27(16)18)19(28)17-14(23)2-1-3-15(17)24/h1-10H,25H2
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n/an/a 1.71E+3n/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))
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