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15 molecules are shown

Wt: 460.3
BDBM6662
Wt: 460.3
BDBM6663
Wt: 428.3
BDBM6664
Wt: 428.3
BDBM6665
Wt: 425.2
BDBM6666
Wt: 425.2
BDBM6667
Wt: 489.3
BDBM6668
Wt: 489.3
BDBM6669
Wt: 461.3
BDBM6670
Wt: 503.3
BDBM6671
Wt: 565.4
BDBM6672
Wt: 426.2
BDBM6673
Wt: 383.2
BDBM6674
Wt: 474.3
BDBM6675
Wt: 462.2
BDBM6702

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 6662,6663,6664,6665,6666,6667,6668,6669,6670,6671,6672,6673,6674,6675,6702   
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))
BDBM6662
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 1.21E+3n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 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))
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))
BDBM6664
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[4-(methylsulfa...)
Show SMILES CSc1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 1.39E+4n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 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))
BDBM6665
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 1.77E+4n/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 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))
BDBM6666
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-2-1-3-16(23)19(15)20(28)13-6-9-18-26-17(11-27(18)10-13)25-14-7-4-12(5-8-14)21(24)29/h1-11,25H,(H2,24,29)
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n/an/a 1.63E+3n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 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))
BDBM6667
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-5-2-6-16(23)19(15)20(28)13-7-8-18-26-17(11-27(18)10-13)25-14-4-1-3-12(9-14)21(24)29/h1-11,25H,(H2,24,29)
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n/an/a 2.72E+3n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 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))
BDBM6668
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-9-7-15(8-10-16)25-19-13-28-12-14(6-11-20(28)26-19)22(29)21-17(23)4-3-5-18(21)24/h3-13,25H,1-2H3
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n/an/a 1.54E+3n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 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))
BDBM6669
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-6-3-5-15(11-16)25-19-13-28-12-14(9-10-20(28)26-19)22(29)21-17(23)7-4-8-18(21)24/h3-13,25H,1-2H3
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n/an/a 1.21E+4n/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 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))
BDBM6670
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29)
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n/an/a 560n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 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
3D
3D Structure (crystal)
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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n/an/a 250n/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 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))
BDBM6672
PNG
(N-{[4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(cc3)S(=O)(=O)NC(=O)c3ccccc3)cn2c1
Show InChI InChI=1S/C27H18Cl2N4O4S/c28-21-7-4-8-22(29)25(21)26(34)18-9-14-24-31-23(16-33(24)15-18)30-19-10-12-20(13-11-19)38(36,37)32-27(35)17-5-2-1-3-6-17/h1-16,30H,(H,32,35)
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n/an/a 670n/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 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))
BDBM6673
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES OC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H13Cl2N3O3/c22-15-2-1-3-16(23)19(15)20(27)13-6-9-18-25-17(11-26(18)10-13)24-14-7-4-12(5-8-14)21(28)29/h1-11,24H,(H,28,29)
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n/an/a 740n/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 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))
BDBM6674
PNG
(N-{6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]p...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccncc3)cn2c1
Show InChI InChI=1S/C19H12Cl2N4O/c20-14-2-1-3-15(21)18(14)19(26)12-4-5-17-24-16(11-25(17)10-12)23-13-6-8-22-9-7-13/h1-11H,(H,22,23)
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n/an/a>2.00E+4n/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 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))
BDBM6675
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-phenoxypheny...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)cn2c1
Show InChI InChI=1S/C26H17Cl2N3O2/c27-21-7-4-8-22(28)25(21)26(32)17-9-14-24-30-23(16-31(24)15-17)29-18-10-12-20(13-11-18)33-19-5-2-1-3-6-19/h1-16,29H
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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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6662
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 520n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6663
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(3-methanesulfo...)
Show SMILES CS(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 1.70E+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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6664
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[4-(methylsulfa...)
Show SMILES CSc1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 3.04E+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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6665
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 4.80E+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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6666
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-2-1-3-16(23)19(15)20(28)13-6-9-18-26-17(11-27(18)10-13)25-14-7-4-12(5-8-14)21(24)29/h1-11,25H,(H2,24,29)
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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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6667
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-5-2-6-16(23)19(15)20(28)13-7-8-18-26-17(11-27(18)10-13)25-14-4-1-3-12(9-14)21(24)29/h1-11,25H,(H2,24,29)
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n/an/a 1.92E+3n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6668
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-9-7-15(8-10-16)25-19-13-28-12-14(6-11-20(28)26-19)22(29)21-17(23)4-3-5-18(21)24/h3-13,25H,1-2H3
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n/an/a 970n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6669
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-6-3-5-15(11-16)25-19-13-28-12-14(9-10-20(28)26-19)22(29)21-17(23)7-4-8-18(21)24/h3-13,25H,1-2H3
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n/an/a 9.26E+3n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6670
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29)
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n/an/a 390n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(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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n/an/a 160n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6672
PNG
(N-{[4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(cc3)S(=O)(=O)NC(=O)c3ccccc3)cn2c1
Show InChI InChI=1S/C27H18Cl2N4O4S/c28-21-7-4-8-22(29)25(21)26(34)18-9-14-24-31-23(16-33(24)15-18)30-19-10-12-20(13-11-19)38(36,37)32-27(35)17-5-2-1-3-6-17/h1-16,30H,(H,32,35)
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n/an/a 250n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6673
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES OC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H13Cl2N3O3/c22-15-2-1-3-16(23)19(15)20(27)13-6-9-18-25-17(11-26(18)10-13)24-14-7-4-12(5-8-14)21(28)29/h1-11,24H,(H,28,29)
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n/an/a 450n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6674
PNG
(N-{6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]p...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccncc3)cn2c1
Show InChI InChI=1S/C19H12Cl2N4O/c20-14-2-1-3-15(21)18(14)19(26)12-4-5-17-24-16(11-25(17)10-12)23-13-6-8-22-9-7-13/h1-11H,(H,22,23)
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n/an/a>2.00E+4n/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 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
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6675
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-phenoxypheny...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)cn2c1
Show InChI InChI=1S/C26H17Cl2N3O2/c27-21-7-4-8-22(28)25(21)26(32)17-9-14-24-30-23(16-31(24)15-17)29-18-10-12-20(13-11-18)33-19-5-2-1-3-6-19/h1-16,29H
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n/an/a>2.00E+4n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6662
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-methanesulfo...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 1.22E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6663
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(3-methanesulfo...)
Show SMILES CS(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 3.14E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6664
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[4-(methylsulfa...)
Show SMILES CSc1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-8-6-14(7-9-15)24-18-12-26-11-13(5-10-19(26)25-18)21(27)20-16(22)3-2-4-17(20)23/h2-12,24H,1H3
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n/an/a 7.40E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6665
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3OS/c1-28-15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 1.19E+4n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6666
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-2-1-3-16(23)19(15)20(28)13-6-9-18-26-17(11-27(18)10-13)25-14-7-4-12(5-8-14)21(24)29/h1-11,25H,(H2,24,29)
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n/an/a 1.61E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6667
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NC(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-5-2-6-16(23)19(15)20(28)13-7-8-18-26-17(11-27(18)10-13)25-14-4-1-3-12(9-14)21(24)29/h1-11,25H,(H2,24,29)
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n/an/a 3.95E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6668
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-9-7-15(8-10-16)25-19-13-28-12-14(6-11-20(28)26-19)22(29)21-17(23)4-3-5-18(21)24/h3-13,25H,1-2H3
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n/an/a 2.16E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6669
PNG
(3-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C22H18Cl2N4O3S/c1-27(2)32(30,31)16-6-3-5-15(11-16)25-19-13-28-12-14(9-10-20(28)26-19)22(29)21-17(23)7-4-8-18(21)24/h3-13,25H,1-2H3
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n/an/a>2.00E+4n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6670
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES NS(=O)(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C20H14Cl2N4O3S/c21-15-2-1-3-16(22)19(15)20(27)12-4-9-18-25-17(11-26(18)10-12)24-13-5-7-14(8-6-13)30(23,28)29/h1-11,24H,(H2,23,28,29)
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n/an/a 1.34E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(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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n/an/a 1.29E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6672
PNG
(N-{[4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(cc3)S(=O)(=O)NC(=O)c3ccccc3)cn2c1
Show InChI InChI=1S/C27H18Cl2N4O4S/c28-21-7-4-8-22(29)25(21)26(34)18-9-14-24-31-23(16-33(24)15-18)30-19-10-12-20(13-11-19)38(36,37)32-27(35)17-5-2-1-3-6-17/h1-16,30H,(H,32,35)
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n/an/a 3.84E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6673
PNG
(4-({6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]...)
Show SMILES OC(=O)c1ccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C21H13Cl2N3O3/c22-15-2-1-3-16(23)19(15)20(27)13-6-9-18-25-17(11-26(18)10-13)24-14-7-4-12(5-8-14)21(28)29/h1-11,24H,(H,28,29)
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n/an/a 4.99E+3n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6674
PNG
(N-{6-[(2,6-dichlorophenyl)carbonyl]imidazo[1,2-a]p...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccncc3)cn2c1
Show InChI InChI=1S/C19H12Cl2N4O/c20-14-2-1-3-15(21)18(14)19(26)12-4-5-17-24-16(11-25(17)10-12)23-13-6-8-22-9-7-13/h1-11H,(H,22,23)
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n/an/a>2.00E+4n/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 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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM6675
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(4-phenoxypheny...)
Show SMILES Clc1cccc(Cl)c1C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)cn2c1
Show InChI InChI=1S/C26H17Cl2N3O2/c27-21-7-4-8-22(28)25(21)26(32)17-9-14-24-30-23(16-31(24)15-17)29-18-10-12-20(13-11-18)33-19-5-2-1-3-6-19/h1-16,29H
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n/an/a>2.00E+4n/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 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))
BDBM6663
PNG
(6-[(2,6-dichlorophenyl)carbonyl]-N-(3-methanesulfo...)
Show SMILES CS(=O)(=O)c1cccc(Nc2cn3cc(ccc3n2)C(=O)c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C21H15Cl2N3O3S/c1-30(28,29)15-5-2-4-14(10-15)24-18-12-26-11-13(8-9-19(26)25-18)21(27)20-16(22)6-3-7-17(20)23/h2-12,24H,1H3
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n/an/a 2.86E+3n/an/an/an/a7.022



Lilly Research Laboratories



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


Bioorg Med Chem Lett 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