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15 molecules are shown

Wt: 471.6
BDBM11428
Wt: 454.5
BDBM11430
Wt: 463.9
BDBM11431
Wt: 508.4
BDBM11432
Wt: 499.6
BDBM11433
Wt: 471.6
BDBM11436
Wt: 402.5
BDBM11438
Wt: 503.0
BDBM11440
Wt: 541.4
BDBM11441
Wt: 322.7
BDBM11442
Wt: 364.8
BDBM11443
Wt: 361.4
BDBM11451
Wt: 401.4
BDBM11454
Wt: 463.5
BDBM11455
Wt: 235.6
BDBM24632

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 11428,11430,11431,11432,11433,11436,11438,11440,11441,11442,11443,11451,11454,11455,24632   
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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11451
PNG
(4-{[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimid...)
Show SMILES CCN(CC)c1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1
Show InChI InChI=1S/C15H19N7O2S/c1-3-21(4-2)13-9-14(22-15(20-13)17-10-18-22)19-11-5-7-12(8-6-11)25(16,23)24/h5-10,19H,3-4H2,1-2H3,(H2,16,23,24)
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n/an/a 400n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM24632
PNG
(5-chloro-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimi...)
Show SMILES CC(C)Nc1cc(Cl)nc2c(cnn12)C#N
Show InChI InChI=1S/C10H10ClN5/c1-6(2)14-9-3-8(11)15-10-7(4-12)5-13-16(9)10/h3,5-6,14H,1-2H3
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n/an/a 1.50E+3n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11455
PNG
(5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)ph...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C23H25N7O2S/c24-16-6-8-17(9-7-16)27-21-14-22(30-23(29-21)25-15-26-30)28-18-10-12-20(13-11-18)33(31,32)19-4-2-1-3-5-19/h1-5,10-17,28H,6-9,24H2,(H,25,26,27,29)/t16-,17-
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n/an/a 260n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM11451
PNG
(4-{[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimid...)
Show SMILES CCN(CC)c1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1
Show InChI InChI=1S/C15H19N7O2S/c1-3-21(4-2)13-9-14(22-15(20-13)17-10-18-22)19-11-5-7-12(8-6-11)25(16,23)24/h5-10,19H,3-4H2,1-2H3,(H2,16,23,24)
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n/an/a 3.40E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM11454
PNG
(5-N-(4-aminocyclohexyl)-7-N-(4-methanesulfonylphen...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1
Show InChI InChI=1S/C18H23N7O2S/c1-28(26,27)15-8-6-14(7-9-15)23-17-10-16(24-18-20-11-21-25(17)18)22-13-4-2-12(19)3-5-13/h6-13,23H,2-5,19H2,1H3,(H,20,21,22,24)/t12-,13-
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n/an/a 1.60E+4n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM11455
PNG
(5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)ph...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C23H25N7O2S/c24-16-6-8-17(9-7-16)27-21-14-22(30-23(29-21)25-15-26-30)28-18-10-12-20(13-11-18)33(31,32)19-4-2-1-3-5-19/h1-5,10-17,28H,6-9,24H2,(H,25,26,27,29)/t16-,17-
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n/an/a 4.30E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11451
PNG
(4-{[5-(diethylamino)-[1,2,4]triazolo[1,5-a]pyrimid...)
Show SMILES CCN(CC)c1cc(Nc2ccc(cc2)S(N)(=O)=O)n2ncnc2n1
Show InChI InChI=1S/C15H19N7O2S/c1-3-21(4-2)13-9-14(22-15(20-13)17-10-18-22)19-11-5-7-12(8-6-11)25(16,23)24/h5-10,19H,3-4H2,1-2H3,(H2,16,23,24)
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n/an/a 1.10E+4n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11454
PNG
(5-N-(4-aminocyclohexyl)-7-N-(4-methanesulfonylphen...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1
Show InChI InChI=1S/C18H23N7O2S/c1-28(26,27)15-8-6-14(7-9-15)23-17-10-16(24-18-20-11-21-25(17)18)22-13-4-2-12(19)3-5-13/h6-13,23H,2-5,19H2,1H3,(H,20,21,22,24)/t12-,13-
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n/an/a 4.30E+4n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11455
PNG
(5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)ph...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C23H25N7O2S/c24-16-6-8-17(9-7-16)27-21-14-22(30-23(29-21)25-15-26-30)28-18-10-12-20(13-11-18)33(31,32)19-4-2-1-3-5-19/h1-5,10-17,28H,6-9,24H2,(H,25,26,27,29)/t16-,17-
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n/an/a 5.00E+4n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11428
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-(propan-2-yl)py...)
Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17-
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n/an/a 59n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11430
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-cyanopyrazolo[1...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C#N)cc1
Show InChI InChI=1S/C21H26N8O2S/c1-28(2)32(30,31)18-9-7-17(8-10-18)26-20-11-19(25-16-5-3-15(23)4-6-16)27-21-14(12-22)13-24-29(20)21/h7-11,13,15-16,26H,3-6,23H2,1-2H3,(H,25,27)/t15-,16-
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n/an/a 7n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11431
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-chloropyrazolo[...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Cl)cnn23)cc1
Show InChI InChI=1S/C20H26ClN7O2S/c1-27(2)31(29,30)16-9-7-15(8-10-16)25-19-11-18(24-14-5-3-13(22)4-6-14)26-20-17(21)12-23-28(19)20/h7-14,25H,3-6,22H2,1-2H3,(H,24,26)/t13-,14-
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n/an/a 8n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11432
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-bromopyrazolo[1...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1
Show InChI InChI=1S/C20H26BrN7O2S/c1-27(2)31(29,30)16-9-7-15(8-10-16)25-19-11-18(24-14-5-3-13(22)4-6-14)26-20-17(21)12-23-28(19)20/h7-14,25H,3-6,22H2,1-2H3,(H,24,26)/t13-,14-
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n/an/a 10n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11433
PNG
(4-[(5-{[4-(ethylamino)cyclohexyl]amino}-3-(propan-...)
Show SMILES CCN[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C25H37N7O2S/c1-6-26-18-7-9-19(10-8-18)28-23-15-24(32-25(30-23)22(16-27-32)17(2)3)29-20-11-13-21(14-12-20)35(33,34)31(4)5/h11-19,26,29H,6-10H2,1-5H3,(H,28,30)/t18-,19-
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n/an/a 61n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11436
PNG
(4-({5-[(3-aminocyclohexyl)amino]-3-(propan-2-yl)py...)
Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(NC3CCCC(N)C3)nc12
Show InChI InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-17-8-10-19(11-9-17)33(31,32)29(3)4)13-21(28-23(20)30)26-18-7-5-6-16(24)12-18/h8-11,13-16,18,27H,5-7,12,24H2,1-4H3,(H,26,28)
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n/an/a 2.10E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11438
PNG
(N-(4-methanesulfonylphenyl)-5-(2-methylpropoxy)-3-...)
Show SMILES CC(C)COc1cc(Nc2ccc(cc2)S(C)(=O)=O)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C20H26N4O3S/c1-13(2)12-27-19-10-18(24-20(23-19)17(11-21-24)14(3)4)22-15-6-8-16(9-7-15)28(5,25)26/h6-11,13-14,22H,12H2,1-5H3
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n/an/a 1.20E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11440
PNG
(5-N-(4-aminocyclohexyl)-3-chloro-7-N-[4-(thiophene...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1
Show InChI InChI=1S/C22H23ClN6O2S2/c23-18-13-25-29-20(12-19(28-22(18)29)26-15-5-3-14(24)4-6-15)27-16-7-9-17(10-8-16)33(30,31)21-2-1-11-32-21/h1-2,7-15,27H,3-6,24H2,(H,26,28)/t14-,15-
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n/an/a 11n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11441
PNG
(5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)ph...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C24H25BrN6O2S/c25-21-15-27-31-23(14-22(30-24(21)31)28-17-8-6-16(26)7-9-17)29-18-10-12-20(13-11-18)34(32,33)19-4-2-1-3-5-19/h1-5,10-17,29H,6-9,26H2,(H,28,30)/t16-,17-
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n/an/a 16n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11442
PNG
(5-chloro-N-(4-methanesulfonylphenyl)pyrazolo[1,5-a...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ccnn23)cc1
Show InChI InChI=1S/C13H11ClN4O2S/c1-21(19,20)10-4-2-9(3-5-10)16-13-8-11(14)17-12-6-7-15-18(12)13/h2-8,16H,1H3
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n/an/a 2.00E+3n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11443
PNG
(5-chloro-N-(4-methanesulfonylphenyl)-3-(propan-2-y...)
Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(C)(=O)=O)cc(Cl)nc12
Show InChI InChI=1S/C16H17ClN4O2S/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-11-4-6-12(7-5-11)24(3,22)23/h4-10,19H,1-3H3
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n/an/a 230n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...


Bioorg Med Chem Lett 15: 863-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.073
BindingDB Entry DOI: 10.7270/Q2ZK5DWP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11428
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-(propan-2-yl)py...)
Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-18-9-11-19(12-10-18)33(31,32)29(3)4)13-21(28-23(20)30)26-17-7-5-16(24)6-8-17/h9-17,27H,5-8,24H2,1-4H3,(H,26,28)/t16-,17-
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n/an/a 4.00E+4n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11430
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-cyanopyrazolo[1...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(cnn23)C#N)cc1
Show InChI InChI=1S/C21H26N8O2S/c1-28(2)32(30,31)18-9-7-17(8-10-18)26-20-11-19(25-16-5-3-15(23)4-6-16)27-21-14(12-22)13-24-29(20)21/h7-11,13,15-16,26H,3-6,23H2,1-2H3,(H,25,27)/t15-,16-
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n/an/a 460n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11431
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-chloropyrazolo[...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Cl)cnn23)cc1
Show InChI InChI=1S/C20H26ClN7O2S/c1-27(2)31(29,30)16-9-7-15(8-10-16)25-19-11-18(24-14-5-3-13(22)4-6-14)26-20-17(21)12-23-28(19)20/h7-14,25H,3-6,22H2,1-2H3,(H,24,26)/t13-,14-
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n/an/a 5.10E+3n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11432
PNG
(4-({5-[(4-aminocyclohexyl)amino]-3-bromopyrazolo[1...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3c(Br)cnn23)cc1
Show InChI InChI=1S/C20H26BrN7O2S/c1-27(2)31(29,30)16-9-7-15(8-10-16)25-19-11-18(24-14-5-3-13(22)4-6-14)26-20-17(21)12-23-28(19)20/h7-14,25H,3-6,22H2,1-2H3,(H,24,26)/t13-,14-
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n/an/a 3.40E+3n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11433
PNG
(4-[(5-{[4-(ethylamino)cyclohexyl]amino}-3-(propan-...)
Show SMILES CCN[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C25H37N7O2S/c1-6-26-18-7-9-19(10-8-18)28-23-15-24(32-25(30-23)22(16-27-32)17(2)3)29-20-11-13-21(14-12-20)35(33,34)31(4)5/h11-19,26,29H,6-10H2,1-5H3,(H,28,30)/t18-,19-
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n/an/a>5.00E+4n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11436
PNG
(4-({5-[(3-aminocyclohexyl)amino]-3-(propan-2-yl)py...)
Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(=O)(=O)N(C)C)cc(NC3CCCC(N)C3)nc12
Show InChI InChI=1S/C23H33N7O2S/c1-15(2)20-14-25-30-22(27-17-8-10-19(11-9-17)33(31,32)29(3)4)13-21(28-23(20)30)26-18-7-5-6-16(24)12-18/h8-11,13-16,18,27H,5-7,12,24H2,1-4H3,(H,26,28)
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n/an/a>5.00E+4n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11438
PNG
(N-(4-methanesulfonylphenyl)-5-(2-methylpropoxy)-3-...)
Show SMILES CC(C)COc1cc(Nc2ccc(cc2)S(C)(=O)=O)n2ncc(C(C)C)c2n1
Show InChI InChI=1S/C20H26N4O3S/c1-13(2)12-27-19-10-18(24-20(23-19)17(11-21-24)14(3)4)22-15-6-8-16(9-7-15)28(5,25)26/h6-11,13-14,22H,12H2,1-5H3
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n/an/a 1.20E+4n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11440
PNG
(5-N-(4-aminocyclohexyl)-3-chloro-7-N-[4-(thiophene...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2cccs2)n2ncc(Cl)c2n1
Show InChI InChI=1S/C22H23ClN6O2S2/c23-18-13-25-29-20(12-19(28-22(18)29)26-15-5-3-14(24)4-6-15)27-16-7-9-17(10-8-16)33(30,31)21-2-1-11-32-21/h1-2,7-15,27H,3-6,24H2,(H,26,28)/t14-,15-
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n/an/a 4.00E+3n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11441
PNG
(5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)ph...)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C24H25BrN6O2S/c25-21-15-27-31-23(14-22(30-24(21)31)28-17-8-6-16(26)7-9-17)29-18-10-12-20(13-11-18)34(32,33)19-4-2-1-3-5-19/h1-5,10-17,29H,6-9,26H2,(H,28,30)/t16-,17-
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n/an/a 5.30E+3n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11442
PNG
(5-chloro-N-(4-methanesulfonylphenyl)pyrazolo[1,5-a...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cc(Cl)nc3ccnn23)cc1
Show InChI InChI=1S/C13H11ClN4O2S/c1-21(19,20)10-4-2-9(3-5-10)16-13-8-11(14)17-12-6-7-15-18(12)13/h2-8,16H,1H3
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n/an/a 3.10E+3n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Glycogen Synthase Kinase-3, beta


(Rattus norvegicus (rat))
BDBM11443
PNG
(5-chloro-N-(4-methanesulfonylphenyl)-3-(propan-2-y...)
Show SMILES CC(C)c1cnn2c(Nc3ccc(cc3)S(C)(=O)=O)cc(Cl)nc12
Show InChI InChI=1S/C16H17ClN4O2S/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-11-4-6-12(7-5-11)24(3,22)23/h4-10,19H,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/a30



Martin-Luther-University Halle-Wittenberg



Assay Description
In vitro kinase assay using purified GSK-3 beta was incubated at room temperature with substrate, and test compounds in the presence of 10 uM ATP/ [g...


Bioorg Med Chem Lett 15: 823-5 (2005)


Article DOI: 10.1016/j.bmcl.2004.10.091
BindingDB Entry DOI: 10.7270/Q2QZ2853
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM11454
PNG
(5-N-(4-aminocyclohexyl)-7-N-(4-methanesulfonylphen...)
Show SMILES CS(=O)(=O)c1ccc(Nc2cc(N[C@H]3CC[C@H](N)CC3)nc3ncnn23)cc1
Show InChI InChI=1S/C18H23N7O2S/c1-28(26,27)15-8-6-14(7-9-15)23-17-10-16(24-18-20-11-21-25(17)18)22-13-4-2-12(19)3-5-13/h6-13,23H,2-5,19H2,1H3,(H,20,21,22,24)/t12-,13-
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n/an/a 250n/an/an/an/a7.522



Vernalis (R&D) Ltd



Assay Description
In vitro kinase assay using purified CDK enzyme was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [...


Bioorg Med Chem Lett 16: 1353-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.048
BindingDB Entry DOI: 10.7270/Q2TT4P5C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)