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PubMed code 19143567

Compile data set for download or QSAR
Found 49 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))		BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 1.40n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))		BDBM27083
PNG
(1-(2,6-difluorophenyl)-3-{3-[5-(morpholin-4-ylmeth...)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21F2N7O2/c23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31/h1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32)
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n/an/a 1.5n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))		BDBM27083
PNG
(1-(2,6-difluorophenyl)-3-{3-[5-(morpholin-4-ylmeth...)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21F2N7O2/c23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31/h1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32)
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n/an/a 2.60n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM27082
PNG
(1-(2-fluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-...)
Show SMILES Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H22FN7O2/c23-15-3-1-2-4-16(15)27-22(31)28-19-12-24-29-20(19)21-25-17-6-5-14(11-18(17)26-21)13-30-7-9-32-10-8-30/h1-6,11-12H,7-10,13H2,(H,24,29)(H,25,26)(H2,27,28,31)
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n/an/a 2.80n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))		BDBM27079
PNG
(N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c29-22(16-4-2-1-3-5-16)26-19-13-23-27-20(19)21-24-17-7-6-15(12-18(17)25-21)14-28-8-10-30-11-9-28/h1-7,12-13H,8-11,14H2,(H,23,27)(H,24,25)(H,26,29)
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n/an/a 3.5n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))		BDBM27084
PNG
(1-cyclohexyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3...)
Show SMILES O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H29N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h6-7,12-13,16H,1-5,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 5.20n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM27084
PNG
(1-cyclohexyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3...)
Show SMILES O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H29N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h6-7,12-13,16H,1-5,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 5.70n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aurora kinase A


(Homo sapiens (Human))		BDBM27078
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ben...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
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n/an/a 5.90n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))		BDBM27086
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(NC1CCOCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C21H27N7O3/c29-21(23-15-3-7-30-8-4-15)26-18-12-22-27-19(18)20-24-16-2-1-14(11-17(16)25-20)13-28-5-9-31-10-6-28/h1-2,11-12,15H,3-10,13H2,(H,22,27)(H,24,25)(H2,23,26,29)
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n/an/a 10n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM27080
PNG
(4-fluoro-N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-ben...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)
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n/an/a 10n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))		BDBM27082
PNG
(1-(2-fluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-...)
Show SMILES Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H22FN7O2/c23-15-3-1-2-4-16(15)27-22(31)28-19-12-24-29-20(19)21-25-17-6-5-14(11-18(17)26-21)13-30-7-9-32-10-8-30/h1-6,11-12H,7-10,13H2,(H,24,29)(H,25,26)(H2,27,28,31)
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n/an/a 10n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM27081
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
Show InChI InChI=1S/C22H23N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h1-7,12-13H,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 12n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))		BDBM27085
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
Show InChI InChI=1S/C21H22N8O2/c30-21(24-15-2-1-5-22-11-15)27-18-12-23-28-19(18)20-25-16-4-3-14(10-17(16)26-20)13-29-6-8-31-9-7-29/h1-5,10-12H,6-9,13H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 13n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))		BDBM27079
PNG
(N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c29-22(16-4-2-1-3-5-16)26-19-13-23-27-20(19)21-24-17-7-6-15(12-18(17)25-21)14-28-8-10-30-11-9-28/h1-7,12-13H,8-11,14H2,(H,23,27)(H,24,25)(H,26,29)
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n/an/a 15n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/a 17n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))		BDBM27085
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
Show InChI InChI=1S/C21H22N8O2/c30-21(24-15-2-1-5-22-11-15)27-18-12-23-28-19(18)20-25-16-4-3-14(10-17(16)26-20)13-29-6-8-31-9-7-29/h1-5,10-12H,6-9,13H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 24n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM27086
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(NC1CCOCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C21H27N7O3/c29-21(23-15-3-7-30-8-4-15)26-18-12-22-27-19(18)20-24-16-2-1-14(11-17(16)25-20)13-28-5-9-31-10-6-28/h1-2,11-12,15H,3-10,13H2,(H,22,27)(H,24,25)(H2,23,26,29)
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n/an/a 26n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27078
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ben...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
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n/an/a 52n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aurora kinase B


(Homo sapiens (Human))		BDBM27081
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
Show InChI InChI=1S/C22H23N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h1-7,12-13H,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 54n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM27077
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ace...)
Show SMILES CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H11N5O/c1-7(18)14-10-6-13-17-11(10)12-15-8-4-2-3-5-9(8)16-12/h2-6H,1H3,(H,13,17)(H,14,18)(H,15,16)
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n/an/a 70n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Aurora kinase B


(Homo sapiens (Human))		BDBM27080
PNG
(4-fluoro-N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-ben...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)
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n/an/a 75n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27079
PNG
(N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c29-22(16-4-2-1-3-5-16)26-19-13-23-27-20(19)21-24-17-7-6-15(12-18(17)25-21)14-28-8-10-30-11-9-28/h1-7,12-13H,8-11,14H2,(H,23,27)(H,24,25)(H,26,29)
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n/an/a 140n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27083
PNG
(1-(2,6-difluorophenyl)-3-{3-[5-(morpholin-4-ylmeth...)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21F2N7O2/c23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31/h1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32)
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n/an/a 160n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27085
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
Show InChI InChI=1S/C21H22N8O2/c30-21(24-15-2-1-5-22-11-15)27-18-12-23-28-19(18)20-25-16-4-3-14(10-17(16)26-20)13-29-6-8-31-9-7-29/h1-5,10-12H,6-9,13H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 160n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM27078
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ben...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
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n/an/a 180n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27082
PNG
(1-(2-fluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-...)
Show SMILES Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H22FN7O2/c23-15-3-1-2-4-16(15)27-22(31)28-19-12-24-29-20(19)21-25-17-6-5-14(11-18(17)26-21)13-30-7-9-32-10-8-30/h1-6,11-12H,7-10,13H2,(H,24,29)(H,25,26)(H2,27,28,31)
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n/an/a 230n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27078
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ben...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C17H13N5O/c23-17(11-6-2-1-3-7-11)21-14-10-18-22-15(14)16-19-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,22)(H,19,20)(H,21,23)
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n/an/a 230n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27083
PNG
(1-(2,6-difluorophenyl)-3-{3-[5-(morpholin-4-ylmeth...)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21F2N7O2/c23-14-2-1-3-15(24)19(14)29-22(32)28-18-11-25-30-20(18)21-26-16-5-4-13(10-17(16)27-21)12-31-6-8-33-9-7-31/h1-5,10-11H,6-9,12H2,(H,25,30)(H,26,27)(H2,28,29,32)
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n/an/a 290n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27085
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1cccnc1
Show InChI InChI=1S/C21H22N8O2/c30-21(24-15-2-1-5-22-11-15)27-18-12-23-28-19(18)20-25-16-4-3-14(10-17(16)26-20)13-29-6-8-31-9-7-29/h1-5,10-12H,6-9,13H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 290n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27079
PNG
(N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1
Show InChI InChI=1S/C22H22N6O2/c29-22(16-4-2-1-3-5-16)26-19-13-23-27-20(19)21-24-17-7-6-15(12-18(17)25-21)14-28-8-10-30-11-9-28/h1-7,12-13H,8-11,14H2,(H,23,27)(H,24,25)(H,26,29)
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n/an/a 340n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27087
PNG
(3-cyclopropyl-1-{3-[5-(morpholin-4-ylmethyl)-1H-1,...)
Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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n/an/a 510n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM27077
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ace...)
Show SMILES CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H11N5O/c1-7(18)14-10-6-13-17-11(10)12-15-8-4-2-3-5-9(8)16-12/h2-6H,1H3,(H,13,17)(H,14,18)(H,15,16)
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n/an/a 510n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27080
PNG
(4-fluoro-N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-ben...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)
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n/an/a 530n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
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n/an/a 910n/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27077
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ace...)
Show SMILES CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H11N5O/c1-7(18)14-10-6-13-17-11(10)12-15-8-4-2-3-5-9(8)16-12/h2-6H,1H3,(H,13,17)(H,14,18)(H,15,16)
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n/an/a 990n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27082
PNG
(1-(2-fluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-...)
Show SMILES Fc1ccccc1NC(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H22FN7O2/c23-15-3-1-2-4-16(15)27-22(31)28-19-12-24-29-20(19)21-25-17-6-5-14(11-18(17)26-21)13-30-7-9-32-10-8-30/h1-6,11-12H,7-10,13H2,(H,24,29)(H,25,26)(H2,27,28,31)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27084
PNG
(1-cyclohexyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3...)
Show SMILES O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H29N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h6-7,12-13,16H,1-5,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27080
PNG
(4-fluoro-N-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-ben...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12H,7-10,13H2,(H,24,28)(H,25,26)(H,27,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27087
PNG
(3-cyclopropyl-1-{3-[5-(morpholin-4-ylmethyl)-1H-1,...)
Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM27081
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
Show InChI InChI=1S/C22H23N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h1-7,12-13H,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27084
PNG
(1-cyclohexyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3...)
Show SMILES O=C(NC1CCCCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C22H29N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h6-7,12-13,16H,1-5,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27077
PNG
(N-[3-(1H-1,3-benzodiazol-2-yl)-1H-pyrazol-4-yl]ace...)
Show SMILES CC(=O)Nc1c[nH]nc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C12H11N5O/c1-7(18)14-10-6-13-17-11(10)12-15-8-4-2-3-5-9(8)16-12/h2-6H,1H3,(H,13,17)(H,14,18)(H,15,16)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27081
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)Nc1ccccc1
Show InChI InChI=1S/C22H23N7O2/c30-22(24-16-4-2-1-3-5-16)27-19-13-23-28-20(19)21-25-17-7-6-15(12-18(17)26-21)14-29-8-10-31-11-9-29/h1-7,12-13H,8-11,14H2,(H,23,28)(H,25,26)(H2,24,27,30)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
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n/an/a 6.50E+3n/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM27086
PNG
(3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-...)
Show SMILES O=C(NC1CCOCC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C21H27N7O3/c29-21(23-15-3-7-30-8-4-15)26-18-12-22-27-19(18)20-24-16-2-1-14(11-17(16)25-20)13-28-5-9-31-10-6-28/h1-2,11-12,15H,3-10,13H2,(H,22,27)(H,24,25)(H2,23,26,29)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Astex



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

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))		BDBM27087
PNG
(3-cyclopropyl-1-{3-[5-(morpholin-4-ylmethyl)-1H-1,...)
Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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n/an/an/an/an/an/an/a7.022



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1


(Homo sapiens (Human))		BDBM24637
PNG
(2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole | JMC52379...)
Show SMILES c1cc(n[nH]1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13)
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n/an/an/an/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclinB activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1. ...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))		BDBM27087
PNG
(3-cyclopropyl-1-{3-[5-(morpholin-4-ylmethyl)-1H-1,...)
Show SMILES O=C(NC1CC1)Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1
Show InChI InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
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n/an/an/an/an/an/an/a8.522



Astex



Assay Description
Assays for Aurora kinase was performed in a DELFIA format. Aurora enzyme was incubated with test compound and cross-tide substrate in the reaction bu...

J Med Chem 52: 379-88 (2009)


Article DOI: 10.1021/jm800984v
BindingDB Entry DOI: 10.7270/Q2P55KT7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%