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3 similar compounds to monomer 27082

Compile data set for download or QSAR
Wt: 417.4
BDBM27081
Wt: 453.4
BDBM27083
Wt: 418.4
BDBM27085

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 27081,27083,27085   
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
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 (docked)
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 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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PubMed
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))
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 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
Cyclin-Dependent Kinase 2 (CDK2)


(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
Cyclin-Dependent Kinase 1 (CDK1)


(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
Cyclin-Dependent Kinase 1 (CDK1)


(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 1 (CDK1)


(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 2 (CDK2)


(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 2 (CDK2)


(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
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