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15 molecules are shown

Wt: 464.4
BDBM26315
Wt: 396.4
BDBM26320
Wt: 410.5
BDBM26321
Wt: 410.5
BDBM26322
Wt: 426.5
BDBM26323
Wt: 420.5
BDBM26324
Wt: 414.4
BDBM26325
Wt: 430.9
BDBM26326
Purchase
Wt: 430.9
BDBM26327
Wt: 430.9
BDBM26328
Wt: 465.3
BDBM26329
Wt: 448.9
BDBM26330
Wt: 435.5
BDBM26331
Wt: 402.5
BDBM26332
Wt: 479.6
BDBM26334

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 26315,26320,26321,26322,26323,26324,26325,26326,26327,26328,26329,26330,26331,26332,26334   
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 (Aurora-A)


(Mus musculus (mouse))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 22n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (human))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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n/an/a 52n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26321
PNG
(1-methyl-1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-...)
Show SMILES CN(C(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1)c1ccccc1
Show InChI InChI=1S/C19H18N6OS2/c1-25(13-5-3-2-4-6-13)19(26)24-18-21-11-14(28-18)7-9-20-17-16-15(8-10-27-16)22-12-23-17/h2-6,8,10-12H,7,9H2,1H3,(H,20,22,23)(H,21,24,26)
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n/an/a 7.20E+3n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26322
PNG
(1-(3-methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H18N6OS2/c1-12-3-2-4-13(9-12)24-18(26)25-19-21-10-14(28-19)5-7-20-17-16-15(6-8-27-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 9n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26323
PNG
(1-(3-methoxyphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidi...)
Show SMILES COc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H18N6O2S2/c1-27-13-4-2-3-12(9-13)24-18(26)25-19-21-10-14(29-19)5-7-20-17-16-15(6-8-28-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 50n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26324
PNG
(1-(3-ethynylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidi...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(c1)C#C
Show InChI InChI=1S/C20H16N6OS2/c1-2-13-4-3-5-14(10-13)25-19(27)26-20-22-11-15(29-20)6-8-21-18-17-16(7-9-28-17)23-12-24-18/h1,3-5,7,9-12H,6,8H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 41n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26325
PNG
(1-(3-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Fc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15FN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 23n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26326
PNG
(1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 9n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26327
PNG
(1-(4-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-1-3-12(4-2-11)24-17(26)25-18-21-9-13(28-18)5-7-20-16-15-14(6-8-27-15)22-10-23-16/h1-4,6,8-10H,5,7H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 39n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26328
PNG
(1-(2-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1ccccc1NC(=O)Nc1ncc(CCNc2ncnc3ccsc23)s1
Show InChI InChI=1S/C18H15ClN6OS2/c19-12-3-1-2-4-13(12)24-17(26)25-18-21-9-11(28-18)5-7-20-16-15-14(6-8-27-15)22-10-23-16/h1-4,6,8-10H,5,7H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 280n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26329
PNG
(1-(3,4-dichlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrim...)
Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14Cl2N6OS2/c19-12-2-1-10(7-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 96n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26330
PNG
(1-(3-chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]...)
Show SMILES Fc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14ClFN6OS2/c19-12-7-10(1-2-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 11n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26331
PNG
(1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12
Show InChI InChI=1S/C20H17N7OS2/c28-19(26-14-3-1-2-12-4-7-21-16(12)14)27-20-23-10-13(30-20)5-8-22-18-17-15(6-9-29-17)24-11-25-18/h1-4,6-7,9-11,21H,5,8H2,(H,22,24,25)(H2,23,26,27,28)
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n/an/a 30n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26332
PNG
(1-cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-yla...)
Show SMILES O=C(NC1CCCCC1)Nc1ncc(CCNc2ncnc3ccsc23)s1
Show InChI InChI=1S/C18H22N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h7,9-12H,1-6,8H2,(H,19,21,22)(H2,20,23,24,25)
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n/an/a 270n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26334
PNG
(1-{3-[2-(azetidin-1-yl)ethyl]phenyl}-3-[5-(2-{thie...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(CCN2CCC2)c1
Show InChI InChI=1S/C23H25N7OS2/c31-22(28-17-4-1-3-16(13-17)6-11-30-9-2-10-30)29-23-25-14-18(33-23)5-8-24-21-20-19(7-12-32-20)26-15-27-21/h1,3-4,7,12-15H,2,5-6,8-11H2,(H,24,26,27)(H2,25,28,29,31)
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n/an/a 53n/an/an/an/a7.221



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26322
PNG
(1-(3-methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Cc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H18N6OS2/c1-12-3-2-4-13(9-12)24-18(26)25-19-21-10-14(28-19)5-7-20-17-16-15(6-8-27-16)22-11-23-17/h2-4,6,8-11H,5,7H2,1H3,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 54n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26325
PNG
(1-(3-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Fc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15FN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 18n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26326
PNG
(1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 31n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26329
PNG
(1-(3,4-dichlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrim...)
Show SMILES Clc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14Cl2N6OS2/c19-12-2-1-10(7-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 13n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26330
PNG
(1-(3-chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]...)
Show SMILES Fc1ccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)cc1Cl
Show InChI InChI=1S/C18H14ClFN6OS2/c19-12-7-10(1-2-13(12)20)25-17(27)26-18-22-8-11(29-18)3-5-21-16-15-14(4-6-28-15)23-9-24-16/h1-2,4,6-9H,3,5H2,(H,21,23,24)(H2,22,25,26,27)
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n/an/a 51n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26331
PNG
(1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc2cc[nH]c12
Show InChI InChI=1S/C20H17N7OS2/c28-19(26-14-3-1-2-12-4-7-21-16(12)14)27-20-23-10-13(30-20)5-8-22-18-17-15(6-9-29-17)24-11-25-18/h1-4,6-7,9-11,21H,5,8H2,(H,22,24,25)(H2,23,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26332
PNG
(1-cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-yla...)
Show SMILES O=C(NC1CCCCC1)Nc1ncc(CCNc2ncnc3ccsc23)s1
Show InChI InChI=1S/C18H22N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h7,9-12H,1-6,8H2,(H,19,21,22)(H2,20,23,24,25)
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n/an/a 61n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26334
PNG
(1-{3-[2-(azetidin-1-yl)ethyl]phenyl}-3-[5-(2-{thie...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1cccc(CCN2CCC2)c1
Show InChI InChI=1S/C23H25N7OS2/c31-22(28-17-4-1-3-16(13-17)6-11-30-9-2-10-30)29-23-25-14-18(33-23)5-8-24-21-20-19(7-12-32-20)26-15-27-21/h1,3-4,7,12-15H,2,5-6,8-11H2,(H,24,26,27)(H2,25,28,29,31)
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n/an/a 120n/an/an/an/an/an/a



Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B after 60 mins


Bioorg Med Chem Lett 19: 5158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.016
BindingDB Entry DOI: 10.7270/Q2T72HK2
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B after 60 mins


Bioorg Med Chem Lett 19: 5158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.016
BindingDB Entry DOI: 10.7270/Q2T72HK2
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26326
PNG
(1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 31n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora B after 60 mins


Bioorg Med Chem Lett 19: 5158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.016
BindingDB Entry DOI: 10.7270/Q2T72HK2
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM26326
PNG
(1-(3-chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin...)
Show SMILES Clc1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
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n/an/a 9n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A after 60 mins


Bioorg Med Chem Lett 19: 5158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.016
BindingDB Entry DOI: 10.7270/Q2T72HK2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (human))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 22n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A after 60 mins


Bioorg Med Chem Lett 19: 5158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.016
BindingDB Entry DOI: 10.7270/Q2T72HK2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (human))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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n/an/a 52n/an/an/an/an/an/a



Sunesis Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A after 60 mins


Bioorg Med Chem Lett 19: 5158-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.016
BindingDB Entry DOI: 10.7270/Q2T72HK2
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 14n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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n/an/a 120n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora B kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM26315
PNG
(3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ncc(CCNc3ncnc4ccsc34)s2)c1
Show InChI InChI=1S/C19H15F3N6OS2/c20-19(21,22)11-2-1-3-12(8-11)27-17(29)28-18-24-9-13(31-18)4-6-23-16-15-14(5-7-30-15)25-10-26-16/h1-3,5,7-10H,4,6H2,(H,23,25,26)(H2,24,27,28,29)
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n/an/a 22n/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of aurora A kinase


J Med Chem 52: 2629-51 (2009)

Checked by Author
Article DOI: 10.1021/jm8012129
BindingDB Entry DOI: 10.7270/Q2B85920
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora Kinase A (Aurora-A)


(Mus musculus (mouse))
BDBM26320
PNG
(1-phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino...)
Show SMILES O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)Nc1ccccc1
Show InChI InChI=1S/C18H16N6OS2/c25-17(23-12-4-2-1-3-5-12)24-18-20-10-13(27-18)6-8-19-16-15-14(7-9-26-15)21-11-22-16/h1-5,7,9-11H,6,8H2,(H,19,21,22)(H2,20,23,24,25)
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Sunesis Pharmaceuticals



Assay Description
Compounds were diluted into assay buffer containing Aurora kinase and FAM-PKAtide. The kinase reaction was initiated by adding ATP in assay buffer. T...


Bioorg Med Chem Lett 18: 4880-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.073
BindingDB Entry DOI: 10.7270/Q279430N
More data for this
Ligand-Target Pair