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PubMed code 24681066

Compile data set for download or QSAR
Found 35 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))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)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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0.600n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged recombinant Aurora 1 (62 to 344) (unknown origin) expressed in baculovirus expression system by radiometric ass...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)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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4.60n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged recombinant Aurora 3 (1 to 309) (unknown origin) expressed in baculovirus expression system by radiometric assa...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50004205
PNG
(MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)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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18n/an/an/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-6-tagged recombinant Aurora 2 (1 to 403) (unknown origin) expressed in baculovirus expression system by radiometric assa...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant mouse Aurora A expressed in Sf9 cells using biotin-GLRRASLG as peptide substrate by [gamma-33S]ATP binding assay


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50004231
PNG
(CHEMBL3237167)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C19H25N9O2S/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-14-3-5-15(6-4-14)31(20,29)30/h3-6,11-12H,7-10H2,1-2H3,(H2,20,29,30)(H3,21,22,23,24,25,26)
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n/an/a 5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004234
PNG
(CHEMBL3237169)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1Cl
Show InChI InChI=1S/C21H25ClN8O2/c1-13-10-18(28-27-13)24-17-12-19(30-8-6-29(2)7-9-30)26-21(25-17)23-14-4-5-15(16(22)11-14)20(31)32-3/h4-5,10-12H,6-9H2,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 7.70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004230
PNG
(CHEMBL3237166)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C#N)n1
Show InChI InChI=1S/C20H23N9/c1-14-11-18(27-26-14)23-17-12-19(29-9-7-28(2)8-10-29)25-20(24-17)22-16-5-3-15(13-21)4-6-16/h3-6,11-12H,7-10H2,1-2H3,(H3,22,23,24,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004222
PNG
(CHEMBL3237187)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H23ClN8/c1-13-10-17(26-25-13)22-16-12-18(28-8-6-27(2)7-9-28)24-19(23-16)21-15-5-3-4-14(20)11-15/h3-5,10-12H,6-9H2,1-2H3,(H3,21,22,23,24,25,26)
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n/an/a 10n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004232
PNG
(CHEMBL3237168)
Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(cc3)[N+]([O-])=O)n2)N2CCOCC2)n[nH]1
Show InChI InChI=1S/C18H20N8O3/c1-12-10-16(24-23-12)20-15-11-17(25-6-8-29-9-7-25)22-18(21-15)19-13-2-4-14(5-3-13)26(27)28/h2-5,10-11H,6-9H2,1H3,(H3,19,20,21,22,23,24)
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n/an/a 11n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004228
PNG
(CHEMBL3237164)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C19H23N9O2/c1-13-11-17(25-24-13)21-16-12-18(27-9-7-26(2)8-10-27)23-19(22-16)20-14-3-5-15(6-4-14)28(29)30/h3-6,11-12H,7-10H2,1-2H3,(H3,20,21,22,23,24,25)
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n/an/a 12n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004223
PNG
(CHEMBL3237188)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C19H23ClN8/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-15-5-3-14(20)4-6-15/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004206
PNG
(CHEMBL3237191)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C21H25N7.C4H6O6/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17;5-1(3(7)8)2(6)4(9)10/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/b9-8+;
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n/an/a 14n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora A using peptide substrate PanVera Z'-Lyte kinase assay


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004229
PNG
(CHEMBL3237165)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C19H23N9O2/c1-13-10-17(25-24-13)21-16-12-18(27-8-6-26(2)7-9-27)23-19(22-16)20-14-4-3-5-15(11-14)28(29)30/h3-5,10-12H,6-9H2,1-2H3,(H3,20,21,22,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004219
PNG
(CHEMBL3237184)
Show SMILES COc1cccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)c1
Show InChI InChI=1S/C20H26N8O/c1-14-11-18(26-25-14)22-17-13-19(28-9-7-27(2)8-10-28)24-20(23-17)21-15-5-4-6-16(12-15)29-3/h4-6,11-13H,7-10H2,1-3H3,(H3,21,22,23,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004216
PNG
(CHEMBL3237181)
Show SMILES CC(C)OC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C23H30N8O2/c1-15(2)33-22(32)17-5-7-18(8-6-17)24-23-26-19(25-20-13-16(3)28-29-20)14-21(27-23)31-11-9-30(4)10-12-31/h5-8,13-15H,9-12H2,1-4H3,(H3,24,25,26,27,28,29)
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n/an/a 22n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004209
PNG
(CHEMBL3237174)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23N7O3/c1-13-11-17(26-25-13)22-16-12-18(27-7-9-30-10-8-27)24-20(23-16)21-15-5-3-14(4-6-15)19(28)29-2/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26)
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n/an/a 25n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004215
PNG
(CHEMBL3237180)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)C(O)=O)n1
Show InChI InChI=1S/C20H24N8O2/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-20(23-16)21-15-5-3-14(4-6-15)19(29)30/h3-6,11-12H,7-10H2,1-2H3,(H,29,30)(H3,21,22,23,24,25,26)
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n/an/a 32n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004220
PNG
(CHEMBL3237185)
Show SMILES COc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C20H26N8O/c1-14-12-18(26-25-14)22-17-13-19(28-10-8-27(2)9-11-28)24-20(23-17)21-15-4-6-16(29-3)7-5-15/h4-7,12-13H,8-11H2,1-3H3,(H3,21,22,23,24,25,26)
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n/an/a 34n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004211
PNG
(CHEMBL3237176)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H26N8O4S/c1-14-12-18(27-26-14)23-17-13-19(28-8-10-29(11-9-28)34(3,31)32)25-21(24-17)22-16-6-4-15(5-7-16)20(30)33-2/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23,24,25,26,27)
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n/an/a 34n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004207
PNG
(CHEMBL3237172)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C21H26N8O2/c1-14-12-18(27-26-14)23-17-13-19(29-10-8-28(2)9-11-29)25-21(24-17)22-16-6-4-15(5-7-16)20(30)31-3/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23,24,25,26,27)
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n/an/a 46n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004214
PNG
(CHEMBL3237179)
Show SMILES COC(=O)c1ccc(Nc2nc(NCCN3CCOCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C22H28N8O3/c1-15-13-20(29-28-15)25-19-14-18(23-7-8-30-9-11-33-12-10-30)26-22(27-19)24-17-5-3-16(4-6-17)21(31)32-2/h3-6,13-14H,7-12H2,1-2H3,(H4,23,24,25,26,27,28,29)
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n/an/a 72n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004237
PNG
(CHEMBL3237171)
Show SMILES COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C21H25N7O3/c1-14-11-18(27-26-14)23-17-12-19(28-7-9-31-10-8-28)25-21(24-17)22-13-15-3-5-16(6-4-15)20(29)30-2/h3-6,11-12H,7-10,13H2,1-2H3,(H3,22,23,24,25,26,27)
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n/an/a 97n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004217
PNG
(CHEMBL3237182)
Show SMILES CNC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C21H27N9O/c1-14-12-18(28-27-14)24-17-13-19(30-10-8-29(3)9-11-30)26-21(25-17)23-16-6-4-15(5-7-16)20(31)22-2/h4-7,12-13H,8-11H2,1-3H3,(H,22,31)(H3,23,24,25,26,27,28)
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n/an/a 101n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004225
PNG
(CHEMBL3237190)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H31N9O/c1-17-15-21(29-28-17)25-20-16-22(32-9-7-30(2)8-10-32)27-23(26-20)24-18-3-5-19(6-4-18)31-11-13-33-14-12-31/h3-6,15-16H,7-14H2,1-2H3,(H3,24,25,26,27,28,29)
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n/an/a 112n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004210
PNG
(CHEMBL3237175)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2C[C@H](C)O[C@H](C)C2)cc1 |r|
Show InChI InChI=1S/C22H27N7O3/c1-13-9-19(28-27-13)24-18-10-20(29-11-14(2)32-15(3)12-29)26-22(25-18)23-17-7-5-16(6-8-17)21(30)31-4/h5-10,14-15H,11-12H2,1-4H3,(H3,23,24,25,26,27,28)/t14-,15+
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n/an/a 113n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004224
PNG
(CHEMBL3237189)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(NC(C)=O)cc2)n1
Show InChI InChI=1S/C21H27N9O/c1-14-12-19(28-27-14)24-18-13-20(30-10-8-29(3)9-11-30)26-21(25-18)23-17-6-4-16(5-7-17)22-15(2)31/h4-7,12-13H,8-11H2,1-3H3,(H,22,31)(H3,23,24,25,26,27,28)
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n/an/a 118n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004236
PNG
(CHEMBL3237170)
Show SMILES COC(=O)c1ccc(CNc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C22H28N8O2/c1-15-12-19(28-27-15)24-18-13-20(30-10-8-29(2)9-11-30)26-22(25-18)23-14-16-4-6-17(7-5-16)21(31)32-3/h4-7,12-13H,8-11,14H2,1-3H3,(H3,23,24,25,26,27,28)
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n/an/a 127n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004208
PNG
(CHEMBL3237173)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCNCC2)cc1
Show InChI InChI=1S/C20H24N8O2/c1-13-11-17(27-26-13)23-16-12-18(28-9-7-21-8-10-28)25-20(24-16)22-15-5-3-14(4-6-15)19(29)30-2/h3-6,11-12,21H,7-10H2,1-2H3,(H3,22,23,24,25,26,27)
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n/an/a 135n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004221
PNG
(CHEMBL3237186)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccccc2Cl)n1
Show InChI InChI=1S/C19H23ClN8/c1-13-11-17(26-25-13)22-16-12-18(28-9-7-27(2)8-10-28)24-19(23-16)21-15-6-4-3-5-14(15)20/h3-6,11-12H,7-10H2,1-2H3,(H3,21,22,23,24,25,26)
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n/an/a 147n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 12


(Mus musculus)
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 172n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant mouse Aurora B expressed in Sf9 cells using Biotin-TKQTARKSTGGKAPR as peptide substrate by [gamma-33S]ATP bindin...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004218
PNG
(CHEMBL3237183)
Show SMILES COc1ccccc1Nc1nc(Nc2cc(C)[nH]n2)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C20H26N8O/c1-14-12-18(26-25-14)22-17-13-19(28-10-8-27(2)9-11-28)24-20(23-17)21-15-6-4-5-7-16(15)29-3/h4-7,12-13H,8-11H2,1-3H3,(H3,21,22,23,24,25,26)
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n/an/a 200n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004213
PNG
(CHEMBL3237178)
Show SMILES COC(=O)c1ccc(Nc2nc(NCCN3CCCCC3)cc(Nc3cc(C)[nH]n3)n2)cc1
Show InChI InChI=1S/C23H30N8O2/c1-16-14-21(30-29-16)26-20-15-19(24-10-13-31-11-4-3-5-12-31)27-23(28-20)25-18-8-6-17(7-9-18)22(32)33-2/h6-9,14-15H,3-5,10-13H2,1-2H3,(H4,24,25,26,27,28,29,30)
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n/an/a 228n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50004206
PNG
(CHEMBL3237191)
Show SMILES OC(C(O)C(O)=O)C(O)=O.CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C21H25N7.C4H6O6/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17;5-1(3(7)8)2(6)4(9)10/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/b9-8+;
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n/an/a 290n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aurora B using peptide substrate PanVera Z'-Lyte kinase assay


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004226
PNG
(CHEMBL3237163)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(cc2)N2CC(=O)N(CC2=O)C2CC2)n1
Show InChI InChI=1S/C26H32N10O2/c1-17-13-22(32-31-17)28-21-14-23(34-11-9-33(2)10-12-34)30-26(29-21)27-18-3-5-19(6-4-18)35-15-25(38)36(16-24(35)37)20-7-8-20/h3-6,13-14,20H,7-12,15-16H2,1-2H3,(H3,27,28,29,30,31,32)
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n/an/a 549n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50004212
PNG
(CHEMBL3237177)
Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H30N8O4S/c1-18-4-10-22(11-5-18)40(37,38)35-14-12-34(13-15-35)25-17-23(29-24-16-19(2)32-33-24)30-27(31-25)28-21-8-6-20(7-9-21)26(36)39-3/h4-11,16-17H,12-15H2,1-3H3,(H3,28,29,30,31,32,33)
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n/an/a 573n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...


Eur J Med Chem 78: 65-71 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.027
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%