Compile Data Set for Download or QSAR
Found 4369 Enz. Inhib. hit(s) with Target = 'Aurora kinase A'
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.000600nMAssay Description:In vitro inhibition constant for Aurora-AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM109209(VX-689)
Show SMILES OC(=O)[C@]1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15?,22-
Affinity DataKi:  0.0155nM ΔG°:  -62.7kJ/mole IC50: 3.88nMT: 2°CAssay Description:Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50277545(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
Affinity DataKi:  0.136nM ΔG°:  -57.3kJ/mole IC50: 34.2nMT: 2°CAssay Description:Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR...More data for this Ligand-Target Pair
TargetAurora kinase A(Mus musculus (mouse))
Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50277545(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
Affinity DataKi:  0.300nMAssay Description:Competitive inhibition of recombinant mouse aurora kinase A expressed in insect Sf9 cells in presence of ATPMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50004205(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)
Affinity DataKi:  0.370nMAssay Description:Inhibition of Aurora A (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50319623(4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...)
Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
Affinity DataKi:  0.400nMAssay Description:Inhibition of human recombinant Aurora A after 30 minsMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Show SMILES C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m0/s1
Affinity DataKi:  0.590nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora A kinaseChecked by AuthorMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A-interacting protein(Homo sapiens (Human))
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora A kinaseMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nM ΔG°:  -52.1kJ/molepH: 7.5 T: 2°CAssay Description:The kinase activity was determined by incubation of enzyme and its substrate, and test compound, in the presence ATP/[gamma-32P] ATP. After incubatio...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of AURAMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50004205(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of N-terminal His-6-tagged recombinant Aurora 1 (62 to 344) (unknown origin) expressed in baculovirus expression system by radiometric ass...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50004205(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)
Affinity DataKi:  0.600nMAssay Description:Inhibition of recombinant N-terminal His6-tagged Aurora A (62 to 344 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50004205(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)
Affinity DataKi:  0.700nMAssay Description:Inhibition of recombinant N-terminal His6-tagged Aurora A (1 to 403 residues) (unknown origin) expressed in baculovirus expression systemMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50206864(CHEMBL3903916)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1
Show InChI InChI=1S/C19H19FN6O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(14(12)11-21)22-7-8-27-16-6-4-3-5-15(16)20/h3-6,9-10H,7-8H2,1-2H3,(H3,22,23,24,25,26)
Affinity DataKi: <1nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293690(CHEMBL564941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
Show InChI InChI=1S/C21H20N6OS/c1-3-19(28)22-14-8-10-15(11-9-14)29-21-23-17-7-5-4-6-16(17)20(25-21)24-18-12-13(2)26-27-18/h4-12H,3H2,1-2H3,(H,22,28)(H2,23,24,25,26,27)
Affinity DataKi:  1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50206860(CHEMBL3974799)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3Cl)n2)n[nH]1
Show InChI InChI=1S/C19H19ClN6O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(14(12)11-21)22-7-8-27-16-6-4-3-5-15(16)20/h3-6,9-10H,7-8H2,1-2H3,(H3,22,23,24,25,26)
Affinity DataKi:  1nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293686(CHEMBL559900 | N-(5-methyl-1H-pyrazol-3-yl)-2-(nap...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C22H17N5S/c1-14-12-20(27-26-14)24-21-18-8-4-5-9-19(18)23-22(25-21)28-17-11-10-15-6-2-3-7-16(15)13-17/h2-13H,1H3,(H2,23,24,25,26,27)
Affinity DataKi:  1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50277678(CHEMBL485186 | N-(4-(4-(4-cyclopropylpiperazin-1-y...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C2CC2)cc1
Show InChI InChI=1S/C24H30N8OS/c1-3-23(33)25-17-4-8-19(9-5-17)34-24-27-20(26-21-14-16(2)29-30-21)15-22(28-24)32-12-10-31(11-13-32)18-6-7-18/h4-5,8-9,14-15,18H,3,6-7,10-13H2,1-2H3,(H,25,33)(H2,26,27,28,29,30)
Affinity DataKi: <1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293689(CHEMBL549668 | N-methyl-N-(4-(4-(5-methyl-1H-pyraz...)
Show SMILES CN(C(C)=O)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
Show InChI InChI=1S/C21H20N6OS/c1-13-12-19(26-25-13)23-20-17-6-4-5-7-18(17)22-21(24-20)29-16-10-8-15(9-11-16)27(3)14(2)28/h4-12H,1-3H3,(H2,22,23,24,25,26)
Affinity DataKi: <1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50277640(CHEMBL485351 | N-(4-(4-(4-ethylpiperazin-1-yl)-6-(...)
Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)CC)cc2)n1
Show InChI InChI=1S/C23H30N8OS/c1-4-22(32)24-17-6-8-18(9-7-17)33-23-26-19(25-20-14-16(3)28-29-20)15-21(27-23)31-12-10-30(5-2)11-13-31/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,32)(H2,25,26,27,28,29)
Affinity DataKi: <1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293669(CHEMBL564449 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C22H20N6OS/c1-13-12-19(28-27-13)25-20-17-4-2-3-5-18(17)24-22(26-20)30-16-10-8-15(9-11-16)23-21(29)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28)
Affinity DataKi: <1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293699(CHEMBL554941 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C23H22N6OS/c1-3-22(30)24-17-9-11-18(12-10-17)31-23-25-19(16-7-5-4-6-8-16)14-20(27-23)26-21-13-15(2)28-29-21/h4-14H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
Affinity DataKi: <1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293671(CHEMBL561421 | N-(4-(4-(5-cyclopropyl-1H-pyrazol-3...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(n[nH]3)C3CC3)c3ccccc3n2)cc1
Show InChI InChI=1S/C22H20N6OS/c1-13(29)23-15-8-10-16(11-9-15)30-22-24-18-5-3-2-4-17(18)21(26-22)25-20-12-19(27-28-20)14-6-7-14/h2-5,8-12,14H,6-7H2,1H3,(H,23,29)(H2,24,25,26,27,28)
Affinity DataKi: <1nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50343939((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Show SMILES C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m0/s1
Affinity DataKi: <1nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50319622(CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)
Affinity DataKi:  1nMAssay Description:Inhibition of human recombinant Aurora A after 30 minsMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50343938(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
Affinity DataKi:  1.20nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50277679(CHEMBL484006 | N-(4-(4-(4-tert-butylpiperazin-1-yl...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(CC2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H34N8OS/c1-6-23(34)26-18-7-9-19(10-8-18)35-24-28-20(27-21-15-17(2)30-31-21)16-22(29-24)32-11-13-33(14-12-32)25(3,4)5/h7-10,15-16H,6,11-14H2,1-5H3,(H,26,34)(H2,27,28,29,30,31)
Affinity DataKi:  1.30nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50277639(CHEMBL484609 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C22H28N8OS/c1-4-21(31)23-16-5-7-17(8-6-16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
Affinity DataKi:  1.60nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50277586(CHEMBL484951 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCCCC2)cc1
Show InChI InChI=1S/C22H27N7OS/c1-3-21(30)23-16-7-9-17(10-8-16)31-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)29-11-5-4-6-12-29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)
Affinity DataKi:  1.60nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50277637(CHEMBL482778 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCOCC2)cc1
Show InChI InChI=1S/C21H25N7O2S/c1-3-20(29)22-15-4-6-16(7-5-15)31-21-24-17(23-18-12-14(2)26-27-18)13-19(25-21)28-8-10-30-11-9-28/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,29)(H2,23,24,25,26,27)
Affinity DataKi:  1.70nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A/Targeting protein for Xklp2 [1-43](Homo sapiens (Human))
University of Tartu, Ravila 14A, 50411 Tartu (Estonia)

LigandPNGBDBM50277545(4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...)
Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O
Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)
Affinity DataKi:  1.86nM ΔG°:  -50.7kJ/mole IC50: 1.78E+3nMT: 2°CAssay Description:Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293687(CHEMBL552033 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C19H18N6O2S2/c1-12-11-17(24-23-12)21-18-15-5-3-4-6-16(15)20-19(22-18)28-14-9-7-13(8-10-14)25-29(2,26)27/h3-11,25H,1-2H3,(H2,20,21,22,23,24)
Affinity DataKi:  2nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50004205(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)
Affinity DataKi:  2nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM13534(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)
Affinity DataKi:  2nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293682(2-(3,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-15(12)21-18(23-17)26-11-6-7-13(19)14(20)9-11/h2-9H,1H3,(H2,21,22,23,24,25)
Affinity DataKi:  2nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50206863(CHEMBL3966303)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3)n2)n[nH]1
Show InChI InChI=1S/C19H20N6O/c1-13-10-17(22-18-11-14(2)24-25-18)23-19(16(13)12-20)21-8-9-26-15-6-4-3-5-7-15/h3-7,10-11H,8-9H2,1-2H3,(H3,21,22,23,24,25)
Affinity DataKi:  2nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293680(2-(2,4-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)
Show SMILES Cc1cc(Nc2nc(Sc3ccc(Cl)cc3Cl)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H13Cl2N5S/c1-10-8-16(25-24-10)22-17-12-4-2-3-5-14(12)21-18(23-17)26-15-7-6-11(19)9-13(15)20/h2-9H,1H3,(H2,21,22,23,24,25)
Affinity DataKi:  2nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50206865(CHEMBL3912923)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3cccnc3)n2)n[nH]1
Show InChI InChI=1S/C18H19N7O/c1-12-8-16(22-17-9-13(2)24-25-17)23-18(15(12)10-19)21-6-7-26-14-4-3-5-20-11-14/h3-5,8-9,11H,6-7H2,1-2H3,(H3,21,22,23,24,25)
Affinity DataKi:  2nMAssay Description:Inhibition of recombinant Aurora A kinase derived from human Hela cells using kemptide as substrate in presence of [c-32P]ATPMore data for this Ligand-Target Pair
TargetAurora kinase A/Targeting protein for Xklp2 [1-43](Homo sapiens (Human))
University of Tartu, Ravila 14A, 50411 Tartu (Estonia)

LigandPNGBDBM109209(VX-689)
Show SMILES OC(=O)[C@]1(Cc2cccc(Nc3nccs3)n2)CCC(CC1)Oc1cccc(Cl)c1F
Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15?,22-
Affinity DataKi:  2.17nM ΔG°:  -50.3kJ/mole IC50: 2.07E+3nMT: 2°CAssay Description:Threefold dilution series of inhibitors in assay buffer were prepared in wells of a microtiter plate (final concentration stating from 2uM), and TAMR...More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50343947(2-(6-hydroxy-6-methylheptylamino)-4-methyl-6-(5-me...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1
Show InChI InChI=1S/C19H28N6O/c1-13-10-16(22-17-11-14(2)24-25-17)23-18(15(13)12-20)21-9-7-5-6-8-19(3,4)26/h10-11,26H,5-9H2,1-4H3,(H3,21,22,23,24,25)
Affinity DataKi:  2.30nMAssay Description:Inhibition of aurora AMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293693(CHEMBL557279 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20N6OS/c1-14-12-21(28-27-14)25-20-13-19(16-6-4-3-5-7-16)24-22(26-20)30-18-10-8-17(9-11-18)23-15(2)29/h3-13H,1-2H3,(H,23,29)(H2,24,25,26,27,28)
Affinity DataKi:  2.40nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293698(CHEMBL563682 | N-(4-(4-(azetidin-1-yl)-6-(5-methyl...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)N2CCC2)cc1
Show InChI InChI=1S/C20H23N7OS/c1-3-19(28)21-14-5-7-15(8-6-14)29-20-23-16(22-17-11-13(2)25-26-17)12-18(24-20)27-9-4-10-27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,28)(H2,22,23,24,25,26)
Affinity DataKi:  2.40nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293679(2-(2,3-dichlorophenylthio)-N-(5-methyl-1H-pyrazol-...)
Show SMILES Cc1cc(Nc2nc(Sc3cccc(Cl)c3Cl)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C18H13Cl2N5S/c1-10-9-15(25-24-10)22-17-11-5-2-3-7-13(11)21-18(23-17)26-14-8-4-6-12(19)16(14)20/h2-9H,1H3,(H2,21,22,23,24,25)
Affinity DataKi:  3nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50293700(CHEMBL560630 | N-(4-(4-(5-methyl-1H-pyrazol-3-ylam...)
Show SMILES CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(n2)-c2ccncc2)cc1
Show InChI InChI=1S/C22H21N7OS/c1-3-21(30)24-16-4-6-17(7-5-16)31-22-25-18(15-8-10-23-11-9-15)13-19(27-22)26-20-12-14(2)28-29-20/h4-13H,3H2,1-2H3,(H,24,30)(H2,25,26,27,28,29)
Affinity DataKi: <3nMAssay Description:Inhibition of Aurora-A by coupled assayMore data for this Ligand-Target Pair
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