Compile Data Set for Download or QSAR
Found 32 Enz. Inhib. hit(s) with all data for entry = 50043079
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50241089(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)
Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
Affinity DataKi:  0.370nMAssay Description:Inhibition of aurora B (unknown origin)More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

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 C(Homo sapiens (Human))
Xuzhou Medical College

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:  4.60nMAssay Description:Inhibition of aurora C (unknown origin)More data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

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:  18nMAssay Description:Inhibition of aurora B (unknown origin)More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50241089(2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...)
Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O
Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)
Affinity DataKi:  1.37E+3nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

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 DataIC50: 1nMAssay Description:Inhibition of aurora A (unknown origin)More data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435694(CHEMBL2392111)
Show SMILES CS(=O)(=O)c1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
Show InChI InChI=1S/C20H21ClN8O3S/c1-33(30,31)20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-32-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435693(CHEMBL2392112)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
Show InChI InChI=1S/C16H14ClN7O2S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)27(2,25)26/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
Affinity DataIC50: 2.30nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM27087(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)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM27087(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)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435694(CHEMBL2392111)
Show SMILES CS(=O)(=O)c1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
Show InChI InChI=1S/C20H21ClN8O3S/c1-33(30,31)20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-32-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 29nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435693(CHEMBL2392112)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
Show InChI InChI=1S/C16H14ClN7O2S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)27(2,25)26/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
Affinity DataIC50: 45nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435703(CHEMBL2392101)
Show SMILES Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
Show InChI InChI=1S/C20H21ClN8O/c1-12-23-17(21)9-18(24-12)25-16-10-22-28-19(16)20-26-14-3-2-13(8-15(14)27-20)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,26,27)(H,23,24,25)
Affinity DataIC50: 69nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435702(CHEMBL2392102)
Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
Show InChI InChI=1S/C20H21ClN8OS/c1-31-20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 72nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435692(CHEMBL2392113)
Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
Show InChI InChI=1S/C20H23ClN8O2S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)32(3,30)31/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 78nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435696(CHEMBL2392109)
Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(SC)n1
Show InChI InChI=1S/C20H23ClN8S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)30-3/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 86nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435699(CHEMBL2392105)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1
Show InChI InChI=1S/C16H14ClN7/c1-8-3-4-10-11(5-8)23-16(22-10)15-12(7-18-24-15)21-14-6-13(17)19-9(2)20-14/h3-7H,1-2H3,(H,18,24)(H,22,23)(H,19,20,21)
Affinity DataIC50: 91nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435703(CHEMBL2392101)
Show SMILES Cc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
Show InChI InChI=1S/C20H21ClN8O/c1-12-23-17(21)9-18(24-12)25-16-10-22-28-19(16)20-26-14-3-2-13(8-15(14)27-20)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,26,27)(H,23,24,25)
Affinity DataIC50: 92nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435696(CHEMBL2392109)
Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(SC)n1
Show InChI InChI=1S/C20H23ClN8S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)30-3/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 99nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435700(CHEMBL2392104)
Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C30H30ClN9OS/c31-25-15-26(38-30(37-25)42-21-9-7-20(8-10-21)33-29(41)19-5-6-19)34-24-16-32-39-27(24)28-35-22-11-4-18(14-23(22)36-28)17-40-12-2-1-3-13-40/h4,7-11,14-16,19H,1-3,5-6,12-13,17H2,(H,32,39)(H,33,41)(H,35,36)(H,34,37,38)
Affinity DataIC50: 125nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435699(CHEMBL2392105)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1
Show InChI InChI=1S/C16H14ClN7/c1-8-3-4-10-11(5-8)23-16(22-10)15-12(7-18-24-15)21-14-6-13(17)19-9(2)20-14/h3-7H,1-2H3,(H,18,24)(H,22,23)(H,19,20,21)
Affinity DataIC50: 139nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435702(CHEMBL2392102)
Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1
Show InChI InChI=1S/C20H21ClN8OS/c1-31-20-26-16(21)9-17(27-20)23-15-10-22-28-18(15)19-24-13-3-2-12(8-14(13)25-19)11-29-4-6-30-7-5-29/h2-3,8-10H,4-7,11H2,1H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 144nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435700(CHEMBL2392104)
Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C30H30ClN9OS/c31-25-15-26(38-30(37-25)42-21-9-7-20(8-10-21)33-29(41)19-5-6-19)34-24-16-32-39-27(24)28-35-22-11-4-18(14-23(22)36-28)17-40-12-2-1-3-13-40/h4,7-11,14-16,19H,1-3,5-6,12-13,17H2,(H,32,39)(H,33,41)(H,35,36)(H,34,37,38)
Affinity DataIC50: 191nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435701(CHEMBL2392103)
Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C29H28ClN9O2S/c30-24-14-25(37-29(36-24)42-20-6-4-19(5-7-20)32-28(40)18-2-3-18)33-23-15-31-38-26(23)27-34-21-8-1-17(13-22(21)35-27)16-39-9-11-41-12-10-39/h1,4-8,13-15,18H,2-3,9-12,16H2,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37)
Affinity DataIC50: 215nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435698(CHEMBL2392106)
Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(C)cc3[nH]2)n1
Show InChI InChI=1S/C16H14ClN7S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)25-2/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
Affinity DataIC50: 231nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435695(CHEMBL2392110)
Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C29H30ClN9OS/c1-3-39(4-2)16-17-5-12-21-22(13-17)35-27(34-21)26-23(15-31-38-26)33-25-14-24(30)36-29(37-25)41-20-10-8-19(9-11-20)32-28(40)18-6-7-18/h5,8-15,18H,3-4,6-7,16H2,1-2H3,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37)
Affinity DataIC50: 249nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435698(CHEMBL2392106)
Show SMILES CSc1nc(Cl)cc(Nc2c[nH]nc2-c2nc3ccc(C)cc3[nH]2)n1
Show InChI InChI=1S/C16H14ClN7S/c1-8-3-4-9-10(5-8)21-15(20-9)14-11(7-18-24-14)19-13-6-12(17)22-16(23-13)25-2/h3-7H,1-2H3,(H,18,24)(H,20,21)(H,19,22,23)
Affinity DataIC50: 321nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435692(CHEMBL2392113)
Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(n1)S(C)(=O)=O
Show InChI InChI=1S/C20H23ClN8O2S/c1-4-29(5-2)11-12-6-7-13-14(8-12)25-19(24-13)18-15(10-22-28-18)23-17-9-16(21)26-20(27-17)32(3,30)31/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,24,25)(H,23,26,27)
Affinity DataIC50: 392nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435701(CHEMBL2392103)
Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C29H28ClN9O2S/c30-24-14-25(37-29(36-24)42-20-6-4-19(5-7-20)32-28(40)18-2-3-18)33-23-15-31-38-26(23)27-34-21-8-1-17(13-22(21)35-27)16-39-9-11-41-12-10-39/h1,4-8,13-15,18H,2-3,9-12,16H2,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37)
Affinity DataIC50: 412nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435695(CHEMBL2392110)
Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C29H30ClN9OS/c1-3-39(4-2)16-17-5-12-21-22(13-17)35-27(34-21)26-23(15-31-38-26)33-25-14-24(30)36-29(37-25)41-20-10-8-19(9-11-20)32-28(40)18-6-7-18/h5,8-15,18H,3-4,6-7,16H2,1-2H3,(H,31,38)(H,32,40)(H,34,35)(H,33,36,37)
Affinity DataIC50: 424nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase A(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435704(CHEMBL2392107)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C25H21ClN8OS/c1-13-2-9-17-18(10-13)31-23(30-17)22-19(12-27-34-22)29-21-11-20(26)32-25(33-21)36-16-7-5-15(6-8-16)28-24(35)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,27,34)(H,28,35)(H,30,31)(H,29,32,33)
Affinity DataIC50: 1.13E+3nMAssay Description:Inhibition of aurora A (unknown origin) after 1 hr by HTRF assayMore data for this Ligand-Target Pair
TargetAurora kinase B(Homo sapiens (Human))
Xuzhou Medical College

Curated by ChEMBL
LigandPNGBDBM50435697(CHEMBL2392108)
Show SMILES CCN(CC)Cc1ccc2nc([nH]c2c1)-c1n[nH]cc1Nc1cc(Cl)nc(C)n1
Show InChI InChI=1S/C20H23ClN8/c1-4-29(5-2)11-13-6-7-14-15(8-13)27-20(26-14)19-16(10-22-28-19)25-18-9-17(21)23-12(3)24-18/h6-10H,4-5,11H2,1-3H3,(H,22,28)(H,26,27)(H,23,24,25)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of aurora B (unknown origin) by HTRF assayMore data for this Ligand-Target Pair