| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031721
BDB031721
|
BDBM635923
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(Cl)nc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C27H26ClN7O4 548.003000 |
VDOFAJCHUPIPJF-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635923; PubChem:CID166128504
|
Local ready
Direct docking supported
|
|
E3L031722
BDB031722
|
BDBM635924
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(Cl)c(OC)c(N5CCOCC5)n4)n[nH]c3c1)C(=O)N2
|
C27H26ClN7O4 548.003000 |
VVZFYSPOJOZMLX-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635924; PubChem:CID166128693
|
Local ready
Direct docking supported
|
|
E3L031723
BDB031723
|
US20230365537, Example 50
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(CCO)nc4OC)n[nH]c3c1)C(=O)N2
|
C24H24N6O4 460.494000 |
DTBYISKHJJWVSL-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635925; PubChem:CID166128699
|
Local ready
Direct docking supported
|
|
E3L031724
BDB031724
|
BDBM635926
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)nc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C30H31N7O4 553.623000 |
XKGBPAHADQKLHG-JRPXNJEYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635926; PubChem:CID166129357
|
Local ready
Direct docking supported
|
|
E3L031725
BDB031725
|
BDBM635927
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5C[C@@H](C)O[C@@H](C)C5)c4OC)n[nH]c3c1)C(=O)N2
|
C29H31N7O4 541.612000 |
VUYHYBMHVWMAIB-LIAIWCTCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635927; PubChem:CID166128547
|
Local ready
Direct docking supported
|
|
E3L031726
BDB031726
|
BDBM635928
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CCS(=O)(=O)CC5)c4Cl)n[nH]c3c1)C(=O)N2
|
C26H24ClN7O4S 566.043000 |
FPWMHTSISQKIJN-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635928; PubChem:CID166128614
|
Local ready
Direct docking supported
|
|
E3L031727
BDB031727
|
BDBM635929
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CCS(=O)(=O)CC5)c4OC)n[nH]c3c1)C(=O)N2
|
C27H27N7O5S 561.624000 |
AXMHRIFXJCSXEP-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635929; PubChem:CID166129505
|
Local ready
Direct docking supported
|
|
E3L031728
BDB031728
|
BDBM635930
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(CCO)nc4OC)n[nH]c3c1)C(=O)N2
|
C25H24N6O4 472.505000 |
IVVSNTYYOLGITN-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635930; PubChem:CID166129005
|
Local ready
Direct docking supported
|
|
E3L031729
BDB031729
|
BDBM635931
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(CCO)cnc4OC)n[nH]c3c1)C(=O)N2
|
C25H24N6O4 472.505000 |
LXEZOEFTXFCGGL-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635931; PubChem:CID166129218
|
Local ready
Direct docking supported
|
|
E3L031730
BDB031730
|
BDBM635932
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc(N5CCS(=O)(=O)CC5)c4OC)n[nH]c3c1)C(=O)N2
|
C28H29N7O5S 575.651000 |
HWJPKFJXKIQFMA-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635932; PubChem:CID166129248
|
Local ready
Direct docking supported
|
|
E3L031731
BDB031731
|
BDBM635933
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc(N5CCS(=O)(=O)CC5)c4Cl)n[nH]c3c1)C(=O)N2
|
C27H26ClN7O4S 580.070000 |
OFJINLPIXOGONH-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635933; PubChem:CID166128682
|
Local ready
Direct docking supported
|
|
E3L031732
BDB031732
|
BDBM635934
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCS(=O)(=O)CC5)nc(C5CC5)n4)n[nH]c3c1)C(=O)N2
|
C29H29N7O4S 571.663000 |
JIJFEPIYIIFIDK-LGGPFLRQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635934; PubChem:CID166128819
|
Local ready
Direct docking supported
|
|
E3L031733
BDB031733
|
BDBM635935
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCS(=O)(=O)CC5)nc(C)n4)n[nH]c3c1)C(=O)N2
|
C27H27N7O4S 545.625000 |
WZOYNDVCXZRUFV-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635935; PubChem:CID166128737
|
Local ready
Direct docking supported
|
|
E3L031734
BDB031734
|
BDBM635936
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C#N)nc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C28H26N8O4 538.568000 |
PSRLGAZAFLZIBW-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635936; PubChem:CID166129151
|
Local ready
Direct docking supported
|
|
E3L031735
BDB031735
|
BDBM635937
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C#N)nc(N5CCS(=O)(=O)CC5)c4OC)n[nH]c3c1)C(=O)N2
|
C28H26N8O5S 586.634000 |
URAWMLJNCGDQOU-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM635937
|
Local ready
Direct docking supported
|
|
E3L031736
BDB031736
|
US20230365537, Example 63
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(C)nc4C)n[nH]c3c1)C(=O)N2
|
C23H22N6O2 414.469000 |
AOGUTHXAJAPSQO-SBUREZEXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635938; PubChem:CID166128738
|
Local ready
Direct docking supported
|
|
E3L031737
BDB031737
|
US20230365537, Example 64
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(C)nc4C(F)(F)F)n[nH]c3c1)C(=O)N2
|
C23H19F3N6O2 468.439000 |
UTYPBPOCBOYPCT-NYHFZMIOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635939; PubChem:CID166128517
|
Local ready
Direct docking supported
|
|
E3L031738
BDB031738
|
US20230365537, Example 65
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cnn(C)c4)n[nH]c3c1)C(=O)N2
|
C22H20N6O2 400.442000 |
CQJVDJZHNQFAOH-JTSKRJEESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635940; PubChem:CID166128526
|
Local ready
Direct docking supported
|
|
E3L031739
BDB031739
|
US20230365537, Example 66
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(C)nc4C#N)n[nH]c3c1)C(=O)N2
|
C23H19N7O2 425.452000 |
AZRJFUUHLIAKKP-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635941; PubChem:CID166129086
|
Local ready
Direct docking supported
|
|
E3L031740
BDB031740
|
BDBM635942
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc(N5C[C@@H](C)O[C@@H](C)C5)c4OC)n[nH]c3c1)C(=O)N2
|
C30H33N7O4 555.639000 |
CMLSWGVOCIGIAK-QMAMNIRHSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM635942
|
Local ready
Direct docking supported
|