| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031741
BDB031741
|
BDBM635943
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(CCO)nc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C29H31N7O5 557.611000 |
RVPQEYCUZGQLLN-WRONEBCDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635943; PubChem:CID166129298
|
Local ready
Direct docking supported
|
|
E3L031742
BDB031742
|
BDBM635944
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)nc(N5CCS(=O)(=O)CC5)c4OC)n[nH]c3c1)C(=O)N2
|
C30H31N7O5S 601.689000 |
RMMSLBOBFDYZCK-JRPXNJEYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM635944
|
Local ready
Direct docking supported
|
|
E3L031743
BDB031743
|
BDBM635945
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)nc(N5CCS(=O)(=O)CC5)c4Cl)n[nH]c3c1)C(=O)N2
|
C29H28ClN7O4S 606.108000 |
VZTSXPRAPGCSCR-WRONEBCDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635945; PubChem:CID166128502
|
Local ready
Direct docking supported
|
|
E3L031744
BDB031744
|
BDBM635946
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)cnc4OC)n[nH]c3c1)C(=O)N2
|
C24H22N6O3 442.479000 |
SCIOAYVRXBCGMK-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635946; PubChem:CID166128431
|
Local ready
Direct docking supported
|
|
E3L031745
BDB031745
|
BDBM635947
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc(N5CC(O)C5)c4Cl)n[nH]c3c1)C(=O)N2
|
C26H24ClN7O3 517.977000 |
CNMLMSRMIXOQJZ-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635947; PubChem:CID166128542
|
Local ready
Direct docking supported
|
|
E3L031746
BDB031746
|
BDBM635948
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc(N5CC(O)C5)c4OC)n[nH]c3c1)C(=O)N2
|
C27H27N7O4 513.558000 |
GXMDRKHWCOVIFB-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635948; PubChem:CID166129041
|
Local ready
Direct docking supported
|
|
E3L031747
BDB031747
|
US20230365537, Example 74
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)nn4C)n[nH]c3c1)C(=O)N2
|
C23H22N6O2 414.469000 |
FQSHTSWWNWIELG-SBUREZEXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635949; PubChem:CID166128511
|
Local ready
Direct docking supported
|
|
E3L031748
BDB031748
|
US20230365537, Example 75
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4c(OC)cnn4C)n[nH]c3c1)C(=O)N2
|
C23H22N6O3 430.468000 |
AKFDQWCGGQUYHV-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635950; PubChem:CID166128626
|
Local ready
Direct docking supported
|
|
E3L031749
BDB031749
|
BDBM635951
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)nc(N5CC(O)C5)c4Cl)n[nH]c3c1)C(=O)N2
|
C28H26ClN7O3 544.015000 |
TVLISAFENSCERO-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635951; PubChem:CID166129205
|
Local ready
Direct docking supported
|
|
E3L031750
BDB031750
|
BDBM635952
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)nc(N5C[C@@H](C)O[C@@H](C)C5)c4OC)n[nH]c3c1)C(=O)N2
|
C32H35N7O4 581.677000 |
CBARCXVJBABQHT-LZKUQTENSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM635952
|
Local ready
Direct docking supported
|
|
E3L031751
BDB031751
|
BDBM635953
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C(C)C)nc(N5CCS(=O)(=O)CC5)c4Cl)n[nH]c3c1)C(=O)N2
|
C29H30ClN7O4S 608.124000 |
BXRQHDUUZXKTBX-WRONEBCDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635953; PubChem:CID166128963
|
Local ready
Direct docking supported
|
|
E3L031752
BDB031752
|
BDBM635954
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nn(C)cc4OC)n[nH]c3c1)C(=O)N2
|
C23H22N6O3 430.468000 |
HCCIPHZGDVGCQS-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635954; PubChem:CID166128876
|
Local ready
Direct docking supported
|
|
E3L031753
BDB031753
|
BDBM635955
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)cnc4OC)n[nH]c3c1)C(=O)N2
|
C26H24N6O3 468.517000 |
COYIMHAMNHOPTJ-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635955; PubChem:CID166129061
|
Local ready
Direct docking supported
|
|
E3L031754
BDB031754
|
BDBM635956
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)nc(N5CC(O)C5)c4OC)n[nH]c3c1)C(=O)N2
|
C29H29N7O4 539.596000 |
PYWVRRARNRCHNK-WRONEBCDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635956; PubChem:CID166128811
|
Local ready
Direct docking supported
|
|
E3L031755
BDB031755
|
BDBM635957
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)cnc4C)n[nH]c3c1)C(=O)N2
|
C24H22N6O2 426.480000 |
PDOXJVQIOMGRBV-UUOWRZLLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635957; PubChem:CID166129175
|
Local ready
Direct docking supported
|
|
E3L031756
BDB031756
|
BDBM635958
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C(C)C)cnc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N6O3 470.533000 |
AAEYSRYWDWVNOK-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635958; PubChem:CID166128884
|
Local ready
Direct docking supported
|
|
E3L031757
BDB031757
|
BDBM635959
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C(C)C)nc5c4OCC4CS(=O)(=O)CCN54)n[nH]c3c1)C(=O)N2
|
C30H31N7O5S 601.689000 |
TXKJMMAMZNSOJM-WVMHEYOFSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM635959
|
Local ready
Direct docking supported
|
|
E3L031758
BDB031758
|
BDBM635960
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C(C)C)nc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C30H33N7O4 555.639000 |
VWOIHTWLLQUMQY-JRPXNJEYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635960; PubChem:CID166129121
|
Local ready
Direct docking supported
|
|
E3L031759
BDB031759
|
BDBM635961
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)ncc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O3 441.491000 |
OOYQDHAUSXMJRM-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635961; PubChem:CID166129366
|
Local ready
Direct docking supported
|
|
E3L031760
BDB031760
|
BDBM635962
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4OC)n[nH]c3c1)C(=O)N2
|
C24H22N6O3 442.479000 |
MOVPUGMNBIXRIN-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635962; PubChem:CID166129211
|
Local ready
Direct docking supported
|