| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L032021
BDB032021
|
US11884671, Example 10
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCC(O)CC1)c(=O)n2C
|
C21H23N7O2 405.462000 |
JHYPYJLPMJWBRK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648233; PubChem:CID146275567
|
Local ready
Direct docking supported
|
|
E3L032022
BDB032022
|
US11884671, Example 6
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n(C1CCC(O)CC1)c(=O)n2C
|
C22H24N6O2 404.474000 |
WGZHCNCLATVGMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648234; PubChem:CID146275557
|
Local ready
Direct docking supported
|
|
E3L032023
BDB032023
|
BDBM648235
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n([C@H]1CC[C@@H](O)CC1)c(=O)n2C
|
C21H23N7O2 405.462000 |
GYKYXWNQBPQNMX-GASCZTMLSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648235
|
Local ready
Direct docking supported
|
|
E3L032024
BDB032024
|
BDBM648237
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1CC[C@@](C)(O)CC1)c(=O)n2C
|
C23H26N6O2 418.501000 |
VPSBBEMZQFPIRW-PAVFIEEWSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648237
|
Local ready
Direct docking supported
|
|
E3L032025
BDB032025
|
BDBM648238
Cc1cc2ncccc2cc1Nc1ncc2c(n1)n([C@H]1CC[C@](C)(O)CC1)c(=O)n2C
|
C23H26N6O2 418.501000 |
VPSBBEMZQFPIRW-QXONSOMPSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648238
|
Local ready
Direct docking supported
|
|
E3L032026
BDB032026
|
BDBM648239
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n([C@H]1CC[C@@](C)(O)CC1)c(=O)n2C
|
C22H25N7O2 419.489000 |
AQUJSJWSDWOFFI-FVUUGDKNSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648239
|
Local ready
Direct docking supported
|
|
E3L032027
BDB032027
|
BDBM648240
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n([C@H]1CC[C@](C)(O)CC1)c(=O)n2C
|
C22H25N7O2 419.489000 |
AQUJSJWSDWOFFI-VVONHTQRSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648240
|
Local ready
Direct docking supported
|
|
E3L032028
BDB032028
|
US11884671, Example 18
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCC(C)(O)CC1)c(=O)n2C
|
C22H25N7O2 419.489000 |
ATTXFDBPVDTNAP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648241; PubChem:CID146275484
|
Local ready
Direct docking supported
|
|
E3L032029
BDB032029
|
US11884671, Example 18
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCC(C)(O)CC1)c(=O)n2C
|
C22H25N7O2 419.489000 |
ATTXFDBPVDTNAP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648242; PubChem:CID146275484
|
Local ready
Direct docking supported
|
|
E3L032030
BDB032030
|
BDBM648243
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n([C@]1(C)CC[C@H](O)CC1)c(=O)n2C
|
C22H25N7O2 419.489000 |
WMVFYJNFGFTSCQ-XLOAEROZSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM648243
|
Local ready
Direct docking supported
|
|
E3L032031
BDB032031
|
US11884671, Example 21
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n([C@H]1CCOC1)c(=O)n2C
|
C19H19N7O2 377.408000 |
DVRXZYRVMUERPM-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648244; PubChem:CID146273882
|
Local ready
Direct docking supported
|
|
E3L032032
BDB032032
|
US11884671, Example 22
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n([C@H]1CCOC1)c(=O)n2C
|
C19H19N7O2 377.408000 |
HSLMZCVAAYFCJI-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648245; PubChem:CID146273910
|
Local ready
Direct docking supported
|
|
E3L032033
BDB032033
|
US11884671, Example 23
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n([C@@H]1CCOC1)c(=O)n2C
|
C19H19N7O2 377.408000 |
DVRXZYRVMUERPM-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648246; PubChem:CID146275561
|
Local ready
Direct docking supported
|
|
E3L032034
BDB032034
|
US11884671, Example 24
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n([C@@H]1CCOC1)c(=O)n2C
|
C19H19N7O2 377.408000 |
HSLMZCVAAYFCJI-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648247; PubChem:CID146275523
|
Local ready
Direct docking supported
|
|
E3L032035
BDB032035
|
US11884671, Example 25
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n(C1CCCOC1)c(=O)n2C
|
C20H21N7O2 391.435000 |
MUSBPXCQBAUPOW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648248; PubChem:CID146275575
|
Local ready
Direct docking supported
|
|
E3L032036
BDB032036
|
US11884671, Example 26
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n(C1CCCOC1)c(=O)n2C
|
C20H21N7O2 391.435000 |
AFUPGYSWJDPPIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648249; PubChem:CID146275585
|
Local ready
Direct docking supported
|
|
E3L032037
BDB032037
|
US11884671, Example 27
Cc1cc2nnccc2cc1Nc1ncc2c(n1)n([C@H]1CCCOC1)c(=O)n2C
|
C20H21N7O2 391.435000 |
MUSBPXCQBAUPOW-AWEZNQCLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648250; PubChem:CID146275577
|
Local ready
Direct docking supported
|
|
E3L032038
BDB032038
|
US11884671, Example 28
Cc1cc2nccnc2cc1Nc1ncc2c(n1)n([C@H]1CCCOC1)c(=O)n2C
|
C20H21N7O2 391.435000 |
AFUPGYSWJDPPIM-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648251; PubChem:CID146935297
|
Local ready
Direct docking supported
|
|
E3L032039
BDB032039
|
US11884671, Example 33
Cc1cnc2cc(C)c(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)cc2n1
|
C21H23N7O2 405.462000 |
VIEWBRPNEODVDO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648256; PubChem:CID146275587
|
Local ready
Direct docking supported
|
|
E3L032040
BDB032040
|
US11884671, Example 34
Cc1cnc2cc(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)c(C)cc2n1
|
C21H23N7O2 405.462000 |
WSRWJFCLRSRTHY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM648257; PubChem:CID146275582
|
Local ready
Direct docking supported
|