| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055461
BDB055461
|
BDBM50418232
Nc1nc(NC2CCCC2)cc(-c2ccc3c(N)n[nH]c3c2)n1
|
C16H19N7 309.377000 |
LDKHTALMQVJDPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418232; PubChem:CID46214649
|
Local ready
Direct docking supported
|
|
E3L055462
BDB055462
|
BDBM50418233
Nc1nc(Nc2ccccc2)cc(-c2ccc3c(N)n[nH]c3c2)n1
|
C17H15N7 317.356000 |
JIJYWPGTRDMEFZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418233; PubChem:CID46215644
|
Local ready
Direct docking supported
|
|
E3L055463
BDB055463
|
BDBM50418234
CN(C)c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C13H15N7 269.312000 |
IYWBGQMZDRCNAW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418234; PubChem:CID51356855
|
Local ready
Direct docking supported
|
|
E3L055464
BDB055464
|
BDBM50418235
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCC2)n1
|
C15H17N7 295.350000 |
YVNIOYKTDJGJGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418235; PubChem:CID51356856
|
Local ready
Direct docking supported
|
|
E3L055465
BDB055465
|
BDBM50418236
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCCC2)n1
|
C16H19N7 309.377000 |
YVFNRXBPVWUZRV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418236; PubChem:CID46214650
|
Local ready
Direct docking supported
|
|
E3L055466
BDB055466
|
BDBM50418237
C[C@@H]1COCCN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1
|
C16H19N7O 325.376000 |
WNVXQKKSIHKYCX-SECBINFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418237; PubChem:CID46215988
|
Local ready
Direct docking supported
|
|
E3L055467
BDB055467
|
BDBM50418238
C[C@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C16H19N7O 325.376000 |
WNVXQKKSIHKYCX-VIFPVBQESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418238; PubChem:CID51354899
|
Local ready
Direct docking supported
|
|
E3L055468
BDB055468
|
BDBM50418239
CC[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C17H21N7O 339.403000 |
NOAWVMJDSNKUAH-LLVKDONJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418239; PubChem:CID46215992
|
Local ready
Direct docking supported
|
|
E3L055469
BDB055469
|
BDBM50418240
CC(C)[C@@H]1COCCN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C18H23N7O 353.430000 |
GMHWZMRUVIRLHT-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418240; PubChem:CID51357137
|
Local ready
Direct docking supported
|
|
E3L055470
BDB055470
|
BDBM50418241
Nc1nc(-c2ccc3c(N)[nH]nc3c2)cc(N2CCO[C@H](C(=O)Nc3ccccc3)C2)n1
|
C22H22N8O2 430.472000 |
NCSQDKMOKNQGSG-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418241; PubChem:CID50909914
|
Local ready
Direct docking supported
|
|
E3L055471
BDB055471
|
BDBM50418242
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCO[C@@H](C(=O)Nc3ccccc3)C2)n1
|
C22H22N8O2 430.472000 |
NCSQDKMOKNQGSG-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418242; PubChem:CID51354900
|
Local ready
Direct docking supported
|
|
E3L055472
BDB055472
|
BDBM50418243
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1
|
C23H24N8O 428.500000 |
CQRFXINTEFATOH-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418243; PubChem:CID51357417
|
Local ready
Direct docking supported
|
|
E3L055473
BDB055473
|
BDBM50418244
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1
|
C23H24N8O 428.500000 |
CQRFXINTEFATOH-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418244; PubChem:CID51355190
|
Local ready
Direct docking supported
|
|
E3L055474
BDB055474
|
BDBM50418245
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)n1
|
C23H30N8O 434.548000 |
PKLONJIIVGGTJL-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418245; PubChem:CID51357418
|
Local ready
Direct docking supported
|
|
E3L055475
BDB055475
|
BDBM50418246
C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C24H26N8O 442.527000 |
TXXYVBLFLGPQOR-GDBMZVCRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418246; PubChem:CID51357696
|
Local ready
Direct docking supported
|
|
E3L055476
BDB055476
|
BDBM50418247
Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCC(NC(=O)c3ccccc3)C2)n1
|
C23H24N8O 428.500000 |
YUJACPUEEGUFHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418247; PubChem:CID51354327
|
Local ready
Direct docking supported
|
|
E3L055477
BDB055477
|
BDBM50418248
CC(C)(C)OC(=O)NC1CCCN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1
|
C21H28N8O2 424.509000 |
HVNQYDHDQBJAAH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418248; PubChem:CID51354328
|
Local ready
Direct docking supported
|
|
E3L055478
BDB055478
|
BDBM50418249
CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1
|
C21H28N8O2 424.509000 |
HVNQYDHDQBJAAH-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418249; PubChem:CID51354330
|
Local ready
Direct docking supported
|
|
E3L055479
BDB055479
|
BDBM50418250
CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1
|
C21H28N8O2 424.509000 |
HVNQYDHDQBJAAH-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418250; PubChem:CID51354331
|
Local ready
Direct docking supported
|
|
E3L055480
BDB055480
|
BDBM50418251
C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1
|
C22H30N8O2 438.536000 |
GAMJJHMLLXIWRZ-GXTWGEPZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50418251; PubChem:CID50909916
|
Local ready
Direct docking supported
|