| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L026541
BDB026541
|
BDBM560635
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(C(F)(F)F)c4)[C@H](C)C3)n2)n[nH]1
|
C25H27F4N5O2 505.516000 |
JNUOYJIFPAGVNI-VOIUYBSRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560635; PubChem:CID164812393
|
Local ready
Direct docking supported
|
|
E3L026542
BDB026542
|
US11384066, Example 23
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4cc(Cl)c(F)c(Cl)c4)[C@H](C)C3)n2)n[nH]1
|
C24H25Cl2F2N5O2 524.399000 |
HOGWQTOSZMFOAJ-JBEBIEQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560636; PubChem:CID164812570
|
Local ready
Direct docking supported
|
|
E3L026543
BDB026543
|
US11384066, Example 26
Cc1cc(Nc2ncc(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C23H25ClF2N6O2 490.942000 |
INLLBWVXFCOIDQ-QKFKETGDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560637; PubChem:CID164812640
|
Local ready
Direct docking supported
|
|
E3L026544
BDB026544
|
US11384066, Example 27
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(Cc4ccc(F)c(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H25ClF3N5O2 507.944000 |
RHIXHHWKASAAHP-JBEBIEQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560638; PubChem:CID164812303
|
Local ready
Direct docking supported
|
|
E3L026545
BDB026545
|
US11384066, Example 29
Cc1cc(Nc2cccc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H27ClFN5O2 471.964000 |
DTHIPVGUOHBTJC-VOIUYBSRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560639; PubChem:CID164812501
|
Local ready
Direct docking supported
|
|
E3L026546
BDB026546
|
US11384066, Example 30
Cc1cc(Nc2cc(F)cc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C24H26ClF2N5O2 489.954000 |
SEYBQYNGNHTWDW-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560640; PubChem:CID164812614
|
Local ready
Direct docking supported
|
|
E3L026547
BDB026547
|
US11384066, Example 33
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)cnc2C)n[nH]1
|
C24H28ClFN6O2 486.979000 |
SOCFAEWXYJEKPE-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560641; PubChem:CID164812484
|
Local ready
Direct docking supported
|
|
E3L026548
BDB026548
|
US11384066, Example 35
Cc1cc(Nc2nc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)c(F)cc2C)[nH]n1
|
C25H28ClF2N5O2 503.981000 |
WYEVKXNGZFJOOI-PUAOIOHZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560642; PubChem:CID164812723
|
Local ready
Direct docking supported
|
|
E3L026549
BDB026549
|
BDBM560643
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(C(=O)Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C25H26ClF2N5O3 517.964000 |
ZBLXMVSBOPAZEE-SGANQWHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560643; PubChem:CID164812552
|
Local ready
Direct docking supported
|
|
E3L026550
BDB026550
|
BDBM560644
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN(C(=O)c4ccccc4C(F)(F)F)[C@H](C)C3)n2)n[nH]1
|
C25H25F4N5O3 519.499000 |
AWTJAJXMSWVGMS-OYLFLEFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560644; PubChem:CID163303835
|
Local ready
Direct docking supported
|
|
E3L026551
BDB026551
|
US11384066, Example 41
Cc1cc(Nc2ccc(F)c(C[C@@]3(C(=O)O)CCN([C@@H](C)c4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C25H28ClF2N5O2 503.981000 |
OZFMHKGOJNRRMZ-ITNZAGEZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560645; PubChem:CID163857091
|
Local ready
Direct docking supported
|
|
E3L026552
BDB026552
|
US11384066, Example 45
Cc1cc(Nc2cncc(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C23H26ClFN6O2 472.952000 |
OLDWHOFNZYPPSR-IQMFZBJNSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560646; PubChem:CID163303917
|
Local ready
Direct docking supported
|
|
E3L026553
BDB026553
|
Aurora A inhibitor 1
Cc1cc(Nc2cc(C)c(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C25H28ClF2N5O2 503.981000 |
FFBJZTQMALZDTE-PUAOIOHZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560647; PubChem:CID163196310
|
Local ready
Direct docking supported
|
|
E3L026554
BDB026554
|
US11384066, Example 50
Cc1cc(Nc2cc(C)c(F)c(C[C@@]3(C(=O)O)CCN(Cc4c(F)ccc(Cl)c4F)[C@H](C)C3)n2)n[nH]1
|
C25H27ClF3N5O2 521.971000 |
WDDYOKLMIHMUSU-SGANQWHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560648; PubChem:CID164812332
|
Local ready
Direct docking supported
|
|
E3L026555
BDB026555
|
US11384066, Example 51
Cc1cc(Nc2cc(C)c(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)CC3)n2)n[nH]1
|
C24H26ClF2N5O2 489.954000 |
ODLVSMKOGBYEPO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560649; PubChem:CID164812298
|
Local ready
Direct docking supported
|
|
E3L026556
BDB026556
|
US11384066, Example 52
Cc1cc(Nc2cc(C)c(F)c(CC3(C(=O)O)CCN(Cc4cccc(F)c4F)CC3)n2)n[nH]1
|
C24H26F3N5O2 473.499000 |
OQZRGKVYJFCLHE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560650; PubChem:CID164812491
|
Local ready
Direct docking supported
|
|
E3L026557
BDB026557
|
US11384066, Example 53
Cc1cc(Nc2cc(C)c(F)c(C[C@@]3(C(=O)O)CCN(Cc4cccc(Cl)c4Cl)[C@H](C)C3)n2)n[nH]1
|
C25H28Cl2FN5O2 520.436000 |
XUGCPDXHIQDAKV-PUAOIOHZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560651; PubChem:CID164812764
|
Local ready
Direct docking supported
|
|
E3L026558
BDB026558
|
US11384066, Example 54
Cc1cc(Nc2cc(C)c(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4Cl)CC3)n2)n[nH]1
|
C24H26Cl2FN5O2 506.409000 |
VATUQWRZIIQRGK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560652; PubChem:CID164812305
|
Local ready
Direct docking supported
|
|
E3L026559
BDB026559
|
BDBM560653
Cc1cc(Nc2cc(C)c(F)c(CC3(C(=O)O)CCN(Cc4c(F)ccc(Cl)c4F)CC3)n2)n[nH]1
|
C24H25ClF3N5O2 507.944000 |
VIUAVSFAVVPUHD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560653; PubChem:CID164812720
|
Local ready
Direct docking supported
|
|
E3L026560
BDB026560
|
US11384066, Example 66
CCc1cc(Nc2cc(C)[nH]n2)nc(CC2(C(=O)O)CCN(Cc3cccc(Cl)c3F)CC2)c1F
|
C25H28ClF2N5O2 503.981000 |
QOYWSCMDSDPETI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM560654; PubChem:CID164812284
|
Local ready
Direct docking supported
|