| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016721
BDB016721
|
BDBM375403
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCC(N(C)C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H33N5O2 507.638000 |
AGNNSNNILSKINY-HVNZXBJASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375403; PubChem:CID58486141
|
Local ready
Direct docking supported
|
|
E3L016722
BDB016722
|
BDBM375409
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCC(N6CCOCC6)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C33H35N5O3 549.675000 |
HLFMYDGYOOLGRL-UVMMSNCQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375409; PubChem:CID58486331
|
Local ready
Direct docking supported
|
|
E3L016723
BDB016723
|
US9907800, Example A123
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(C5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H30N4O2 478.596000 |
GTYYPLPRQQGVLG-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375411; PubChem:CID58486259
|
Local ready
Direct docking supported
|
|
E3L016724
BDB016724
|
BDBM375414
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2
|
C30H31N5O2 493.611000 |
OMFRMSODXLGAQT-NMMAUKDOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375414; PubChem:CID58486208
|
Local ready
Direct docking supported
|
|
E3L016725
BDB016725
|
US9907800, Example A127
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CC[C@@H](N(C)C)C5)cc4)n[nH]c3c1)C(=O)N2
|
C30H31N5O2 493.611000 |
DUQGAERJZZAWAG-GTCJMHBKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375415; PubChem:CID58486334
|
Local ready
Direct docking supported
|
|
E3L016726
BDB016726
|
US9907800, Example A129
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N(C)CCN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C29H31N5O2 481.600000 |
QINRHZHBQYRVEG-OUTSHDOLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375417; PubChem:CID58486300
|
Local ready
Direct docking supported
|
|
E3L016727
BDB016727
|
BDBM375418
NS(=O)(=O)c1cccc(-c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)c1
|
C23H18N4O3S 430.489000 |
RWNOZXNOVKBPNV-MBSDFSHPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375418; PubChem:CID67448479
|
Local ready
Direct docking supported
|
|
E3L016728
BDB016728
|
BDBM375419
COCCN1C(=O)[C@@]2(C[C@H]2c2ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc21
|
C31H32N4O2 492.623000 |
CSQJWBIHOOKWIY-CUQMHDSBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375419; PubChem:CID58486252
|
Local ready
Direct docking supported
|
|
E3L016729
BDB016729
|
BDBM375420
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4cccc(CN5CCOCC5)c4)n[nH]c3c1)C(=O)N2
|
C31H30N4O3 506.606000 |
PXWPZSUQVIGWMZ-KXAXWAFUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375420; PubChem:CID58486206
|
Local ready
Direct docking supported
|
|
E3L016730
BDB016730
|
BDBM375422
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4cccc(CN(C)C)c4)n[nH]c3c1)C(=O)N2
|
C29H28N4O2 464.569000 |
CPUPXAUVMUYNKV-VRETXUBVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375422; PubChem:CID58486371
|
Local ready
Direct docking supported
|
|
E3L016731
BDB016731
|
BDBM375424
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4cccc(CN5CCOCC5)c4)n[nH]c3c1)C(=O)N2
|
C29H28N4O3 480.568000 |
FLIWOAZGZCYVFO-OUTSHDOLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375424; PubChem:CID58486289
|
Local ready
Direct docking supported
|
|
E3L016732
BDB016732
|
BDBM375427
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C29H28N4O3 480.568000 |
STQSCJJDRWPHKU-OUTSHDOLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375427; PubChem:CID58486286
|
Local ready
Direct docking supported
|
|
E3L016733
BDB016733
|
BDBM375428
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(CN5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H31N5O2 493.611000 |
OINKWODYCAYVPA-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375428; PubChem:CID58486308
|
Local ready
Direct docking supported
|
|
E3L016734
BDB016734
|
BDBM375429
CCc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4cccc(CN5CCOCC5)c4)n[nH]c3c1)C(=O)N2
|
C30H30N4O2 478.596000 |
ULZGQYZFCLSFCJ-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375429; PubChem:CID67954784
|
Local ready
Direct docking supported
|
|
E3L016735
BDB016735
|
BDBM375434
CCN(CC)Cc1c(F)cc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)cc1F
|
C31H30F2N4O2 528.603000 |
NJFORHDBRDOASF-XNRBFUAUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375434; PubChem:CID58486325
|
Local ready
Direct docking supported
|
|
E3L016736
BDB016736
|
BDBM375436
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(C(=O)N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H29N5O3 507.594000 |
KRDUFZIYLQNDNC-NGQVCNFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375436; PubChem:CID67954770
|
Local ready
Direct docking supported
|
|
E3L016737
BDB016737
|
BDBM375440
O=C1Nc2ccccc2[C@]12CC2c1ccc2c(/C=C/c3cccc(CN4CCOCC4)c3)n[nH]c2c1
|
C30H28N4O2 476.580000 |
CVMCIQIOWUFBGE-CMGYMHGUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375440; PubChem:CID58486150
|
Local ready
Direct docking supported
|
|
E3L016738
BDB016738
|
BDBM375443
O=C1Nc2ccccc2[C@]12CC2c1ccc2c(-c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
|
C28H26N4O2 450.542000 |
CZCPWBUJMRPLBG-WOKNPCPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375443; PubChem:CID67979051
|
Local ready
Direct docking supported
|
|
E3L016739
BDB016739
|
BDBM375445
CN1CCN(C(=O)c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1
|
C29H27N5O2 477.568000 |
CEGNHBBDMRVBAJ-IADCTJSHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375445; PubChem:CID58486260
|
Local ready
Direct docking supported
|
|
E3L016740
BDB016740
|
BDBM375449
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(CCN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H30N4O3 494.595000 |
QZWPJRYZOFVBGD-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375449; PubChem:CID67954917
|
Local ready
Direct docking supported
|