| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016701
BDB016701
|
BDBM375357
CN1CCc2cc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)ccc2C1
|
C27H24N4O 420.516000 |
BVUZVEFUZFGJOL-CUNXSJBXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375357; PubChem:CID58486290
|
Local ready
Direct docking supported
|
|
E3L016702
BDB016702
|
BDBM375360
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(OC5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H32N4O3 520.633000 |
QFLKOWMIMRBTJE-AQYGFFOPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375360; PubChem:CID58486257
|
Local ready
Direct docking supported
|
|
E3L016703
BDB016703
|
BDBM375361
CC(C)(c1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1)N1CCOCC1
|
C32H32N4O2 504.634000 |
CDGXKGOALQKDEI-JOVSGPACSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375361; PubChem:CID58486376
|
Local ready
Direct docking supported
|
|
E3L016704
BDB016704
|
BDBM375362
CN1CCC(Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1
|
C32H32N4O 488.635000 |
QSPMXVQESOOFJJ-CQOSYCHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375362; PubChem:CID58486310
|
Local ready
Direct docking supported
|
|
E3L016705
BDB016705
|
BDBM375363
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CC5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C33H34N4O2 518.661000 |
HYZNJHCDRVFRFU-GPSOGYFQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375363; PubChem:CID58486354
|
Local ready
Direct docking supported
|
|
E3L016706
BDB016706
|
BDBM375364
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCCC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H30N4O2 490.607000 |
JHXXMRKPFOCHDP-ADHNPFMBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375364; PubChem:CID58486317
|
Local ready
Direct docking supported
|
|
E3L016707
BDB016707
|
BDBM375368
CN1C(=O)[C@@]2(CC2c2ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c2)c2ccccc21
|
C31H30N4O2 490.607000 |
NBGSZUYCBAADOP-ZZMOGURHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375368; PubChem:CID58486356
|
Local ready
Direct docking supported
|
|
E3L016708
BDB016708
|
BDBM375371
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(/C=C/c4ccc(N5CCNCC5)cc4)n[nH]c3c2)c2ccccc21
|
C30H29N5O 475.596000 |
AUTQBYZMUYBUBY-QZABULEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375371; PubChem:CID58486326
|
Local ready
Direct docking supported
|
|
E3L016709
BDB016709
|
BDBM375377
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(/C=C/c4ccc(CN5CCCCC5)cc4)n[nH]c3c2)c2ccccc21
|
C32H32N4O 488.635000 |
SQKCYDHDGHQXPI-UHXYVBAUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375377; PubChem:CID58486262
|
Local ready
Direct docking supported
|
|
E3L016710
BDB016710
|
BDBM375379
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C(C)C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H33N5O2 507.638000 |
CNRJLPBVPJZPSG-HVNZXBJASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375379; PubChem:CID58486353
|
Local ready
Direct docking supported
|
|
E3L016711
BDB016711
|
US9907800, Example A98
CCN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(OC)cc56)ccc34)cc2)CC1
|
C30H31N5O2 493.611000 |
DTPIGHJZEZDEAO-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375381; PubChem:CID58486223
|
Local ready
Direct docking supported
|
|
E3L016712
BDB016712
|
BDBM375384
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c1)C(=O)N2C
|
C29H29N5O2 479.584000 |
RBHQWTXCZCCKEG-OUTSHDOLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375384; PubChem:CID58486305
|
Local ready
Direct docking supported
|
|
E3L016713
BDB016713
|
US9907800, Example A105
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)s4)n[nH]c3c1)C(=O)N2
|
C29H28N4O3S 512.635000 |
OZPUYQLWBWSYAD-DNQIZRRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375388; PubChem:CID58486159
|
Local ready
Direct docking supported
|
|
E3L016714
BDB016714
|
US9907800, Example A107
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc5nccn5c4)n[nH]c3c1)C(=O)N2
|
C25H19N5O2 421.460000 |
UGPNYQUMEDSOCP-DFBJGRDBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375390; PubChem:CID58486349
|
Local ready
Direct docking supported
|
|
E3L016715
BDB016715
|
BDBM375391
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(OCCn5ccnc5)cc4)n[nH]c3c1)C(=O)N2
|
C29H25N5O3 491.551000 |
AMDCXEWWHWJAHH-OUTSHDOLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375391; PubChem:CID58486382
|
Local ready
Direct docking supported
|
|
E3L016716
BDB016716
|
BDBM375394
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccncc4)n[nH]c3c1)C(=O)N2
|
C25H20N4O2 408.461000 |
CXHSKKQIJGAPAE-XUKUOEHWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375394; PubChem:CID58486192
|
Local ready
Direct docking supported
|
|
E3L016717
BDB016717
|
BDBM375395
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CC[C@@H](F)C5)cc4)n[nH]c3c1)C(=O)N2
|
C31H29FN4O2 508.597000 |
YXVBNXVXKLCATI-HXDDMUQESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375395; PubChem:CID58486264
|
Local ready
Direct docking supported
|
|
E3L016718
BDB016718
|
BDBM375396
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc4c(c3)CNCCO4)n[nH]c2c1
|
C28H24N4O2 448.526000 |
QOBNTMOMMBQCTC-LUVKAMIYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375396; PubChem:CID58486386
|
Local ready
Direct docking supported
|
|
E3L016719
BDB016719
|
BDBM375399
CN1C(=O)[C@@]2(C[C@H]2c2ccc3c(/C=C/c4ccc(CN5CCCC5)cc4)n[nH]c3c2)c2ccccc21
|
C31H30N4O 474.608000 |
XKQRWNNWPQKCOS-CUQMHDSBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375399; PubChem:CID58486319
|
Local ready
Direct docking supported
|
|
E3L016720
BDB016720
|
BDBM375400
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3cc(F)c(CN4CCOCC4)c(F)c3)n[nH]c2c1
|
C30H26F2N4O2 512.560000 |
JSWIDIPTJPHKOJ-LTBFFSAQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375400; PubChem:CID58486309
|
Local ready
Direct docking supported
|