| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056021
BDB056021
|
BDBM50434618
O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1)Nc1ccc(F)cc1
|
C30H31FN6O4 558.614000 |
IIWNWGTVQWYQGV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434618; PubChem:CID71659101
|
Local ready
Direct docking supported
|
|
E3L056022
BDB056022
|
BDBM50434619
CN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)Nc5ccccc5)cc4)n[nH]3)cc2)CC1
|
C30H33N7O2 523.641000 |
RPUVCLOEZQLZPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434619; PubChem:CID71659100
|
Local ready
Direct docking supported
|
|
E3L056023
BDB056023
|
BDBM50434620
O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1)Nc1ccccc1
|
C30H32N6O4 540.624000 |
KABXDGRHTDMABC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434620; PubChem:CID70654558
|
Local ready
Direct docking supported
|
|
E3L056024
BDB056024
|
BDBM50434621
Cc1cc(-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1
|
C31H38N8O3 570.698000 |
AEOFEGDYORZHFE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434621; PubChem:CID60198892
|
Local ready
Direct docking supported
|
|
E3L056025
BDB056025
|
BDBM50434622
Cc1cc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1
|
C31H37N7O5 587.681000 |
TXWGCUMZODJNKF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434622; PubChem:CID73354960
|
Local ready
Direct docking supported
|
|
E3L056026
BDB056026
|
BDBM50434623
CN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)n[nH]3)cc2)CC1
|
C30H36N8O3 556.671000 |
TULDPDLFHDYJMU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434623; PubChem:CID70654830
|
Local ready
Direct docking supported
|
|
E3L056027
BDB056027
|
BDBM50434624
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)[nH]n3)cc2)no1
|
C30H35N7O5 573.654000 |
IJYDTCORQZBRMY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434624; PubChem:CID70654623
|
Local ready
Direct docking supported
|
|
E3L056028
BDB056028
|
BDBM50434625
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(OCCN5CCCC5)cc4)[nH]n3)cc2)no1
|
C30H35N7O4 557.655000 |
GUEYLTKEGFGDCH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434625; PubChem:CID70655062
|
Local ready
Direct docking supported
|
|
E3L056029
BDB056029
|
BDBM50434626
Cc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)[nH]n3)cc2Cl)no1
|
C26H27ClN8O3 535.008000 |
MCTMTSDANQESNV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434626; PubChem:CID70660523
|
Local ready
Direct docking supported
|
|
E3L056030
BDB056030
|
BDBM50434627
Cc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)[nH]n3)cc2C)no1
|
C27H30N8O3 514.590000 |
MZOIOQHNRFBXRZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434627; PubChem:CID70661441
|
Local ready
Direct docking supported
|
|
E3L056031
BDB056031
|
BDBM50434628
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5cc(C(C)(C)C)on5)cc4)n[nH]3)cc2)CC1
|
C29H34N8O3 542.644000 |
FVAPHAVJOTYNMT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434628; PubChem:CID70654537
|
Local ready
Direct docking supported
|
|
E3L056032
BDB056032
|
BDBM50434629
Cc1cc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)[nH]n3)cc2)no1
|
C26H28N8O3 500.563000 |
LTGMTZWRANBXGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434629; PubChem:CID70660513
|
Local ready
Direct docking supported
|
|
E3L056033
BDB056033
|
BDBM50434630
Cc1cnc(NC(=O)Nc2ccc(-c3cc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)[nH]n3)cc2)s1
|
C26H28N8O2S 516.631000 |
DGTDBYGGVLUJOO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434630; PubChem:CID71658864
|
Local ready
Direct docking supported
|
|
E3L056034
BDB056034
|
BDBM50434631
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5cccnc5)cc4)n[nH]3)cc2)CC1
|
C27H28N8O2 496.575000 |
FDDALZCZBKBAAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434631; PubChem:CID71658863
|
Local ready
Direct docking supported
|
|
E3L056035
BDB056035
|
BDBM50434632
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Nc5ccccn5)cc4)n[nH]3)cc2)CC1
|
C27H28N8O2 496.575000 |
SDKZHBFUPPRZJU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434632; PubChem:CID70654805
|
Local ready
Direct docking supported
|
|
E3L056036
BDB056036
|
BDBM50434633
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)N5CCCC5)cc4)n[nH]3)cc2)CC1
|
C26H31N7O2 473.581000 |
OOOZWRINELDAHO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434633; PubChem:CID71658743
|
Local ready
Direct docking supported
|
|
E3L056037
BDB056037
|
BDBM50434634
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)NC5CC5)cc4)n[nH]3)cc2)CC1
|
C25H29N7O2 459.554000 |
XOEGJJMMZVWIBH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50434634; PubChem:CID71658742
|
Local ready
Direct docking supported
|
|
E3L056038
BDB056038
|
BDBM50435018
Fc1cc(F)cc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)c1
|
C23H16F2N2O3S 438.455000 |
IUEJEHPLFBVXJH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435018; PubChem:CID71212517
|
Local ready
Direct docking supported
|
|
E3L056039
BDB056039
|
BDBM50435019
COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)c(C#N)c1
|
C25H19N3O4S 457.511000 |
SWZAXOLMRPWGRZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435019; PubChem:CID71212446
|
Local ready
Direct docking supported
|
|
E3L056040
BDB056040
|
BDBM50435020
COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cc1
|
C24H20N2O4S 432.501000 |
ZYDQWWRARYHYHC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435020; PubChem:CID71212395
|
Local ready
Direct docking supported
|