| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051721
BDB051721
|
BDBM50307529
NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C17H19F3N6O 380.374000 |
RMWMYMKOIOFLED-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307529; PubChem:CID45139614
|
Local ready
Direct docking supported
|
|
E3L051722
BDB051722
|
BDBM50307530
CN1CCC(n2nc(C(N)=O)c3c2-c2nc(NC4CCCC4)ncc2CC3)CC1
|
C21H29N7O 395.511000 |
ROSDVEJRVQTUEV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307530; PubChem:CID45139794
|
Local ready
Direct docking supported
|
|
E3L051723
BDB051723
|
BDBM50307531
CNC(=O)c1nn(C2CCN(C)CC2)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C22H31N7O 409.538000 |
RANSINIOMGOPCF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307531; PubChem:CID45139795
|
Local ready
Direct docking supported
|
|
E3L051724
BDB051724
|
BDBM50307532
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCCCC3)nc1-2
|
C18H24N6O 340.431000 |
SZVPDWROAQYJHW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307532; PubChem:CID45139797
|
Local ready
Direct docking supported
|
|
E3L051725
BDB051725
|
BDBM50307533
CN1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1
|
C17H23N7O 341.419000 |
VEQZWOXFCXFUCF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307533; PubChem:CID45139798
|
Local ready
Direct docking supported
|
|
E3L051726
BDB051726
|
BDBM50307534
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C)CC3)nc1-2
|
C18H25N7O 355.446000 |
JTBKKRJVWPHUOO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307534; PubChem:CID45139799
|
Local ready
Direct docking supported
|
|
E3L051727
BDB051727
|
BDBM50307535
CC(=O)N1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1
|
C18H23N7O2 369.429000 |
CQWBHMMWZICZRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307535; PubChem:CID45139989
|
Local ready
Direct docking supported
|
|
E3L051728
BDB051728
|
BDBM50307536
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(C)=O)CC3)nc1-2
|
C19H25N7O2 383.456000 |
AOJLBKYLAVRMQT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307536; PubChem:CID45139990
|
Local ready
Direct docking supported
|
|
E3L051729
BDB051729
|
BDBM50307537
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2
|
C24H27N7O2 445.527000 |
TZBRTWANJDQXNF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307537; PubChem:CID45139992
|
Local ready
Direct docking supported
|
|
E3L051730
BDB051730
|
BDBM50307538
NC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C21H23N7O3S 453.528000 |
DFBJIWSACMQONP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307538; PubChem:CID45139612
|
Local ready
Direct docking supported
|
|
E3L051731
BDB051731
|
BDBM50307539
CC(=O)Nc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
|
C20H21N7O2 391.435000 |
ZUSSYTUFZXQWGO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307539; PubChem:CID45141802
|
Local ready
Direct docking supported
|
|
E3L051732
BDB051732
|
BDBM50307540
Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccc(S(C)(=O)=O)cc3)ncc1CC2
|
C19H20N6O3S 412.475000 |
RBAODIAUJYQMMC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307540; PubChem:CID45142011
|
Local ready
Direct docking supported
|
|
E3L051733
BDB051733
|
BDBM50307541
Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CC2
|
C18H18N6O 334.383000 |
XZZOVHIAPZXMHM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307541; PubChem:CID45141605
|
Local ready
Direct docking supported
|
|
E3L051734
BDB051734
|
BDBM50307542
COc1cccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)c1
|
C19H20N6O2 364.409000 |
OSWILUKXEWYOHP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307542; PubChem:CID45141799
|
Local ready
Direct docking supported
|
|
E3L051735
BDB051735
|
BDBM50307543
Cn1nc(C(N)=O)c2c1-c1nc(NC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)ncc1CC2
|
C23H32N8O4S 516.628000 |
NRGPURJFHVVJFI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307543; PubChem:CID46233286
|
Local ready
Direct docking supported
|
|
E3L051736
BDB051736
|
BDBM50307544
CN1CCN(c2ccc(CNc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)cc2)CC1
|
C23H28N8O 432.532000 |
ZSLYROBAKCGLGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307544; PubChem:CID45142013
|
Local ready
Direct docking supported
|
|
E3L051737
BDB051737
|
BDBM50307545
Cn1nc(C(N)=O)c2c1-c1nc(NC3CCN(C(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)CC3)ncc1CC2
|
C28H34N8O4S 578.699000 |
KMVQBPWEFOSEIR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307545; PubChem:CID46233288
|
Local ready
Direct docking supported
|
|
E3L051738
BDB051738
|
BDBM50307546
CCOC(=O)N1CCC(C(=O)N2CCC(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)CC2)CC1
|
C25H34N8O4 510.599000 |
RRFFYQAIEDMMQD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307546; PubChem:CID46233220
|
Local ready
Direct docking supported
|
|
E3L051739
BDB051739
|
BDBM50307547
COc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
|
C19H20N6O2 364.409000 |
HWFOUEQKCWVCBH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307547; PubChem:CID45141800
|
Local ready
Direct docking supported
|
|
E3L051740
BDB051740
|
BDBM50307548
Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccc(Br)cc3)ncc1CC2
|
C18H17BrN6O 413.279000 |
TVSSLJHFDCVIRP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307548; PubChem:CID45141801
|
Local ready
Direct docking supported
|