| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053521
BDB053521
|
BDBM50349021
Cc1nc(NCCN2CCOCC2)cc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)n[nH]2)n1
|
C26H30N8O3S 534.646000 |
WHZMCJZHYNRDAM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349021; PubChem:CID56676922
|
Local ready
Direct docking supported
|
|
E3L053522
BDB053522
|
BDBM50349022
Cc1nc(NCCCN2CCOCC2)cc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)n[nH]2)n1
|
C27H32N8O3S 548.673000 |
FMECAVUOMUCKKM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349022; PubChem:CID56659759
|
Local ready
Direct docking supported
|
|
E3L053523
BDB053523
|
BDBM50349023
O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1)c1ccc(CN2CCOCC2)cc1
|
C27H27N5O4S 517.611000 |
PTGDNBWLPMBSTB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349023; PubChem:CID56666717
|
Local ready
Direct docking supported
|
|
E3L053524
BDB053524
|
BDBM50349027
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)n[nH]3)cc2)CC1
|
C27H28N6O3S 516.627000 |
TWLIQGHEQROHMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349027; PubChem:CID56680303
|
Local ready
Direct docking supported
|
|
E3L053525
BDB053525
|
BDBM50349090
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@H]4CN4CCCC4)cc3OC)nc1-2
|
C38H46N8O3 662.839000 |
LTKUHPWNVCRTSA-NDEPHWFRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349090; PubChem:CID44555518
|
Local ready
Direct docking supported
|
|
E3L053526
BDB053526
|
BDBM50349091
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@H]4CN4CCCC4)cc3OC(F)(F)F)nc1-2
|
C38H43F3N8O3 716.809000 |
WZZWJWWPQJVGAJ-MHZLTWQESA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50349091
|
Local ready
Direct docking supported
|
|
E3L053527
BDB053527
|
BDBM50349092
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC)nc1-2
|
C36H44N8O3 636.801000 |
COJCXGYVLBGQIH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349092; PubChem:CID44555517
|
Local ready
Direct docking supported
|
|
E3L053528
BDB053528
|
BDBM50349093
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC(N(C)C)CC4)cc3OC(F)(F)F)nc1-2
|
C36H41F3N8O3 690.771000 |
MWTWLPODPMOIIN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349093; PubChem:CID56663194
|
Local ready
Direct docking supported
|
|
E3L053529
BDB053529
|
BDBM50349094
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3OC)nc1-2
|
C35H42N8O3 622.774000 |
JRZGFHZNTXYGPL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349094; PubChem:CID44555820
|
Local ready
Direct docking supported
|
|
E3L053530
BDB053530
|
BDBM50349095
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCCN(C)CC4)cc3OC(F)(F)F)nc1-2
|
C35H39F3N8O3 676.744000 |
LTJCDVIZSPUSDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349095; PubChem:CID53363389
|
Local ready
Direct docking supported
|
|
E3L053531
BDB053531
|
BDBM50349096
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3)nc1-2
|
C27H28N6O 452.562000 |
LHQIHZSYSNEJIN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349096; PubChem:CID56666592
|
Local ready
Direct docking supported
|
|
E3L053532
BDB053532
|
BDBM50349097
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3OC)nc1-2
|
C28H30N6O2 482.588000 |
FRHNISWTMRBFQX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349097; PubChem:CID44555761
|
Local ready
Direct docking supported
|
|
E3L053533
BDB053533
|
BDBM50349098
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc1-2
|
C28H27F3N6O2 536.558000 |
ONVBPMGFFPXAMJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349098; PubChem:CID53363307
|
Local ready
Direct docking supported
|
|
E3L053534
BDB053534
|
BDBM50349099
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(N)=O)cc3OC)nc1-2
|
C29H31N7O3 525.613000 |
ZWRLLBAFCKACAL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349099; PubChem:CID44556214
|
Local ready
Direct docking supported
|
|
E3L053535
BDB053535
|
BDBM50349100
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(N)=O)cc3OC(F)(F)F)nc1-2
|
C29H28F3N7O3 579.583000 |
BJCDONGBHGLZHP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349100; PubChem:CID56676834
|
Local ready
Direct docking supported
|
|
E3L053536
BDB053536
|
BDBM50349101
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2
|
C35H42N8O3 622.774000 |
WGZYFFJOGZFXBF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349101; PubChem:CID44556163
|
Local ready
Direct docking supported
|
|
E3L053537
BDB053537
|
Nms-P715
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC(F)(F)F)nc1-2
|
C35H39F3N8O3 676.744000 |
JFOAJUGFHDCBJJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349102; PubChem:CID44556162
|
Local ready
Direct docking supported
|
|
E3L053538
BDB053538
|
BDBM50349103
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NCCN(C)C)cc3OC)nc1-2
|
C33H40N8O3 596.736000 |
ATKPMPVOTNGCIB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349103; PubChem:CID44556329
|
Local ready
Direct docking supported
|
|
E3L053539
BDB053539
|
BDBM50349104
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)NCCN(C)C)cc3OC(F)(F)F)nc1-2
|
C33H37F3N8O3 650.706000 |
MJJRBRKTAAJGIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349104; PubChem:CID56676835
|
Local ready
Direct docking supported
|
|
E3L053540
BDB053540
|
BDBM50349105
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@@H]4CN4CCCC4)cc3OC)nc1-2
|
C38H46N8O3 662.839000 |
LTKUHPWNVCRTSA-MUUNZHRXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349105; PubChem:CID44555519
|
Local ready
Direct docking supported
|