| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045061
BDB045061
|
BDBM50059431
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CNC1)C2c1ccc(Sc2nc3cccc(Cl)c3[nH]2)o1
|
C24H20ClN5O4S 509.975000 |
WFNBONVEEIGNAM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059431; PubChem:CID118725528
|
Local ready
Direct docking supported
|
|
E3L045062
BDB045062
|
BDBM50059432
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CN(C(=O)CN)C1)[C@H]2c1ccc(Sc2nc3c(F)cccc3[nH]2)o1
|
C26H23FN6O5S 550.572000 |
AHSNQEQSNWQRDX-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50059432
|
Local ready
Direct docking supported
|
|
E3L045063
BDB045063
|
BDBM50059433
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CN(C(=O)CN)C1)[C@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C26H24N6O5S 532.582000 |
JIKLDOKHOPBGQI-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059433; PubChem:CID118725525
|
Local ready
Direct docking supported
|
|
E3L045064
BDB045064
|
BDBM50059435
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1
|
C27H24N4O4 468.513000 |
YXMQIWJYPNBZJS-QFIPXVFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059435; PubChem:CID49787166
|
Local ready
Direct docking supported
|
|
E3L045065
BDB045065
|
BDBM50059436
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1cc(Sc2nc3ccccc3[nH]2)cs1
|
C25H22N4O3S2 490.610000 |
SSERHUGYONZSKK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059436; PubChem:CID118725533
|
Local ready
Direct docking supported
|
|
E3L045066
BDB045066
|
BDBM50059437
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1cnc(Sc2nc3ccccc3[nH]2)s1
|
C24H21N5O3S2 491.598000 |
UQHJVWSJYLZFGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059437; PubChem:CID59825670
|
Local ready
Direct docking supported
|
|
E3L045067
BDB045067
|
BDBM50059438
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccccc3[nH]2)s1
|
C25H22N4O3S2 490.610000 |
GQZRBFUHQLILSJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059438; PubChem:CID118725532
|
Local ready
Direct docking supported
|
|
E3L045068
BDB045068
|
BDBM50059439
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CN(Cc3ccccc3)C1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C31H27N5O4S 565.655000 |
NYZJWCNLQGNIQE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059439; PubChem:CID118725531
|
Local ready
Direct docking supported
|
|
E3L045069
BDB045069
|
BDBM50059440
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CN(C(=O)OC(C)(C)C)C1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C29H29N5O6S 575.647000 |
VKVBESYYODLWDZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059440; PubChem:CID118725530
|
Local ready
Direct docking supported
|
|
E3L045070
BDB045070
|
BDBM50059441
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C27H26N4O4S 502.596000 |
PIXOXZZUVRNOQK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059441; PubChem:CID12000661
|
Local ready
Direct docking supported
|
|
E3L045071
BDB045071
|
BDBM50059442
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C25H22N4O4S 474.542000 |
QNOOVTZVMOOSAW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059442; PubChem:CID59825673
|
Local ready
Direct docking supported
|
|
E3L045072
BDB045072
|
BDBM50059443
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CNC1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C24H21N5O4S 475.530000 |
PEXOYGNRWYUDOM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059443; PubChem:CID59825742
|
Local ready
Direct docking supported
|
|
E3L045073
BDB045073
|
BDBM50059444
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3cc(F)ccc3[nH]2)o1
|
C25H21FN4O4S 492.532000 |
BPCDCTRGBDOCQS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059444; PubChem:CID59825756
|
Local ready
Direct docking supported
|
|
E3L045074
BDB045074
|
BDBM50059445
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3cccc(F)c3[nH]2)o1
|
C25H21FN4O4S 492.532000 |
DQXCRLJTGIDAES-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059445; PubChem:CID118725519
|
Local ready
Direct docking supported
|
|
E3L045075
BDB045075
|
BDBM50059446
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3c(F)cc(F)cc3[nH]2)o1
|
C25H20F2N4O4S 510.522000 |
GNSDDKAAHUFOKJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059446; PubChem:CID59825774
|
Local ready
Direct docking supported
|
|
E3L045076
BDB045076
|
BDBM50059447
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3cc(F)c(F)cc3[nH]2)o1
|
C25H20F2N4O4S 510.522000 |
AQQRFOITUMWTQP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059447; PubChem:CID59825704
|
Local ready
Direct docking supported
|
|
E3L045077
BDB045077
|
BDBM50059448
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccc(F)c(F)c3[nH]2)o1
|
C25H20F2N4O4S 510.522000 |
HIJNIPAQZUMXON-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059448; PubChem:CID59825775
|
Local ready
Direct docking supported
|
|
E3L045078
BDB045078
|
BDBM50059449
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3c(F)c(F)c(F)cc3[nH]2)o1
|
C25H19F3N4O4S 528.512000 |
RFCYJLIYROYRBL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059449; PubChem:CID59825681
|
Local ready
Direct docking supported
|
|
E3L045079
BDB045079
|
BDBM50059450
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3cccc(Cl)c3[nH]2)o1
|
C25H21ClN4O4S 508.987000 |
KNOIFPSQNXJZDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059450; PubChem:CID118725520
|
Local ready
Direct docking supported
|
|
E3L045080
BDB045080
|
BDBM50059451
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3c(O)cccc3[nH]2)o1
|
C25H22N4O5S 490.541000 |
KPFKBJLOCNHHJC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059451; PubChem:CID118725521
|
Local ready
Direct docking supported
|