| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052401
BDB052401
|
BDBM50318074
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3N)ncc1CC2
|
C17H17N7O 335.371000 |
DPROZSHCTFNYSW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318074; PubChem:CID46887187
|
Local ready
Direct docking supported
|
|
E3L052402
BDB052402
|
BDBM50318075
CCOC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3)nc1-2
|
C19H19N5O2 349.394000 |
XCLOVJZYWDYYRT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318075; PubChem:CID44232942
|
Local ready
Direct docking supported
|
|
E3L052403
BDB052403
|
BDBM50318076
CSc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C18H18N6OS 366.450000 |
UNZVQIJLQQYQLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318076; PubChem:CID46887069
|
Local ready
Direct docking supported
|
|
E3L052404
BDB052404
|
BDBM50318077
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(F)(F)F)ncc1CC2
|
C18H15F3N6O 388.353000 |
URBLFMVEDFWKGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318077; PubChem:CID46886877
|
Local ready
Direct docking supported
|
|
E3L052405
BDB052405
|
BDBM50318078
CC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C19H18N6O2 362.393000 |
NUQUWKXNHFMEAJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318078; PubChem:CID46886957
|
Local ready
Direct docking supported
|
|
E3L052406
BDB052406
|
BDBM50318079
CC(=O)c1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C24H28N8O2 460.542000 |
ZVEYLHVRYMGPSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318079; PubChem:CID24992864
|
Local ready
Direct docking supported
|
|
E3L052407
BDB052407
|
BDBM50318080
Cn1nc(C(=O)O)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C17H15N5O2 321.340000 |
ZOBRPBVIEUWYJR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318080; PubChem:CID44129603
|
Local ready
Direct docking supported
|
|
E3L052408
BDB052408
|
BDBM50318081
COc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C18H18N6O2 350.382000 |
XEMJTISGDXHELX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318081; PubChem:CID46886960
|
Local ready
Direct docking supported
|
|
E3L052409
BDB052409
|
BDBM50318082
CC(C)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C20H22N6O 362.437000 |
ANAAVHLLZPPWCU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318082; PubChem:CID46887071
|
Local ready
Direct docking supported
|
|
E3L052410
BDB052410
|
BDBM50318083
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Nc3ccccc3)ncc1CC2
|
C23H21N7O 411.469000 |
JXRYPFSBKNWJBW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318083; PubChem:CID46887138
|
Local ready
Direct docking supported
|
|
E3L052411
BDB052411
|
BDBM50318084
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Cc3ccccc3)ncc1CC2
|
C24H22N6O 410.481000 |
HHYUCVASUIGARF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318084; PubChem:CID46887137
|
Local ready
Direct docking supported
|
|
E3L052412
BDB052412
|
BDBM50318085
Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C18H18N6O 334.383000 |
OXPLZKSKLWBEIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318085; PubChem:CID24992861
|
Local ready
Direct docking supported
|
|
E3L052413
BDB052413
|
BDBM50318087
NC(=O)c1[nH]nc2c1CCc1cnc(Nc3ccccc3)nc1-2
|
C16H14N6O 306.329000 |
ZYQXOZKYXADECC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318087; PubChem:CID46223564
|
Local ready
Direct docking supported
|
|
E3L052414
BDB052414
|
BDBM50318088
CC(=O)c1cccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)c1
|
C19H18N6O2 362.393000 |
OMOOZNJIAYMBSP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318088; PubChem:CID46886958
|
Local ready
Direct docking supported
|
|
E3L052415
BDB052415
|
BDBM50318089
CC(=O)c1ccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
|
C19H18N6O2 362.393000 |
XWQNZYCWLMEIBB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318089; PubChem:CID46886959
|
Local ready
Direct docking supported
|
|
E3L052416
BDB052416
|
BDBM50318090
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccc(C(F)(F)F)cc3)ncc1CC2
|
C18H15F3N6O 388.353000 |
HJKBVLZABNNRFO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318090; PubChem:CID46886956
|
Local ready
Direct docking supported
|
|
E3L052417
BDB052417
|
BDBM50318091
COc1ccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
|
C18H18N6O2 350.382000 |
XCYGTFKOOGNUMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318091; PubChem:CID46887030
|
Local ready
Direct docking supported
|
|
E3L052418
BDB052418
|
BDBM50318092
NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2
|
C18H15F3N6O 388.353000 |
HWASNOYCCGHVQF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318092; PubChem:CID46223562
|
Local ready
Direct docking supported
|
|
E3L052419
BDB052419
|
BDBM50318093
COc1cccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)c1
|
C18H18N6O2 350.382000 |
WPIFRGDKXSWKPX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318093; PubChem:CID46887029
|
Local ready
Direct docking supported
|
|
E3L052420
BDB052420
|
BDBM50318094
Cn1nc(C(N)=O)c2c1-c1nc(Nc3cccc([N+](=O)[O-])c3)ncc1CC2
|
C17H15N7O3 365.353000 |
PWURWOZBUAQZAZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318094; PubChem:CID46887032
|
Local ready
Direct docking supported
|