| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003781
BDB003781
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 26
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)Oc3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C26H27F3N6O2 512.536000 |
HTOAYVQONNPMFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86620; PubChem:CID57340674
|
Local ready
Direct docking supported
|
|
E3L003782
BDB003782
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 27
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)Sc3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C26H27F3N6OS 528.604000 |
SAIJXCASEBDSII-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86621; PubChem:CID57340675
|
Local ready
Direct docking supported
|
|
E3L003783
BDB003783
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 28
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C)c3c(C)cccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C28H32F3N7O 539.606000 |
GLSXPVFPHBFULR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86622; PubChem:CID57340676
|
Local ready
Direct docking supported
|
|
E3L003784
BDB003784
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 29
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C)c3c(F)cccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C27H29F4N7O 543.569000 |
KTUZOTUSWXJDIS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86623; PubChem:CID57340677
|
Local ready
Direct docking supported
|
|
E3L003785
BDB003785
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 30
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C)c3cc(C)ccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C28H32F3N7O 539.606000 |
NESZTHUOBRFWLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86624; PubChem:CID57340678
|
Local ready
Direct docking supported
|
|
E3L003786
BDB003786
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 31
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C)c3cc(F)ccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C27H29F4N7O 543.569000 |
RAJZNJVNZIBJJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86625; PubChem:CID57340679
|
Local ready
Direct docking supported
|
|
E3L003787
BDB003787
|
Jnk-IN-7
CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)c1
|
C28H27N7O2 493.571000 |
RADRIIWGHYFWPP-WEVVVXLNSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM86632; PubChem:CID57340685
|
Local ready
Direct docking supported
|
|
E3L003788
BDB003788
|
TS-011
ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
|
C11H14ClN3O2 255.705000 |
ZTXADXBIGLLOFX-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM86694; PubChem:CID9816527
|
Local ready
Direct docking supported
|
|
E3L003789
BDB003789
|
4-{[4-(Phenylamino)pyrimidin-2-Yl]amino}benzoic Acid
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3)n2)cc1
|
C17H14N4O2 306.325000 |
BUKMSYYNNHEANR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87047; PubChem:CID56587958
|
Local ready
Direct docking supported
|
|
E3L003790
BDB003790
|
BDBM87048
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)cc1
|
C18H14N4O4 350.334000 |
UIAQHDUGAOFVJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87048; PubChem:CID698343
|
Local ready
Direct docking supported
|
|
E3L003791
BDB003791
|
Bisanilinopyrimidine inhibitor, 3
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Cc3ccccc3)n2)cc1
|
C24H20N4O2 396.450000 |
SEYJAOXPGQWHKZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87049; PubChem:CID91899096
|
Local ready
Direct docking supported
|
|
E3L003792
BDB003792
|
BDBM87050
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1
|
C18H13F3N4O2 374.322000 |
QFNWNXOHCUAEBM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87050; PubChem:CID56587963
|
Local ready
Direct docking supported
|
|
E3L003793
BDB003793
|
BDBM87051
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3OC(F)(F)F)n2)cc1
|
C18H13F3N4O3 390.321000 |
VKIURNGMKFWIQX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87051; PubChem:CID56587968
|
Local ready
Direct docking supported
|
|
E3L003794
BDB003794
|
BDBM87052
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3F)n2)cc1
|
C17H13FN4O2 324.315000 |
DSRXYFSONVBAKS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87052; PubChem:CID56587961
|
Local ready
Direct docking supported
|
|
E3L003795
BDB003795
|
BDBM87053
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C17H13ClN4O2 340.770000 |
BAZFHAGOCKJYHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87053; PubChem:CID56587959
|
Local ready
Direct docking supported
|
|
E3L003796
BDB003796
|
BDBM87054
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1
|
C17H13BrN4O2 385.221000 |
NCXZWZMYZVWHNN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87054; PubChem:CID56587964
|
Local ready
Direct docking supported
|
|
E3L003797
BDB003797
|
BDBM87055
N#Cc1ccccc1Nc1ccnc(Nc2ccc(C(=O)O)cc2)n1
|
C18H13N5O2 331.335000 |
MEKVNSMGVQRYJI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM87055; PubChem:CID56587965
|
Local ready
Direct docking supported
|
|
E3L003798
BDB003798
|
BDBM87350
CC(C)(C)OC(=O)NCc1cn(C2CCCCNC2=O)nn1
|
C14H23N5O3 309.370000 |
JTHUUBDVROYBNW-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM87350; PubChem:CID176081787
|
Local ready
Direct docking supported
|
|
E3L003799
BDB003799
|
US20250388593, Example 2
CC(C)(C)OC(=O)N1CCC(c2cn(C3CCCC(=O)NC3=O)nn2)CC1
|
C18H27N5O4 377.445000 |
SINYDHDOMXWBAQ-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM87352; PubChem:CID177778569
|
Local ready
Direct docking supported
|
|
E3L003800
BDB003800
|
US20250388593, Example 3
CC(C)(C)OC(=O)Nc1ccc(-c2cn(C3CCCC(=O)NC3=O)nn2)cc1
|
C19H23N5O4 385.424000 |
SRHUMUVTJMKTDN-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM87353; PubChem:CID177778600
|
Local ready
Direct docking supported
|