| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005161
BDB005161
|
BDBM116992
COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cc(C#N)cc34)c2)cc1F
|
C26H21FN6O3 484.491000 |
LEHCYRJRVRAZPB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116992; PubChem:CID66763367
|
Local ready
Direct docking supported
|
|
E3L005162
BDB005162
|
BDBM117000
CC(C)n1cc(-c2cc(C(N)=O)c3ncnc(N[C@H]4CCCNC4)c3c2)cn1
|
C20H25N7O 379.468000 |
AKBDTDXHGVXZLY-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM117000; PubChem:CID66764105
|
Local ready
Direct docking supported
|
|
E3L005163
BDB005163
|
BDBM117001
NC(=O)c1cc(C2=CCC(C(N)=O)C=C2)cc2c(N[C@H]3CCCNC3)ncnc12
|
C21H24N6O2 392.463000 |
MKSQRGQNPZBVPP-WUJWULDRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM117001; PubChem:CID68079086
|
Local ready
Direct docking supported
|
|
E3L005164
BDB005164
|
BDBM117003
NC(=O)c1cccc(-c2cc(C(N)=O)c3ncnc(N[C@H]4CCCNC4)c3c2)c1
|
C21H22N6O2 390.447000 |
YIGOVOVHNMDCGU-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM117003; PubChem:CID66764003
|
Local ready
Direct docking supported
|
|
E3L005165
BDB005165
|
BDBM117014
COc1ccc(C(=O)N(C)c2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C25H23N5O3 441.491000 |
WEGBYDBCGCQGMC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM117014; PubChem:CID66764075
|
Local ready
Direct docking supported
|
|
E3L005166
BDB005166
|
BDBM117015
NC(=O)c1cccc2c(NC(CCN3CCOCC3)c3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12
|
C29H32N8O3 540.628000 |
OIRNDMQZBSCGHC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM117015; PubChem:CID66763762
|
Local ready
Direct docking supported
|
|
E3L005167
BDB005167
|
BDBM119710
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C27H32Cl2FN3O4 552.474000 |
UNXQGBMZYKHQCO-UQBRPQJYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119710; PubChem:CID69498012
|
Local ready
Direct docking supported
|
|
E3L005168
BDB005168
|
BDBM119711
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32Cl2FN3O3 548.486000 |
MZBOZBMARIQZGX-YPZCAFDDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119711
|
Local ready
Direct docking supported
|
|
E3L005169
BDB005169
|
BDBM119712
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32Cl2FN3O3 548.486000 |
MZBOZBMARIQZGX-FKDITPLCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119712
|
Local ready
Direct docking supported
|
|
E3L005170
BDB005170
|
BDBM119713
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C29H34Cl2FN3O3 562.513000 |
IDKAKZRYYDCJDU-YJRDPZTCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119713
|
Local ready
Direct docking supported
|
|
E3L005171
BDB005171
|
BDBM119714
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12
|
C29H33ClF3N3O3 564.048000 |
CPVLFAPAIXRGNV-FJEPLBHZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119714; PubChem:CID52938609
|
Local ready
Direct docking supported
|
|
E3L005172
BDB005172
|
BDBM119715
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(F)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32ClF2N3O3 532.031000 |
CUMRPCQMSXHYEE-YPZCAFDDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119715
|
Local ready
Direct docking supported
|
|
E3L005173
BDB005173
|
BDBM119716
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)ccc12
|
C29H34ClF2N3O3 546.058000 |
WOBLKIIJUYHOLE-YJRDPZTCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119716; PubChem:CID52938610
|
Local ready
Direct docking supported
|
|
E3L005174
BDB005174
|
BDBM119717
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)ccc12
|
C28H32ClF2N3O3 532.031000 |
TZQDPFTZXGEZHJ-YPZCAFDDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119717
|
Local ready
Direct docking supported
|
|
E3L005175
BDB005175
|
BDBM119718
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C28H33Cl2N3O3 530.496000 |
DFNKYRCFAIHHQB-INPVNPLUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119718
|
Local ready
Direct docking supported
|
|
E3L005176
BDB005176
|
BDBM119719
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(F)c(F)cc12
|
C28H32ClF2N3O3 532.031000 |
AIEZQFQSOAPLSA-GLILEQIGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119719
|
Local ready
Direct docking supported
|
|
E3L005177
BDB005177
|
BDBM119720
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(F)c2F)[C@@]12C(=O)Nc1c2ccc(Cl)c1F
|
C28H31ClF3N3O3 550.021000 |
SXAAXEGAEPWLGA-YPIBLMGJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119720
|
Local ready
Direct docking supported
|
|
E3L005178
BDB005178
|
BDBM119721
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(F)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C29H34ClF2N3O3 546.058000 |
YRDPNDOUYALHLI-YJRDPZTCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119721; PubChem:CID52938740
|
Local ready
Direct docking supported
|
|
E3L005179
BDB005179
|
BDBM119722
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12
|
C29H33ClF3N3O3 564.048000 |
CPVLFAPAIXRGNV-FJEPLBHZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119722; PubChem:CID52938609
|
Local ready
Direct docking supported
|
|
E3L005180
BDB005180
|
BDBM119723
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)ccc12
|
C29H34ClF2N3O3 546.058000 |
WOBLKIIJUYHOLE-YJRDPZTCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119723; PubChem:CID52938610
|
Local ready
Direct docking supported
|