| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007321
BDB007321
|
US9073917, 12-comparative
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C25H22N4O4S 474.542000 |
QNOOVTZVMOOSAW-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM167515; PubChem:CID59825726
|
Local ready
Direct docking supported
|
|
E3L007322
BDB007322
|
US9073917, 13-comparative
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3cccc(OC)c3[nH]2)o1
|
C26H24N4O5S 504.568000 |
VPEYPVPNDMIFEL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM167516; PubChem:CID70645399
|
Local ready
Direct docking supported
|
|
E3L007323
BDB007323
|
Atuveciclib Racemate
COc1cc(F)ccc1-c1ncnc(Nc2cccc(CS(C)(=N)=O)c2)n1
|
C18H18FN5O2S 387.440000 |
ACWKGTGIJRCOOM-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM168383; PubChem:CID71618220
|
Local ready
Direct docking supported
|
|
E3L007324
BDB007324
|
US9079913, MI-219-M1 (a)
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)C=O)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C27H30Cl2FN3O4 550.458000 |
QPYCEBILXYDNAA-NVHWNKAKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170236; PubChem:CID52937956
|
Local ready
Direct docking supported
|
|
E3L007325
BDB007325
|
US9079913, MI-219-M1 (b)
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCC(=O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C27H30Cl2FN3O4 550.458000 |
BTYCSKWMQWEJJA-IDIXZGLXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170237; PubChem:CID58254137
|
Local ready
Direct docking supported
|
|
E3L007326
BDB007326
|
BDBM170238
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CNC(C)(C)C)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C31H41Cl2FN4O3 607.598000 |
FNTKIGXRRNDBFK-PYSFBUAXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170238
|
Local ready
Direct docking supported
|
|
E3L007327
BDB007327
|
BDBM170239
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C28H32Cl2FN3O3 548.486000 |
UDBPZUUUYNGRLF-APQJWPKQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170239
|
Local ready
Direct docking supported
|
|
E3L007328
BDB007328
|
BDBM170240
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CN2CCCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C31H39Cl2FN4O3 605.582000 |
ZHVWMEBKCWCTFP-RFHZMROGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170240
|
Local ready
Direct docking supported
|
|
E3L007329
BDB007329
|
BDBM170241
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CN2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C31H39Cl2FN4O4 621.581000 |
BAFJGFAIIOXZDU-ZPPRXTSMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170241
|
Local ready
Direct docking supported
|
|
E3L007330
BDB007330
|
US9079913, MI-519-31 (isomer of MI-519-30)
CC(O)C(O)CCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1
|
C28H34Cl2FN3O4 566.501000 |
UEHPLMKQIFMLIS-GSIFIEQUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170242; PubChem:CID58254230
|
Local ready
Direct docking supported
|
|
E3L007331
BDB007331
|
BDBM170244
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCN2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C29H35Cl2FN4O3 577.528000 |
HQFBGVNJAFEMRY-HXXBZNTPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170244
|
Local ready
Direct docking supported
|
|
E3L007332
BDB007332
|
BDBM170245
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC2CC(O)C(O)C2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C29H34Cl2FN3O4 578.512000 |
IKJLGXJWRMJHJV-DZDCWBJOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170245
|
Local ready
Direct docking supported
|
|
E3L007333
BDB007333
|
BDBM170247
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCCN2CCCC2)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C30H37Cl2FN4O2 575.556000 |
DHBXLDIUCMEPHT-PYOQLBSMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170247; PubChem:CID52937958
|
Local ready
Direct docking supported
|
|
E3L007334
BDB007334
|
BDBM170248
CNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1
|
C24H26Cl2FN3O2 478.395000 |
ZWEOYLUAGZCBIG-ZSTWQFLISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170248; PubChem:CID52937959
|
Local ready
Direct docking supported
|
|
E3L007335
BDB007335
|
BDBM170249
CC(C)(C)C[C@H]1N[C@@H](C(N)=O)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C23H24Cl2FN3O2 464.368000 |
DVZPAIQQEUCBAR-KCESLBEFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170249; PubChem:CID52937960
|
Local ready
Direct docking supported
|
|
E3L007336
BDB007336
|
BDBM170250
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCCN2CCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C30H37Cl2FN4O2 575.556000 |
XVEOBAMHAVOBRR-HVHHDALESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170250; PubChem:CID52937961
|
Local ready
Direct docking supported
|
|
E3L007337
BDB007337
|
BDBM170251
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCCN2CCCCC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C31H39Cl2FN4O2 589.583000 |
CNLUPKVITANMJE-OHMLLRHZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170251; PubChem:CID52937962
|
Local ready
Direct docking supported
|
|
E3L007338
BDB007338
|
BDBM170252
CC(C)N1CCN(CCCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C33H44Cl2FN5O2 632.652000 |
BZSRXVQVRIIUDK-LWPCESSHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170252
|
Local ready
Direct docking supported
|
|
E3L007339
BDB007339
|
BDBM170253
CN1CCN(CCCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C31H40Cl2FN5O2 604.598000 |
MEOBCNLOCHKAIY-OHMLLRHZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170253
|
Local ready
Direct docking supported
|
|
E3L007340
BDB007340
|
BDBM170254
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCCN2CCN(C3CC3)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C33H42Cl2FN5O2 630.636000 |
STTMNXBGPHZZKN-LWPCESSHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170254
|
Local ready
Direct docking supported
|