| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017501
BDB017501
|
US10398702, Example 21
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)cc2[C@H]1C(=O)Nc1c(F)cccc1F
|
C57H71F3N10O7 1065.252000 |
DWXWQLOMZHEBFQ-GSYKCJHXSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412182; PubChem:CID132136880
|
Local ready
Direct docking supported
|
|
E3L017502
BDB017502
|
US10398702, Example 22
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)CNC(=O)[C@]3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)cc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C
|
C57H71F3N10O7 1065.252000 |
IBZIIVISPQLELC-CEHVYTRKSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412183; PubChem:CID132136630
|
Local ready
Direct docking supported
|
|
E3L017503
BDB017503
|
US10398702, Example A
C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCCN)c3ccc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C32H45FN6O3 580.749000 |
LQOKEIHVFLUEOJ-HBIGZJEKSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412184; PubChem:CID132121810
|
Local ready
Direct docking supported
|
|
E3L017504
BDB017504
|
US10398702, Example B
C[C@@H]1CN(CC(=O)N2C[C@@](C)(C(=O)O)c3ccc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C30H39FN4O4 538.664000 |
AEKQSNLWAKMPDL-NITIVINISA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412185; PubChem:CID132116188
|
Local ready
Direct docking supported
|
|
E3L017505
BDB017505
|
US10398702, Example C
C[C@@H]1CN(CC(=O)N2CC(C)(CO)c3ccc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C30H41FN4O3 524.681000 |
VHDDFOLGLBDAEY-FRJRRQFFSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412186; PubChem:CID132115545
|
Local ready
Direct docking supported
|
|
E3L017506
BDB017506
|
US10398702, Example D
C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)Nc3ccc(C(=O)O)cc3)c3ccc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C37H44FN5O5 657.787000 |
GQRITZNZNCQQRA-IYLLWGTOSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412187; PubChem:CID132115523
|
Local ready
Direct docking supported
|
|
E3L017507
BDB017507
|
US10398702, Example E
C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCC(=O)O)c3ccc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C32H42FN5O5 595.716000 |
WQMGHGPQSDYHHQ-FIMFUJOFSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412188; PubChem:CID132116327
|
Local ready
Direct docking supported
|
|
E3L017508
BDB017508
|
BDBM412340
C/C(=C\COc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CCC(=O)O
|
C25H25F3N2O4 474.479000 |
LKBNNCNNGBRSKP-GHRIWEEISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM412340; PubChem:CID126752344
|
Local ready
Direct docking supported
|
|
E3L017509
BDB017509
|
BDBM413448
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CC[C@H](O)CC1)c(=O)n2C
|
C19H22N8O2 394.439000 |
XGWVDWGXBYRXIX-JOCQHMNTSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM413448
|
Local ready
Direct docking supported
|
|
E3L017510
BDB017510
|
BDBM413449
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CC[C@@H](O)CC1)c(=O)n2C
|
C19H22N8O2 394.439000 |
XGWVDWGXBYRXIX-BETUJISGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM413449
|
Local ready
Direct docking supported
|
|
E3L017511
BDB017511
|
Azd-7648
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C
|
C18H20N8O2 380.412000 |
XISVSTPEXYIKJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM413450; PubChem:CID135151360
|
Local ready
Direct docking supported
|
|
E3L017512
BDB017512
|
US10407446, Example 4
Cc1nc2cc(C)c(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)cn2n1
|
C19H22N8O2 394.439000 |
HVAUFHFQTYQRDP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM413451; PubChem:CID135151369
|
Local ready
Direct docking supported
|
|
E3L017513
BDB017513
|
BDBM413452
CO[C@H]1CC[C@@H](n2c(=O)n(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)CC1
|
C20H24N8O2 408.466000 |
ZFIZVPPSNWVMDU-OKILXGFUSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM413452
|
Local ready
Direct docking supported
|
|
E3L017514
BDB017514
|
BDBM413453
CO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc(Nc4cn5ncnc5cc4C)nc32)CC1
|
C20H24N8O2 408.466000 |
ZFIZVPPSNWVMDU-HDJSIYSDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM413453
|
Local ready
Direct docking supported
|
|
E3L017515
BDB017515
|
US10407446, Example 7
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CCCOC1)c(=O)n2C
|
C18H20N8O2 380.412000 |
ZXABVFIAHLXSDB-LBPRGKRZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM413454; PubChem:CID135151307
|
Local ready
Direct docking supported
|
|
E3L017516
BDB017516
|
US10407446, Example 8
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@@H]1CCCOC1)c(=O)n2C
|
C18H20N8O2 380.412000 |
ZXABVFIAHLXSDB-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM413455; PubChem:CID135151410
|
Local ready
Direct docking supported
|
|
E3L017517
BDB017517
|
BDBM413456
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CC[C@](C)(O)CC1)c(=O)n2C
|
C20H24N8O2 408.466000 |
FAPBUMXELNHUHE-UWELNFAVSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM413456
|
Local ready
Direct docking supported
|
|
E3L017518
BDB017518
|
BDBM413457
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CC[C@@](C)(O)CC1)c(=O)n2C
|
C20H24N8O2 408.466000 |
FAPBUMXELNHUHE-NXHRWCDGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM413457
|
Local ready
Direct docking supported
|
|
E3L017519
BDB017519
|
US10407446, Example 11
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@H]1CCOC1)c(=O)n2C
|
C17H18N8O2 366.385000 |
RUHACGHAVPFPAK-NSHDSACASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM413458; PubChem:CID135151292
|
Local ready
Direct docking supported
|
|
E3L017520
BDB017520
|
BDBM413459
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n([C@]1(C)CC[C@H](O)CC1)c(=O)n2C
|
C20H24N8O2 408.466000 |
PVYBUZOMPVPVNK-NXHRWCDGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM413459
|
Local ready
Direct docking supported
|