| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017481
BDB017481
|
US10398702, Example 1
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)C3(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)C1CCOCC1
|
C56H68F3N9O7 1036.210000 |
KKDIBMNGHOWFJB-TZDRKILZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412162; PubChem:CID132136608
|
Local ready
Direct docking supported
|
|
E3L017482
BDB017482
|
US10398702, Example 2
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)CNC(=O)C3(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)C1CCOCC1
|
C58H71F3N10O8 1093.262000 |
HOKHIOIWTNNVMY-SJHREDNESA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412163; PubChem:CID132136723
|
Local ready
Direct docking supported
|
|
E3L017483
BDB017483
|
US10398702, Example 3
C[C@@H]1CN(CC(=O)N2CC(C)(C(=O)NCCNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)c3ccc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C62H82F2N10O6 1101.398000 |
VRGIZOAUSBZMJC-YTBOIHSISA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412164; PubChem:CID132136649
|
Local ready
Direct docking supported
|
|
E3L017484
BDB017484
|
US10398702, Example 4
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)c3ccc(NC(=O)C4(C)CN(C(=O)CN5C[C@@H](C)NC[C@@H]5CN5CCOC[C@H]5C)c5cc(Cc6ccc(F)cc6)ccc54)cc3)cc2[C@H]1C(=O)Nc1c(F)cccc1F)C1CCOCC1
|
C63H73F3N10O8 1155.333000 |
YAZQOISVPGFMGA-JCSBTUTESA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412165; PubChem:CID138626272
|
Local ready
Direct docking supported
|
|
E3L017485
BDB017485
|
US10398702, Example 5
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)ccc2CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C60H78FN9O6 1040.339000 |
QICFHBQZRMLUEQ-OAYQEPMQSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412166; PubChem:CID139452367
|
Local ready
Direct docking supported
|
|
E3L017486
BDB017486
|
US10398702, Example 6
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H81FN10O7 1097.391000 |
BJHUHNWTABFPGG-LNFVYUFUSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412167; PubChem:CID132137010
|
Local ready
Direct docking supported
|
|
E3L017487
BDB017487
|
US10398702, Example 7
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)CC(=O)NCCCC3(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)C1CCOCC1
|
C61H77F3N10O8 1135.343000 |
ZRZQYEMQDXBPFV-RNMKPMEYSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412168; PubChem:CID132136771
|
Local ready
Direct docking supported
|
|
E3L017488
BDB017488
|
US10398702, Example 8
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)C1CCOCC1
|
C58H71F3N10O8 1093.262000 |
HOKHIOIWTNNVMY-JHJKZRHASA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412169; PubChem:CID132136859
|
Local ready
Direct docking supported
|
|
E3L017489
BDB017489
|
US10398702, Example 9
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)C1CCOCC1
|
C58H71F3N10O8 1093.262000 |
HOKHIOIWTNNVMY-UVOKZHRTSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412170; PubChem:CID132136623
|
Local ready
Direct docking supported
|
|
E3L017490
BDB017490
|
US10398702, Example 10
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(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)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H81FN10O7 1097.391000 |
BJHUHNWTABFPGG-JBRJAVIZSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412171; PubChem:CID132136787
|
Local ready
Direct docking supported
|
|
E3L017491
BDB017491
|
US10398702, Example 11
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(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)ccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H81FN10O7 1097.391000 |
BJHUHNWTABFPGG-CYLUITCRSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412172; PubChem:CID132136628
|
Local ready
Direct docking supported
|
|
E3L017492
BDB017492
|
US10398702, Example 12
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=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)C1CCOCC1
|
C56H68F3N9O7 1036.210000 |
KKDIBMNGHOWFJB-QPVRNIJESA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412173; PubChem:CID132136746
|
Local ready
Direct docking supported
|
|
E3L017493
BDB017493
|
US10398702, Example 13
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(NC(=O)CNC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)ccc2C[C@H]1C(=O)Nc1c(F)cccc1F)C1CCOCC1
|
C59H73F3N10O8 1107.289000 |
NWNOURIQTQGEHG-SHVDBAOHSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412174; PubChem:CID132136793
|
Local ready
Direct docking supported
|
|
E3L017494
BDB017494
|
US10398702, Example 14
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(C(=O)NCCNC(=O)C2(C)CN(C(=O)CN3C[C@@H](C)NC[C@@H]3CN3CCOC[C@H]3C)c3cc(Cc4ccc(F)cc4)ccc32)ccc1F)C1CCOCC1
|
C59H74F2N10O8 1089.299000 |
MEKZNRWBMMUXCT-FJHMUCPTSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412175; PubChem:CID132115594
|
Local ready
Direct docking supported
|
|
E3L017495
BDB017495
|
US10398702, Example 15
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=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)C1CCOCC1
|
C56H68F3N9O7 1036.210000 |
KKDIBMNGHOWFJB-RABBDSCGSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412176; PubChem:CID132136675
|
Local ready
Direct docking supported
|
|
E3L017496
BDB017496
|
US10398702, Example 16
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cc(C(=O)Nc2ccc(NC(=O)C3(C)CN(C(=O)CN4C[C@@H](C)NC[C@@H]4CN4CCOC[C@H]4C)c4cc(Cc5ccc(F)cc5)ccc43)cc2)ccc1F)C1CCOCC1
|
C63H74F2N10O8 1137.343000 |
CVZJCEWUSZWWLC-IKPIZQADSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412177; PubChem:CID132137023
|
Local ready
Direct docking supported
|
|
E3L017497
BDB017497
|
US10398702, Example 17
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)CCNC(=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)C1CCOCC1
|
C59H73F3N10O8 1107.289000 |
MPHZACABYPVWIA-VGWQXMOOSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412178; PubChem:CID139452363
|
Local ready
Direct docking supported
|
|
E3L017498
BDB017498
|
US10398702, Example 18
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccc(NC(=O)CCCNC(=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)C1CCOCC1
|
C60H75F3N10O8 1121.316000 |
YAEAYORFJSUSDR-FNAFXGOBSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412179; PubChem:CID132136870
|
Local ready
Direct docking supported
|
|
E3L017499
BDB017499
|
US10398702, Example 19
CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2cc(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)ccc2[C@H]1C(=O)Nc1c(F)cccc1F)C1CCOCC1
|
C58H71F3N10O8 1093.262000 |
GQDXYVZPONPAQI-JHJKZRHASA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM412180; PubChem:CID132136688
|
Local ready
Direct docking supported
|
|
E3L017500
BDB017500
|
US10398702, Example 20
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@@H](C)OC
|
C56H69F3N10O8 1067.224000 |
GQJBERRGZSKOOZ-ZYKJTKOSSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM412181; PubChem:CID132137025
|
Local ready
Direct docking supported
|