| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017761
BDB017761
|
US10508103, Embodiment 22
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)nc2cc(F)ccc21)C1CC1
|
C44H57F4N9O4 851.991000 |
XQZVPDBEXZXRJV-RCNIFLMZSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM422069; PubChem:CID132078167
|
Local ready
Direct docking supported
|
|
E3L017762
BDB017762
|
US10508103, Embodiment 23
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CC2)[nH]c2cc(F)ccc12)C1CCCCC1
|
C46H59F4N9O4 878.029000 |
KKWLUZGICGKWBO-NJLOSVDQSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM422070; PubChem:CID138622405
|
Local ready
Direct docking supported
|
|
E3L017763
BDB017763
|
US10508103, Embodiment 24
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)nc2cc(F)ccc21
|
C42H55F4N9O4 825.953000 |
ZSXKIIOHPBSZLY-GFRDOYFHSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM422071; PubChem:CID138622402
|
Local ready
Direct docking supported
|
|
E3L017764
BDB017764
|
US10508103, Embodiment 25
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CC2)nc2cc(F)ccc21
|
C42H53F4N9O4 823.937000 |
UICYBBQXUNUXKD-VKYANDRJSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM422072; PubChem:CID132077975
|
Local ready
Direct docking supported
|
|
E3L017765
BDB017765
|
US10508103, Embodiment 26
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)nc2cc(F)ccc21
|
C43H57F4N9O4 839.980000 |
AUQURWZNRUDIPG-AQICJMBNSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM422073; PubChem:CID132077942
|
Local ready
Direct docking supported
|
|
E3L017766
BDB017766
|
US10508103, Embodiment 27
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)nc2cc(F)ccc21
|
C45H59F4N9O4 866.018000 |
BEKHHJXMNJUVPU-IAECAYPDSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM422074; PubChem:CID132078018
|
Local ready
Direct docking supported
|
|
E3L017767
BDB017767
|
US10508103, Embodiment 28
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CC2)nc2cc(F)ccc21)C(C)C
|
C43H55F4N9O4 837.964000 |
SLAGPURLSGLFNR-LGXHBFLKSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM422075; PubChem:CID132078061
|
Local ready
Direct docking supported
|
|
E3L017768
BDB017768
|
US10508103, Embodiment 29
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[nH]c2cc(F)ccc12)C1CC1
|
C44H57F4N9O4 851.991000 |
YLYVHBPRNYWVJL-RCNIFLMZSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM422076; PubChem:CID132077943
|
Local ready
Direct docking supported
|
|
E3L017769
BDB017769
|
US10508103, Embodiment 30
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)[nH]c2cc(F)ccc12)C1CC1
|
C46H59F4N9O4 878.029000 |
HVGOKGXSFAEWAI-NJLOSVDQSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM422077; PubChem:CID132078076
|
Local ready
Direct docking supported
|
|
E3L017770
BDB017770
|
US10508103, Embodiment 31
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CC2)[nH]c2cc(F)ccc12
|
C42H53F4N9O4 823.937000 |
CDYDNLHTCQCTFC-VKYANDRJSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM422078; PubChem:CID132077962
|
Local ready
Direct docking supported
|
|
E3L017771
BDB017771
|
US10508103, Embodiment 32
CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[nH]c2cc(F)ccc12
|
C43H57F4N9O4 839.980000 |
CDOXXTANCXIUIS-MIFWIENDSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM422079; PubChem:CID132078172
|
Local ready
Direct docking supported
|
|
E3L017772
BDB017772
|
US10508103, Embodiment 36
CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCCCC2)nc2cc(F)ccc21
|
C46H61F4N9O4 880.045000 |
XWCFRUZRYJMYNN-HLPXUZKOSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM422080; PubChem:CID132077967
|
Local ready
Direct docking supported
|
|
E3L017773
BDB017773
|
US10508103, Embodiment 38
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[nH]c2cc(F)ccc12
|
C43H58F3N9O4 821.990000 |
AJOUIXOVNYBNJP-QZFUWKRESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM422081; PubChem:CID132078025
|
Local ready
Direct docking supported
|
|
E3L017774
BDB017774
|
US10508103, Embodiment 39
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[nH]c2cc(F)ccc12
|
C42H56F3N9O4 807.963000 |
ITTIAONTSKNHFX-XNMKWYJJSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM422082; PubChem:CID132078151
|
Local ready
Direct docking supported
|
|
E3L017775
BDB017775
|
US10508103, Embodiment 40
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[nH]c2cc(F)ccc12
|
C43H58F3N9O4 821.990000 |
SKKKADCIZAWJQA-QZFUWKRESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM422083; PubChem:CID138622484
|
Local ready
Direct docking supported
|
|
E3L017776
BDB017776
|
US10508103, Embodiment 42
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)nc2cc(F)ccc21
|
C43H58F3N9O4 821.990000 |
SFVHBQPXPLYFBG-QZFUWKRESA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM422084; PubChem:CID132078009
|
Local ready
Direct docking supported
|
|
E3L017777
BDB017777
|
US10508103, Embodiment 43
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CC(F)(F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CC(F)(F)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)NC)[nH]c2cc(F)ccc12
|
C41H51F6N9O4 847.906000 |
YMJQECISORYCSE-APIXEABGSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM422085; PubChem:CID132078176
|
Local ready
Direct docking supported
|
|
E3L017778
BDB017778
|
US10508103, Embodiment 44
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CC(F)(F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CC2)[nH]c2cc(F)ccc12)C1CC1
|
C43H51F6N9O4 871.928000 |
NXKRBLQPGIXBLT-DKJBLJMPSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM422086; PubChem:CID132078027
|
Local ready
Direct docking supported
|
|
E3L017779
BDB017779
|
US10508103, Embodiment 46
CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CC(F)(F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CC(F)(F)CN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)[nH]c2cc(F)ccc12
|
C42H53F6N9O4 861.933000 |
BVNKXOWYTHHDGP-AQQFEGBLSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM422087; PubChem:CID132078177
|
Local ready
Direct docking supported
|
|
E3L017780
BDB017780
|
US10500194, Example 1
C=CC(=O)NC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1nc2ccc(Cl)cc2s1)NC(=O)CC
|
C25H27ClN4O3S 499.036000 |
TYSFHKCQVHPPEG-ICSRJNTNSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM423121; PubChem:CID135350754
|
Local ready
Direct docking supported
|