| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054181
BDB054181
|
2-(2-Fluorophenoxy)-3-phenylpropanoic acid
O=C(O)C(Cc1ccccc1)Oc1ccccc1F
|
C15H13FO3 260.264000 |
YKKMWJPRJQDGFX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365750; PubChem:CID57395750
|
Local ready
Direct docking supported
|
|
E3L054182
BDB054182
|
2-(3-Fluorophenoxy)-3-phenylpropanoic acid
O=C(O)C(Cc1ccccc1)Oc1cccc(F)c1
|
C15H13FO3 260.264000 |
XDSIRAXLOMQZKJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50365751; PubChem:CID57397527
|
Local ready
Direct docking supported
|
|
E3L054183
BDB054183
|
(2S)-2-(4-fluorophenoxy)-3-phenylpropanoic acid
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(F)cc1
|
C15H13FO3 260.264000 |
IOHVDEGROLNPEM-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50365752; PubChem:CID57390448
|
Local ready
Direct docking supported
|
|
E3L054184
BDB054184
|
BDBM50365803
CCC/C=C\C#CC=CC(=O)CCCCCCCC(=O)O
|
C18H26O3 290.403000 |
SNUNXDVKYBQMPJ-PYEQFRRTSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50365803
|
Local ready
Direct docking supported
|
|
E3L054185
BDB054185
|
BDBM50365834
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(C(C)(C)C)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C41H55N5O3 665.923000 |
SPJOCSPTXXQQQQ-JPZUFNMASA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50365834
|
Local ready
Direct docking supported
|
|
E3L054186
BDB054186
|
BDBM50365835
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(Cl)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H46ClN5O3 644.260000 |
OTQBPUFJWXXQDR-MCWJOJKXSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365835
|
Local ready
Direct docking supported
|
|
E3L054187
BDB054187
|
BDBM50365836
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1cccc(Cl)c1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H46ClN5O3 644.260000 |
LUTNLDZCVBTUNF-MCWJOJKXSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365836
|
Local ready
Direct docking supported
|
|
E3L054188
BDB054188
|
BDBM50365837
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccccc1Cl)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H46ClN5O3 644.260000 |
IPLZSZYYIDNCKU-VMVDRLPDSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365837
|
Local ready
Direct docking supported
|
|
E3L054189
BDB054189
|
BDBM50365838
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(C)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C38H49N5O3 623.842000 |
NTONSIJVBYVWAO-ORDGYQPLSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365838
|
Local ready
Direct docking supported
|
|
E3L054190
BDB054190
|
BDBM50365839
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1cccc(C)c1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C38H49N5O3 623.842000 |
QEYBJXMORXQWQF-ORDGYQPLSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50365839
|
Local ready
Direct docking supported
|
|
E3L054191
BDB054191
|
BDBM50365840
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccccc1C)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C38H49N5O3 623.842000 |
QYECFARCXNQNIC-ZUYLYXQESA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365840
|
Local ready
Direct docking supported
|
|
E3L054192
BDB054192
|
BDBM50365841
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccccc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H47N5O3 609.815000 |
NVNDSZWHCFDEAR-UCDLYESDSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50365841; PubChem:CID44596256
|
Local ready
Direct docking supported
|
|
E3L054193
BDB054193
|
BDBM50365842
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1cc(Cl)cc(Cl)c1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H45Cl2N5O3 678.705000 |
VMZLJSJMQIJQNE-ANAOGEIGSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365842
|
Local ready
Direct docking supported
|
|
E3L054194
BDB054194
|
BDBM50365843
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(N)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H48N6O3 624.830000 |
UPEHNMHOXIXNAU-MCWJOJKXSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365843
|
Local ready
Direct docking supported
|
|
E3L054195
BDB054195
|
BDBM50365844
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(C(=O)OC)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C39H49N5O5 667.851000 |
RTINGDYJFFRKGJ-ZUYLYXQESA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365844
|
Local ready
Direct docking supported
|
|
E3L054196
BDB054196
|
BDBM50365845
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc([N+](=O)[O-])cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H46N6O5 654.812000 |
CQDFDYIAENVHDT-SDDWGXRISA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50365845
|
Local ready
Direct docking supported
|
|
E3L054197
BDB054197
|
BDBM50365846
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(OC)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C38H49N5O4 639.841000 |
PKJOFWLLGRGGPY-FFZGIQLDSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50365846
|
Local ready
Direct docking supported
|
|
E3L054198
BDB054198
|
BDBM50365847
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(C(F)(F)F)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C38H46F3N5O3 677.812000 |
MUTHYBUYHXYYND-MCWJOJKXSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365847
|
Local ready
Direct docking supported
|
|
E3L054199
BDB054199
|
BDBM50365848
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1cc(F)cc(F)c1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H45F2N5O3 645.795000 |
IJARXYCZSFMVRI-ANAOGEIGSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50365848
|
Local ready
Direct docking supported
|
|
E3L054200
BDB054200
|
BDBM50365849
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCNCc1ccc(F)cc1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C37H46FN5O3 627.805000 |
IWDHAXQKFKAZRS-MCWJOJKXSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50365849
|
Local ready
Direct docking supported
|