| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007001
BDB007001
|
BDBM156145
C[C@@H]1CN([C@@H](C)C(=O)N2CC(C)(C)c3ccc(C#N)cc32)CCN1
|
C19H26N4O 326.444000 |
KERQADYHUORFRW-KGLIPLIRSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156145; PubChem:CID90231914
|
Local ready
Direct docking supported
|
|
E3L007002
BDB007002
|
BDBM156147
CCC(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O
|
C24H35F2N5O2 463.573000 |
NJGMIUUTGCIICK-IAGOWNOFSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156147; PubChem:CID90232042
|
Local ready
Direct docking supported
|
|
E3L007003
BDB007003
|
BDBM156148
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCCC2=O)CN1
|
C28H35F2N5O2 511.617000 |
KQFUNDQLMXSEKE-XMSQKQJNSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156148; PubChem:CID90232300
|
Local ready
Direct docking supported
|
|
E3L007004
BDB007004
|
BDBM156149
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCOC2=O)CN1
|
C27H33F2N5O3 513.589000 |
BJNXAWSQWUYWSR-DYESRHJHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156149; PubChem:CID90232029
|
Local ready
Direct docking supported
|
|
E3L007005
BDB007005
|
BDBM156150
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCCC2=O)CN1
|
C27H34F2N6O2 512.605000 |
BRKDEOLZDIWBAA-DYESRHJHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156150; PubChem:CID90232344
|
Local ready
Direct docking supported
|
|
E3L007006
BDB007006
|
BDBM156151
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CC[C@H](F)C2)CN1
|
C28H36F3N5O 515.624000 |
ROKBQGWENQLZGS-RZFNWQHOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM156151
|
Local ready
Direct docking supported
|
|
E3L007007
BDB007007
|
BDBM156152
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CC[C@@H](F)C2)CN1
|
C28H36F3N5O 515.624000 |
ROKBQGWENQLZGS-JMUQELJHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM156152
|
Local ready
Direct docking supported
|
|
E3L007008
BDB007008
|
BDBM156153
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CC[C@H](F)C2)CN1
|
C28H36F3N5O 515.624000 |
KZFDFKWTHOYHFL-YFXJRYMSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM156153
|
Local ready
Direct docking supported
|
|
E3L007009
BDB007009
|
BDBM156154
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CC[C@@H](F)C2)CN1
|
C28H36F3N5O 515.624000 |
KZFDFKWTHOYHFL-SXSPYAJSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM156154
|
Local ready
Direct docking supported
|
|
E3L007010
BDB007010
|
BDBM156155
Cc1nc(C)n(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)n1
|
C28H35F2N7O 523.632000 |
OEVJHXJCHXTTGM-UZUQRXQVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM156155
|
Local ready
Direct docking supported
|
|
E3L007011
BDB007011
|
BDBM156156
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCC(=O)C2)CN1
|
C28H35F2N5O2 511.617000 |
UJJXCQMAEGDEKX-XMSQKQJNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156156; PubChem:CID90232372
|
Local ready
Direct docking supported
|
|
E3L007012
BDB007012
|
BDBM156157
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCC(F)(F)C2)CN1
|
C28H35F4N5O 533.614000 |
QZUAXSCNDYCRPC-XMSQKQJNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156157; PubChem:CID90232190
|
Local ready
Direct docking supported
|
|
E3L007013
BDB007013
|
BDBM156158
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCOC2=O)CN1
|
C27H33F2N5O3 513.589000 |
XKLHMGYNMGMRIR-DYESRHJHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156158; PubChem:CID90231980
|
Local ready
Direct docking supported
|
|
E3L007014
BDB007014
|
BDBM156160
CC(C)C(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O
|
C25H37F2N5O2 477.600000 |
WJPANJCXYDCWNP-QZTJIDSGSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156160; PubChem:CID90232182
|
Local ready
Direct docking supported
|
|
E3L007015
BDB007015
|
BDBM156161
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(F)(F)C4CC4)cc32)[C@@H](CN2CCCC2=O)CN1
|
C25H35F2N5O2 475.584000 |
JEGVRIFNQZRZLQ-SJLPKXTDSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156161; PubChem:CID90232456
|
Local ready
Direct docking supported
|
|
E3L007016
BDB007016
|
BDBM156163
CCC(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CC[C@@H](F)C1
|
C24H36F3N5O 467.580000 |
BAMMUPBFLADLLJ-KZNAEPCWSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM156163; PubChem:CID90231955
|
Local ready
Direct docking supported
|
|
E3L007017
BDB007017
|
BDBM156165
CC(C)CC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O)CC2(C)C
|
C26H39F2N5O2 491.627000 |
FMNIQMREQAGKPU-UYAOXDASSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156165; PubChem:CID90232219
|
Local ready
Direct docking supported
|
|
E3L007018
BDB007018
|
BDBM156167
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(F)(F)c4ccccc4)cc32)[C@@H](CN2C(=O)CCC2=O)CN1
|
C28H33F2N5O3 525.600000 |
RUNQGSKBZQONRC-UYAOXDASSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156167; PubChem:CID90232082
|
Local ready
Direct docking supported
|
|
E3L007019
BDB007019
|
BDBM156168
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCOCC2)CN1
|
C28H37F2N5O2 513.633000 |
SLOACHVXDBMUCE-AUSIDOKSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156168; PubChem:CID90232303
|
Local ready
Direct docking supported
|
|
E3L007020
BDB007020
|
BDBM156169
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCCC2)CN1
|
C28H37F2N5O 497.634000 |
RYOZYVRMRIRMSY-AUSIDOKSSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM156169; PubChem:CID90232282
|
Local ready
Direct docking supported
|