| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000141
BDB000141
|
BDBM12986
C[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
|
C26H30N6O2 458.566000 |
CAQRLZFEWBTCCO-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12986; PubChem:CID11994445
|
Local ready
Direct docking supported
|
|
E3L000142
BDB000142
|
BDBM12987
CO[C@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
|
C26H30N6O3 474.565000 |
XKFTZKGMDDZMJI-QHCPKHFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12987; PubChem:CID11994441
|
Local ready
Direct docking supported
|
|
E3L000143
BDB000143
|
Smac peptido-mimetic 1
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1
|
C20H30N4O3 374.485000 |
RFCQRRDVLMEWMG-XIRDDKMYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13142; PubChem:CID11200722
|
Local ready
Direct docking supported
|
|
E3L000144
BDB000144
|
BDBM13143
CC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C
|
C17H32N4O3 340.468000 |
TWHNXFZXAMDVAL-IHRRRGAJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13143; PubChem:CID11450670
|
Local ready
Direct docking supported
|
|
E3L000145
BDB000145
|
BDBM13144
CCC(CC)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C
|
C19H36N4O3 368.522000 |
XEUNZZQOODTMLJ-BPUTZDHNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13144; PubChem:CID11417324
|
Local ready
Direct docking supported
|
|
E3L000146
BDB000146
|
BDBM13145
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CC1
|
C17H30N4O3 338.452000 |
AVVAGMSMAIELCX-UBHSHLNASA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13145; PubChem:CID11151918
|
Local ready
Direct docking supported
|
|
E3L000147
BDB000147
|
BDBM13146
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1
|
C20H36N4O3 380.533000 |
UETWNTWJPLMFAF-XIRDDKMYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13146; PubChem:CID11176463
|
Local ready
Direct docking supported
|
|
E3L000148
BDB000148
|
BDBM13147
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1
|
C18H28N4O4 364.446000 |
ZGNDYHOBUNOWJQ-QEJZJMRPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13147; PubChem:CID11475093
|
Local ready
Direct docking supported
|
|
E3L000149
BDB000149
|
BDBM13148
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1
|
C18H28N4O3S 380.514000 |
OCEUKYZNIXMBLL-QEJZJMRPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13148; PubChem:CID11258581
|
Local ready
Direct docking supported
|
|
E3L000150
BDB000150
|
BDBM13149
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1
|
C19H28N4O3 360.458000 |
JJITZNJGYINLAK-BPUTZDHNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13149; PubChem:CID23646334
|
Local ready
Direct docking supported
|
|
E3L000151
BDB000151
|
Smac peptido-mimetic 6h
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1
|
C21H32N4O3 388.512000 |
ZVSVRPUZPIDLBB-SZMVWBNQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13150; PubChem:CID11176734
|
Local ready
Direct docking supported
|
|
E3L000152
BDB000152
|
BDBM13151
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1
|
C26H34N4O3 450.583000 |
WKJJKOCFFPMSNU-NYVOZVTQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13151; PubChem:CID11317764
|
Local ready
Direct docking supported
|
|
E3L000153
BDB000153
|
BDBM13152
CC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C
|
C27H36N4O3 464.610000 |
ZYQRNUJYGVCLAR-VABKMULXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13152; PubChem:CID11351754
|
Local ready
Direct docking supported
|
|
E3L000154
BDB000154
|
BDBM13153
CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1CCCc1ccccc1
|
C21H33N3O2 359.514000 |
UUZJQDOGNYCTBE-UHOSZYNNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13153; PubChem:CID23646335
|
Local ready
Direct docking supported
|
|
E3L000155
BDB000155
|
BDBM13154
CC(C)[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1
|
C20H30N4O3 374.485000 |
HFUIGTYWXUTFNQ-WMZOPIPTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13154; PubChem:CID23646336
|
Local ready
Direct docking supported
|
|
E3L000156
BDB000156
|
BDBM13155
CC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C
|
C21H32N4O3 388.512000 |
QLSCFXXQNWFPJE-BZSNNMDCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13155; PubChem:CID23646337
|
Local ready
Direct docking supported
|
|
E3L000157
BDB000157
|
BDBM13156
CC(C)[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C
|
C22H34N4O3 402.539000 |
MSOXVCVBUQCJOZ-FHWLQOOXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13156; PubChem:CID23646338
|
Local ready
Direct docking supported
|
|
E3L000158
BDB000158
|
BDBM13157
CCC[C@H](N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C
|
C22H34N4O3 402.539000 |
WYJGQILOOWFNSE-FHWLQOOXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13157; PubChem:CID23646339
|
Local ready
Direct docking supported
|
|
E3L000159
BDB000159
|
BDBM13158
CCCCCCCCCC=Cc1c(O)c(O)cc(O)c1O
|
C17H26O4 294.391000 |
LEMOCKLYNMZOCJ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM13158
|
Local ready
Direct docking supported
|
|
E3L000160
BDB000160
|
3-Ethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
C=Cc1c(O)c(O)cc(O)c1O
|
C8H8O4 168.148000 |
HPINTYLIRRVITJ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13159; PubChem:CID53889249
|
Local ready
Direct docking supported
|