| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052121
BDB052121
|
BDBM50314462
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)c(C#CCOC)s1)C1CCOCC1
|
C32H38N4O4S 574.747000 |
UIWVKFRRDKWKSL-PTJQVGQKSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50314462
|
Local ready
Direct docking supported
|
|
E3L052122
BDB052122
|
BDBM50314463
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)c(C#CCO)s1)C1CCOCC1
|
C31H36N4O4S 560.720000 |
CEVZTZIVXIOUAQ-OICBGKIFSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB
BindingDB:BDBM50314463
|
Local ready
Direct docking supported
|
|
E3L052123
BDB052123
|
BDBM50314464
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(C)cccc2s1)C1CCCCC1
|
C24H34N4O2S 442.629000 |
LDSUSZTYDPJIIM-MDKPJZGXSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314464; PubChem:CID46883881
|
Local ready
Direct docking supported
|
|
E3L052124
BDB052124
|
BDBM50314465
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(C(C)C)cccc2s1)C1CCCCC1
|
C26H38N4O2S 470.683000 |
JGMOCAAMYAMXOV-XJABCFGWSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314465; PubChem:CID46883882
|
Local ready
Direct docking supported
|
|
E3L052125
BDB052125
|
BDBM50314466
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(Cc3ccccc3)cccc2s1)C1CCCCC1
|
C30H38N4O2S 518.727000 |
YVVYRJPRGCJJLO-PPNCUWOSSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314466; PubChem:CID46883883
|
Local ready
Direct docking supported
|
|
E3L052126
BDB052126
|
BDBM50314467
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1
|
C29H36N4O2S 504.700000 |
ZMBDQSBUBMMIRB-QXWFJRNPSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314467; PubChem:CID44820627
|
Local ready
Direct docking supported
|
|
E3L052127
BDB052127
|
BDBM50314468
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3cccnc3)cccc2s1)C1CCCCC1
|
C28H35N5O2S 505.688000 |
UAWQNILLPUUPES-OEOAZWSVSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314468; PubChem:CID46883921
|
Local ready
Direct docking supported
|
|
E3L052128
BDB052128
|
BDBM50314469
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccncc3)cccc2s1)C1CCCCC1
|
C28H35N5O2S 505.688000 |
WQFARPRDXJNKOW-OEOAZWSVSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314469; PubChem:CID46883922
|
Local ready
Direct docking supported
|
|
E3L052129
BDB052129
|
BDBM50314470
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3Cl)cccc2s1)C1CCCCC1
|
C29H35ClN4O2S 539.145000 |
KNYCQQSDMGDZCG-WYRQLCSISA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314470; PubChem:CID46883923
|
Local ready
Direct docking supported
|
|
E3L052130
BDB052130
|
BDBM50314471
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3cccc(Cl)c3)cccc2s1)C1CCCCC1
|
C29H35ClN4O2S 539.145000 |
DCNHHLAXABEHQZ-WYRQLCSISA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314471; PubChem:CID46883924
|
Local ready
Direct docking supported
|
|
E3L052131
BDB052131
|
BDBM50314472
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(Cl)cc3)cccc2s1)C1CCCCC1
|
C29H35ClN4O2S 539.145000 |
UDSHPTQPAIYZKQ-WYRQLCSISA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314472; PubChem:CID46883992
|
Local ready
Direct docking supported
|
|
E3L052132
BDB052132
|
BDBM50314473
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3F)cccc2s1)C1CCCCC1
|
C29H35FN4O2S 522.690000 |
LLIIEEJHMACKQN-WYRQLCSISA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314473; PubChem:CID46883993
|
Local ready
Direct docking supported
|
|
E3L052133
BDB052133
|
BDBM50314474
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3cccc(F)c3)cccc2s1)C1CCCCC1
|
C29H35FN4O2S 522.690000 |
ZXIUVRCLHAZSCB-WYRQLCSISA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314474; PubChem:CID46883994
|
Local ready
Direct docking supported
|
|
E3L052134
BDB052134
|
BDBM50314475
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccc(F)cc3)cccc2s1)C1CCCCC1
|
C29H35FN4O2S 522.690000 |
ZAVJGZJOAOWWTO-WYRQLCSISA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314475; PubChem:CID46884021
|
Local ready
Direct docking supported
|
|
E3L052135
BDB052135
|
BDBM50314476
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ccnc2s1)C1CCCCC1
|
C28H35N5O2S 505.688000 |
CLTARQPEHNOQCG-TZYHBYERSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314476; PubChem:CID46884022
|
Local ready
Direct docking supported
|
|
E3L052136
BDB052136
|
BDBM50314477
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cncc2s1)C1CCCCC1
|
C28H35N5O2S 505.688000 |
ULSNCAHGMVHVCJ-OEOAZWSVSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314477; PubChem:CID46884023
|
Local ready
Direct docking supported
|
|
E3L052137
BDB052137
|
BDBM50314478
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ncnc2s1)C1CCCCC1
|
C27H34N6O2S 506.676000 |
XOMVTFGAOHFQCH-XJABCFGWSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314478; PubChem:CID46830176
|
Local ready
Direct docking supported
|
|
E3L052138
BDB052138
|
BDBM50314479
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)nc(C)nc2s1)C1CCCCC1
|
C28H36N6O2S 520.703000 |
LPSXMSKJMIDTCG-HYVJGQCMSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314479; PubChem:CID46884084
|
Local ready
Direct docking supported
|
|
E3L052139
BDB052139
|
BDBM50314481
O=c1[nH]c2ccc(O)cc2c2c1CSCC2
|
C12H11NO2S 233.292000 |
VNZCDYGKQLKZKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314481; PubChem:CID42605563
|
Local ready
Direct docking supported
|
|
E3L052140
BDB052140
|
BDBM50314482
CCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1
|
C20H26N2O2S 358.507000 |
QUOVXGIAQFDLMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50314482; PubChem:CID42606720
|
Local ready
Direct docking supported
|