| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L021661
BDB021661
|
BDBM518266
CN[C@@H](C)C(=O)NC1CCO[C@H]2CCC(C(=O)Nc3cccc4ccccc34)N2C1=O
|
C23H28N4O4 424.501000 |
XTWCHYNJYPOFBR-XHNVJUCFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518266; PubChem:CID126712377
|
Local ready
Direct docking supported
|
|
E3L021662
BDB021662
|
BDBM518274
CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C24H35N5O3 441.576000 |
RYBZPXRGSOWIAP-QFKUQALRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518274; PubChem:CID90201959
|
Local ready
Direct docking supported
|
|
E3L021663
BDB021663
|
US10300074, Compd 17
CN[C@@H](C)C(=O)N[C@H]1CCCNC2CCC(C(=O)Nc3cccc4ccccc34)N2C1=O
|
C24H31N5O3 437.544000 |
SGCOICSZDJXTOO-SGRCFUTNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518275; PubChem:CID90201999
|
Local ready
Direct docking supported
|
|
E3L021664
BDB021664
|
US10300074, Compd 18
CC(=O)N(C)[C@@H](C)C(=O)N[C@H]1CCCN(C(C)=O)[C@H]2CCC(C(=O)Nc3cccc4ccccc34)N2C1=O
|
C28H35N5O5 521.618000 |
ILMZGDJBGWZLET-LMJNJGBBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518278; PubChem:CID90201960
|
Local ready
Direct docking supported
|
|
E3L021665
BDB021665
|
BDBM518282
CN[C@@H](C)C(=O)N[C@H]1CCCN(C(C)=O)C2CCC(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C26H37N5O4 483.613000 |
GQKHBNWZSAKNGT-PEEKZLGLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM518282
|
Local ready
Direct docking supported
|
|
E3L021666
BDB021666
|
BDBM518284
CN[C@@H](C)C(=O)NC1CCO[C@H]2CC[C@H](C(=O)n3ccc4ccccc43)N2C1=O
|
C21H26N4O4 398.463000 |
MVTULAMVOISCBR-HWGXEKPZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518284; PubChem:CID126712376
|
Local ready
Direct docking supported
|
|
E3L021667
BDB021667
|
BDBM518285
CN[C@@H](C)C(=O)NC1CCO[C@H]2CC[C@@H](C(=O)n3ccc4ccccc43)N2C1=O
|
C21H26N4O4 398.463000 |
MVTULAMVOISCBR-FIXJOCNVSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518285; PubChem:CID126712495
|
Local ready
Direct docking supported
|
|
E3L021668
BDB021668
|
US10300074, Compd 24
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C23H32N4O3S 444.601000 |
GRPYHMFJRWZUEE-JVYSIHQFSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518286; PubChem:CID76071234
|
Local ready
Direct docking supported
|
|
E3L021669
BDB021669
|
US10300074, Compd 28
CN[C@@H](C)C(=O)N[C@H]1CCN[C@H]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C23H33N5O3 427.549000 |
YYQVMLJSZUXZFS-LREMNVJNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518307; PubChem:CID76071474
|
Local ready
Direct docking supported
|
|
E3L021670
BDB021670
|
US10300074, Compd 40
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(C(=O)Nc3ccccc3SSc3ccccc3NC(=O)C3N4C(=O)[C@@H](NC(=O)[C@H](C)NC)CCO[C@H]4CC3(C)C)N2C1=O
|
C42H58N8O8S2 867.108000 |
AIFGCTVCICYJCY-PZMKEKQBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518375; PubChem:CID118467932
|
Local ready
Direct docking supported
|
|
E3L021671
BDB021671
|
US10300074, Compd 41
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CCCC(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C24H34N4O3S 458.628000 |
FWUVYMSKIZICRV-ADURKJLDSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518376; PubChem:CID90201642
|
Local ready
Direct docking supported
|
|
E3L021672
BDB021672
|
US10300074, Compd 42
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CC=CC3)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H36N4O4 480.609000 |
RSJCHSVTXILJJN-CFLMPHEOSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM518377; PubChem:CID76071592
|
Local ready
Direct docking supported
|
|
E3L021673
BDB021673
|
US10300074, Compd 43
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC3(CCCC3)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H38N4O4 482.625000 |
OXRCNGFIXLNXEZ-CFLMPHEOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518378; PubChem:CID76071593
|
Local ready
Direct docking supported
|
|
E3L021674
BDB021674
|
BDBM518379
CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)c(O)c2[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C30H38N4O5 534.657000 |
OTQFBRPMPBAKHR-GIFDSYCTSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB
BindingDB:BDBM518379
|
Local ready
Direct docking supported
|
|
E3L021675
BDB021675
|
US10300074, Compd 45
CN[C@@H](C)C(=O)N[C@H]1Cc2ccc(O)cc2[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C30H38N4O4 518.658000 |
WWSXHSXXXOEQKI-UQFYKGKHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM518381; PubChem:CID118467925
|
Local ready
Direct docking supported
|
|
E3L021676
BDB021676
|
BDBM518384
CN[C@@H](C)C(=O)N[C@H]1Cc2cccc(O)c2[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C30H38N4O4 518.658000 |
MCFVXTPYAYIVLS-UZHXMYFXSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB
BindingDB:BDBM518384
|
Local ready
Direct docking supported
|
|
E3L021677
BDB021677
|
BDBM518647
C=CS(=O)(=O)NCc1cccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CCN(C(C)CCC)CC2)c1
|
C28H37F3N4O3S 566.690000 |
ULBGOIDSQRPGGB-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM518647; PubChem:CID126711234
|
Local ready
Direct docking supported
|
|
E3L021678
BDB021678
|
BDBM518656
C=CS(=O)(=O)NCc1ccccc1CN(C(=O)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)CCC)CC1
|
C28H37F3N4O3S 566.690000 |
OVTPIKSOYNERRX-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM518656; PubChem:CID126711691
|
Local ready
Direct docking supported
|
|
E3L021679
BDB021679
|
BDBM518671
C=CC(=O)NCc1cccc(CN(C(=O)Nc2cccc(C(F)(F)F)c2)C2CCN(C(C)CCC)CC2)c1
|
C29H37F3N4O2 530.635000 |
UYAXKQSIPIRUIU-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM518671; PubChem:CID126711177
|
Local ready
Direct docking supported
|
|
E3L021680
BDB021680
|
US11116757, No. A9
CCCC(C)N1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
|
C25H31Cl2N3O3 492.447000 |
ROACSIXZYVSNFS-UHFFFAOYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM518705; PubChem:CID126711304
|
Local ready
Direct docking supported
|