| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056321
BDB056321
|
BDBM50441348
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
|
C26H29N3O3 431.536000 |
PACPNZXRYSXEIY-JTSKRJEESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50441348; PubChem:CID72712559
|
Local ready
Direct docking supported
|
|
E3L056322
BDB056322
|
BDBM50441349
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C26H29N3O2 415.537000 |
RWTGSAXSZXQBRM-MBSDFSHPSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50441349; PubChem:CID72712340
|
Local ready
Direct docking supported
|
|
E3L056323
BDB056323
|
BDBM50441350
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc(C)c3ccccc23)C1=O
|
C26H29N3O2 415.537000 |
NEWXWFKQKHOKBT-MBSDFSHPSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50441350; PubChem:CID72712338
|
Local ready
Direct docking supported
|
|
E3L056324
BDB056324
|
BDBM50441351
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccc3ccccc23)C1=O
|
C25H27N3O2 401.510000 |
QERVKMZSJHVORT-JTSKRJEESA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50441351; PubChem:CID72712336
|
Local ready
Direct docking supported
|
|
E3L056325
BDB056325
|
BDBM50441352
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccc3ccccc3c2)C1=O
|
C25H27N3O2 401.510000 |
JUOBXXAHUKKUOI-JTSKRJEESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441352; PubChem:CID72712334
|
Local ready
Direct docking supported
|
|
E3L056326
BDB056326
|
BDBM50441353
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(CCc2ccccc2)C1=O
|
C22H27N3O2 365.477000 |
JYYUDJWYURZBGU-LPHOPBHVSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50441353; PubChem:CID72712332
|
Local ready
Direct docking supported
|
|
E3L056327
BDB056327
|
BDBM50441354
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2ccccc2)C1=O
|
C21H25N3O2 351.450000 |
NIMNBTWLFJGSNJ-YJBOKZPZSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50441354; PubChem:CID72712330
|
Local ready
Direct docking supported
|
|
E3L056328
BDB056328
|
BDBM50441355
C[C@H](N)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21
|
C14H19N3O2 261.325000 |
RGGHCAOKUXLARQ-CABZTGNLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441355; PubChem:CID44178407
|
Local ready
Direct docking supported
|
|
E3L056329
BDB056329
|
BDBM50441357
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CCSC2
|
C14H11F3N2OS 312.316000 |
VKSDILZMXGBZJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50441357; PubChem:CID136244504
|
Local ready
Direct docking supported
|
|
E3L056330
BDB056330
|
4'-Isopropylflavone
CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1
|
C18H16O2 264.324000 |
PYTOHIUBXSJKQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50441358; PubChem:CID2802462
|
Local ready
Direct docking supported
|
|
E3L056331
BDB056331
|
Urmc-099
CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1
|
C27H27N5 421.548000 |
QKKIWEILHCXECO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50441567; PubChem:CID54764565
|
Local ready
Direct docking supported
|
|
E3L056332
BDB056332
|
BDBM50441796
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O
|
C30H36N4O4 516.642000 |
OMGSWRKTEWFWDD-RDPSFJRHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441796; PubChem:CID72711027
|
Local ready
Direct docking supported
|
|
E3L056333
BDB056333
|
BDBM50441797
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O
|
C30H36N4O3 500.643000 |
YJFRQTOILXCRIK-OFVILXPXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441797; PubChem:CID72713610
|
Local ready
Direct docking supported
|
|
E3L056334
BDB056334
|
BDBM50441798
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(C(C)c2cccc3ccccc23)C1=O
|
C30H36N4O3 500.643000 |
DUYGVDDNRZRAPH-HAYYQKKZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441798; PubChem:CID72711025
|
Local ready
Direct docking supported
|
|
E3L056335
BDB056335
|
BDBM50441799
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(CCc2ccccc2)C1=O
|
C26H34N4O3 450.583000 |
PSGSLGLCJFCTCM-FPOVZHCZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441799; PubChem:CID72711023
|
Local ready
Direct docking supported
|
|
E3L056336
BDB056336
|
BDBM50441800
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2ccccc2)C1=O
|
C25H32N4O3 436.556000 |
IPXXXYPQWFDVHU-ICSRJNTNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441800; PubChem:CID72711021
|
Local ready
Direct docking supported
|
|
E3L056337
BDB056337
|
BDBM50441801
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
|
C29H34N4O3 486.616000 |
BLUPXWDSMIGSEC-RDPSFJRHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441801; PubChem:CID72714290
|
Local ready
Direct docking supported
|
|
E3L056338
BDB056338
|
BDBM50441802
CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2ccccc2N(Cc2cccc3ccccc23)C1=O
|
C26H28N4O3 444.535000 |
IYIIWFZSANEUHR-JTSKRJEESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441802; PubChem:CID72714288
|
Local ready
Direct docking supported
|
|
E3L056339
BDB056339
|
BDBM50441803
CN[C@@H](C)C(=O)N[C@H]1CNc2ccccc2N(Cc2cccc3ccccc23)C1=O
|
C24H26N4O2 402.498000 |
PVVQVXNDKFTIGZ-KKSFZXQISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441803; PubChem:CID72713606
|
Local ready
Direct docking supported
|
|
E3L056340
BDB056340
|
BDBM50441804
CN[C@@H](C)C(=O)N[C@H]1CN(CCC(C)C)c2ccccc2N(Cc2cccc3ccccc23)C1=O
|
C29H36N4O2 472.633000 |
HGJIBFVQRAYBID-OFVILXPXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441804; PubChem:CID72714295
|
Local ready
Direct docking supported
|