| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052101
BDB052101
|
BDBM50313117
O=C1N=C(S)SC1=Cc1ccc(OCCCN2CCCCC2)cc1
|
C18H22N2O2S2 362.520000 |
IWHWCNPQWQHGCP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50313117
|
Local ready
Direct docking supported
|
|
E3L052102
BDB052102
|
BDBM50313604
O=Nc1c(C2C(=O)Nc3ccc(F)cc32)[nH]c2ccccc12
|
C16H10FN3O2 295.273000 |
XEIDGVAXPPRCTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50313604; PubChem:CID91937064
|
Local ready
Direct docking supported
|
|
E3L052103
BDB052103
|
PP121
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1
|
C17H17N7 319.372000 |
NVRXTLZYXZNATH-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50313645; PubChem:CID24905142
|
Local ready
Direct docking supported
|
|
E3L052104
BDB052104
|
BDBM50314044
O=C(O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S
|
C13H9Cl2NO3S2 362.259000 |
CNGJMAUHDZUGMC-BJMVGYQFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314044; PubChem:CID1201193
|
Local ready
Direct docking supported
|
|
E3L052105
BDB052105
|
BDBM50314045
Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1
|
C21H19NO4S2 413.520000 |
WSADNYYSESYYNB-LDADJPATSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314045; PubChem:CID1543988
|
Local ready
Direct docking supported
|
|
E3L052106
BDB052106
|
BDBM50314446
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)cs1)C1CCCCC1
|
C25H34N4O2S 454.640000 |
MMDIHBJNYISZAS-HSQYWUDLSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314446; PubChem:CID46884409
|
Local ready
Direct docking supported
|
|
E3L052107
BDB052107
|
BDBM50314447
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C(C)(C)C
|
C27H34N4O2S 478.662000 |
GYYAJGUBSPVKPD-PDIWNELESA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314447; PubChem:CID46884410
|
Local ready
Direct docking supported
|
|
E3L052108
BDB052108
|
BDBM50314448
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C1CCCCC1
|
C29H36N4O2S 504.700000 |
OWHXKYSKEROHGU-CNVLFFCLSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314448; PubChem:CID44820626
|
Local ready
Direct docking supported
|
|
E3L052109
BDB052109
|
BDBM50314449
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)cs1)C1CCOCC1
|
C28H34N4O3S 506.672000 |
YXGUDIMUDRFJGV-WDNCENIBSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314449; PubChem:CID46884435
|
Local ready
Direct docking supported
|
|
E3L052110
BDB052110
|
BDBM50314451
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(F)c3ccccc23)cs1)C1CCOCC1
|
C28H33FN4O3S 524.662000 |
PDPPXLVUFNSPHS-HDBFHEOPSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314451; PubChem:CID11497354
|
Local ready
Direct docking supported
|
|
E3L052111
BDB052111
|
BDBM50314452
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc23)cs1)C1CCCCC1
|
C28H35N5O2S 505.688000 |
GXPYWYRUTUBCTI-WDNCENIBSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314452; PubChem:CID46884474
|
Local ready
Direct docking supported
|
|
E3L052112
BDB052112
|
BDBM50314453
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc23)cs1)C(C)(C)C
|
C26H33N5O2S 479.650000 |
UFYBRZNLJSOXHH-WQTXXOFMSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314453; PubChem:CID46884475
|
Local ready
Direct docking supported
|
|
E3L052113
BDB052113
|
BDBM50314454
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2coc3ccccc23)cs1)C1CCCCC1
|
C27H34N4O3S 494.661000 |
ZUMLKIWDRBKBKC-OWSXEPHWSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314454; PubChem:CID46884476
|
Local ready
Direct docking supported
|
|
E3L052114
BDB052114
|
BDBM50314455
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2noc3ccccc23)cs1)C1CCCCC1
|
C26H33N5O3S 495.649000 |
YNQNHLWGHBFRFI-BUKVSMQUSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314455; PubChem:CID46884477
|
Local ready
Direct docking supported
|
|
E3L052115
BDB052115
|
BDBM50314456
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2csc3ccccc23)cs1)C(C)(C)C
|
C25H32N4O2S2 484.691000 |
HWMAQQOTQITGBH-PAXLWEDBSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314456; PubChem:CID46884520
|
Local ready
Direct docking supported
|
|
E3L052116
BDB052116
|
BDBM50314457
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)c(F)s1)C1CCOCC1
|
C28H33FN4O3S 524.662000 |
WPUCUMPNTFVXFM-RTFZILSDSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314457; PubChem:CID46884521
|
Local ready
Direct docking supported
|
|
E3L052117
BDB052117
|
BDBM50314458
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)c(Cl)s1)C1CCCCC1
|
C29H35ClN4O2S 539.145000 |
ZQUTYGKFEAAOSB-NWVWQQAFSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314458; PubChem:CID46884522
|
Local ready
Direct docking supported
|
|
E3L052118
BDB052118
|
BDBM50314459
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cccc3ccccc23)c(C#N)s1)C1CCOCC1
|
C29H33N5O3S 531.682000 |
AHPDFXKGRWZGMR-WYRQLCSISA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50314459; PubChem:CID46884523
|
Local ready
Direct docking supported
|
|
E3L052119
BDB052119
|
BDBM50314460
C#Cc1sc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCOCC2)nc1-c1cccc2ccccc12
|
C30H34N4O3S 530.694000 |
BZDYRZYNAGDZCS-YLORPAJWSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314460; PubChem:CID46883825
|
Local ready
Direct docking supported
|
|
E3L052120
BDB052120
|
BDBM50314461
CC#Cc1sc([C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C2CCOCC2)nc1-c1cccc2ccccc12
|
C31H36N4O3S 544.721000 |
WOZSGFALNANZEC-OICBGKIFSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM50314461; PubChem:CID46883826
|
Local ready
Direct docking supported
|