| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017361
BDB017361
|
BDBM387220
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1cccc(F)c1F
|
C25H20F2N4O2 446.457000 |
GHEUKYFTKLJKCB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387220; PubChem:CID58564259
|
Local ready
Direct docking supported
|
|
E3L017362
BDB017362
|
BDBM387221
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCN(Cc2ccccc2)C4)cc1)c1ccc(F)c(C(F)(F)F)c1
|
C32H25F4N5O2 587.577000 |
NWLGTAMKMVSRNS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387221; PubChem:CID58564250
|
Local ready
Direct docking supported
|
|
E3L017363
BDB017363
|
BDBM387222
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCN(Cc2ccccc2)C4)cc1)c1ccccc1
|
C31H27N5O2 501.590000 |
HAAGMUVDMARGDH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387222; PubChem:CID58564249
|
Local ready
Direct docking supported
|
|
E3L017364
BDB017364
|
BDBM387223
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1ccc(F)cc1C(F)(F)F
|
C26H20F4N4O2 496.464000 |
UYZRNPFHBIYGFW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387223; PubChem:CID58564254
|
Local ready
Direct docking supported
|
|
E3L017365
BDB017365
|
BDBM387224
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1ccccc1
|
C25H22N4O2 410.477000 |
UWGKXHNAXBGYKC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387224; PubChem:CID58564225
|
Local ready
Direct docking supported
|
|
E3L017366
BDB017366
|
BDBM387225
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1)c1ccccc1
|
C23H16N4O3 396.406000 |
ZXPJJIWBIVGQSO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387225; PubChem:CID58564240
|
Local ready
Direct docking supported
|
|
E3L017367
BDB017367
|
9-Phenylamino-5H-furo[3,2-c][1,8]naphthyridin-4-one
O=c1[nH]c2nccc(Nc3ccccc3)c2c2occc12
|
C16H11N3O2 277.283000 |
RXERALKQELAEBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387226; PubChem:CID58564258
|
Local ready
Direct docking supported
|
|
E3L017368
BDB017368
|
BDBM387227
O=c1[nH]c2nccc(Nc3ccc(Cl)cc3)c2c2occc12
|
C16H10ClN3O2 311.728000 |
WJTJBXCCDALTRN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387227; PubChem:CID58564234
|
Local ready
Direct docking supported
|
|
E3L017369
BDB017369
|
BDBM387228
COc1cccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)c1
|
C17H13N3O3 307.309000 |
MCSXIEVZQSGRJD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387228; PubChem:CID58564227
|
Local ready
Direct docking supported
|
|
E3L017370
BDB017370
|
BDBM387229
COc1ccc(Nc2ccnc3[nH]c(=O)c4ccoc4c23)cc1
|
C17H13N3O3 307.309000 |
IGXYKNFZOKAVJY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387229; PubChem:CID58564229
|
Local ready
Direct docking supported
|
|
E3L017371
BDB017371
|
BDBM387230
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)c(F)c1)c1ccc(F)cc1C(F)(F)F
|
C26H19F5N4O2 514.454000 |
KVJYAJCMRIOOQB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387230; PubChem:CID67414922
|
Local ready
Direct docking supported
|
|
E3L017372
BDB017372
|
BDBM387231
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)c(F)c1)c1cccc(F)c1
|
C25H20F2N4O2 446.457000 |
SPOBZGVDOSCVGR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387231; PubChem:CID70870978
|
Local ready
Direct docking supported
|
|
E3L017373
BDB017373
|
BDBM387232
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1F)c1ccc(F)cc1C(F)(F)F
|
C26H19F5N4O2 514.454000 |
QZCBYZPWBXBBAC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387232; PubChem:CID67414015
|
Local ready
Direct docking supported
|
|
E3L017374
BDB017374
|
BDBM387233
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)c(F)c1)c1ccc(F)c(F)c1
|
C25H19F3N4O2 464.447000 |
GBLKFFKTVCCWAG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387233; PubChem:CID67414280
|
Local ready
Direct docking supported
|
|
E3L017375
BDB017375
|
BDBM387234
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)c(F)c1)c1cccc(F)c1F
|
C25H19F3N4O2 464.447000 |
QBADTYXWMSBHMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387234; PubChem:CID67413883
|
Local ready
Direct docking supported
|
|
E3L017376
BDB017376
|
US10300074, Compd 27
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2c3ccccc3C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C27H32N4O4 476.577000 |
SRRKQOXMYDWYGT-MVCZWWRHSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM391804; PubChem:CID90201950
|
Local ready
Direct docking supported
|
|
E3L017377
BDB017377
|
BDBM391805
CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C25H36N4O4 456.587000 |
PBGOFGSVVXGJCA-DUDGCXMLSA-N | P98170, Q96CA5 | Baculoviral IAP repeat-containing protein 7, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391805; PubChem:CID118478152
|
Local ready
Direct docking supported
|
|
E3L017378
BDB017378
|
US10300074, Compd 35
CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C25H36N4O3S 472.655000 |
IIXXVAXNYFQXST-DUDGCXMLSA-N | P98170, Q96CA5 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 7 |
BindingDB, PubChem
BindingDB:BDBM391806; PubChem:CID74538665
|
Local ready
Direct docking supported
|
|
E3L017379
BDB017379
|
BDBM391807
CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(C(=O)Nc3ccc(OC)cc3)N2C1=O
|
C19H26N4O5 390.440000 |
NBMUDTIUNPDSAM-OLSVDGPUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391807; PubChem:CID90201990
|
Local ready
Direct docking supported
|
|
E3L017380
BDB017380
|
BDBM391809
CN[C@@H](C)C(=O)N[C@H]1CO[C@H]2CCC(C(=O)NCc3ccccc3)N2C1=O
|
C19H26N4O4 374.441000 |
JVKFFBGNOJIZCH-IIQYYHDJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM391809; PubChem:CID90190770
|
Local ready
Direct docking supported
|