| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000201
BDB000201
|
BDBM13204
CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O
|
C20H28N4O3 372.469000 |
GKPMRGORHINVPF-QAETUUGQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13204; PubChem:CID11440194
|
Local ready
Direct docking supported
|
|
E3L000202
BDB000202
|
BDBM13205
CCC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O
|
C21H30N4O3 386.496000 |
SIHYEEZRRRKAID-XSLAGTTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13205; PubChem:CID11153398
|
Local ready
Direct docking supported
|
|
E3L000203
BDB000203
|
BDBM13206
CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O
|
C21H30N4O3 386.496000 |
QWLIXQAEMNLCQR-XSLAGTTESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13206; PubChem:CID11474659
|
Local ready
Direct docking supported
|
|
E3L000204
BDB000204
|
BDBM13207
C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)Nc3ccccc3)N2C1=O
|
C18H24N4O3 344.415000 |
XZLVUDTWCKTORR-MXAVVETBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13207; PubChem:CID11279382
|
Local ready
Direct docking supported
|
|
E3L000205
BDB000205
|
BDBM13208
C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCCc3ccccc3)N2C1=O
|
C20H28N4O3 372.469000 |
YTLXVGUAOHXKBQ-HJWJTTGWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13208; PubChem:CID11474224
|
Local ready
Direct docking supported
|
|
E3L000206
BDB000206
|
BDBM13209
C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C25H30N4O3 434.540000 |
CDMWMGBMHRDILL-FIRPJDEBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13209; PubChem:CID11166423
|
Local ready
Direct docking supported
|
|
E3L000207
BDB000207
|
BDBM13210
CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C26H32N4O3 448.567000 |
VWDMCRIMEONDMI-CMOCDZPBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13210; PubChem:CID23646362
|
Local ready
Direct docking supported
|
|
E3L000208
BDB000208
|
BDBM13211
CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C27H34N4O3 462.594000 |
XWYMWLGPGRAJLM-MLCQCVOFSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM13211; PubChem:CID11225031
|
Local ready
Direct docking supported
|
|
E3L000209
BDB000209
|
BDBM13212
CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C28H36N4O3 476.621000 |
UKNQPDHAXSCGKL-ZJZGAYNASA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM13212; PubChem:CID11518553
|
Local ready
Direct docking supported
|
|
E3L000210
BDB000210
|
BDBM13213
CC[C@@H](C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O)N(C)C
|
C29H38N4O3 490.648000 |
CKOYRIROPKBZLR-QORCZRPOSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13213; PubChem:CID11562245
|
Local ready
Direct docking supported
|
|
E3L000211
BDB000211
|
BDBM13214
C[C@H](O)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C26H31N3O4 449.551000 |
BWLUJLRDIKFWLK-MQGJPIDWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM13214; PubChem:CID16099367
|
Local ready
Direct docking supported
|
|
E3L000212
BDB000212
|
Dasatinib
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
|
C22H26ClN7O2S 488.017000 |
ZBNZXTGUTAYRHI-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM13216; PubChem:CID3062316
|
Local ready
Direct docking supported
|
|
E3L000213
BDB000213
|
Sb-203580
C[S+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1
|
C21H16FN3OS 377.444000 |
CDMGBJANTYXAIV-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM13336; PubChem:CID176155
|
Local ready
Direct docking supported
|
|
E3L000214
BDB000214
|
Imatinib
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
|
C29H31N7O 493.615000 |
KTUFNOKKBVMGRW-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM13530; PubChem:CID5291
|
Local ready
Direct docking supported
|
|
E3L000215
BDB000215
|
Sb-202190
Oc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1
|
C20H14FN3O 331.350000 |
QHKYPYXTTXKZST-UHFFFAOYSA-N | O14965, O95835 | Serine/threonine-protein kinase LATS1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM13531; PubChem:CID5169
|
Local ready
Direct docking supported
|
|
E3L000216
BDB000216
|
Doramapimod
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
|
C31H37N5O3 527.669000 |
MVCOAUNKQVWQHZ-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM13533; PubChem:CID156422
|
Local ready
Direct docking supported
|
|
E3L000217
BDB000217
|
Tozasertib
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)[nH]n1
|
C23H28N8OS 464.599000 |
GCIKSSRWRFVXBI-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM13534; PubChem:CID5494449
|
Local ready
Direct docking supported
|
|
E3L000218
BDB000218
|
Tandutinib
COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1
|
C31H42N6O4 562.715000 |
UXXQOJXBIDBUAC-UHFFFAOYSA-N | O14965, O43172, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1, U4/U6 small nuclear ribonucleoprotein Prp4, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Aurora kinase A, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM13535; PubChem:CID3038522
|
Local ready
Direct docking supported
|
|
E3L000219
BDB000219
|
BDBM14192
O=C(O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1
|
C19H20N4O2 336.395000 |
DWOLUZVOAOPIIX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM14192; PubChem:CID23646627
|
Local ready
Direct docking supported
|
|
E3L000220
BDB000220
|
BDBM14210
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
|
C29H31N5O4 513.598000 |
OGNYUTNQZVRGMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM14210; PubChem:CID9914412
|
Local ready
Direct docking supported
|