| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057421
BDB057421
|
BDBM50468632
Cc1nn(C(=O)[C@H](C)c2ccc(CC(C)C)cc2)c(C)c1Cl
|
C18H23ClN2O 318.848000 |
RFAYOJJBVSPOFY-GFCCVEGCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468632; PubChem:CID145987231
|
Local ready
Direct docking supported
|
|
E3L057422
BDB057422
|
4-Chloro-3,5-dimethylpyrazolyl 4-pyridyl ketone
Cc1nn(C(=O)c2ccncc2)c(C)c1Cl
|
C11H10ClN3O 235.674000 |
YCKMMEWZFSKOHG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468633; PubChem:CID1223927
|
Local ready
Direct docking supported
|
|
E3L057423
BDB057423
|
(4-Aminophenyl)-(3,5-dimethylpyrazol-1-yl)methanone
Cc1cc(C)n(C(=O)c2ccc(N)cc2)n1
|
C12H13N3O 215.256000 |
IXPFDWBGURNACA-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468634; PubChem:CID13224102
|
Local ready
Direct docking supported
|
|
E3L057424
BDB057424
|
BDBM50468635
Cc1ccc(Oc2c(C)nn(C(=O)c3ccc(N)cc3)c2C)cc1
|
C19H19N3O2 321.380000 |
LYKACYGNLIPXJZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468635; PubChem:CID145992560
|
Local ready
Direct docking supported
|
|
E3L057425
BDB057425
|
BDBM50468636
Cc1nn(C(=O)c2ccc3ccccc3c2)c(C)c1Cl
|
C16H13ClN2O 284.746000 |
UACABVLDFJEHQH-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468636; PubChem:CID145990949
|
Local ready
Direct docking supported
|
|
E3L057426
BDB057426
|
BDBM50468637
Cc1cccc(C(=O)n2nc(C)c(Cl)c2C)c1
|
C13H13ClN2O 248.713000 |
LEXOESGVGRGFHO-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468637; PubChem:CID145993905
|
Local ready
Direct docking supported
|
|
E3L057427
BDB057427
|
BDBM50468638
Cc1ccc(Oc2c(C)nn(C(=O)c3ccc(Cl)cc3)c2C)cc1
|
C19H17ClN2O2 340.810000 |
YOHYRFFFGAVVED-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468638; PubChem:CID145992946
|
Local ready
Direct docking supported
|
|
E3L057428
BDB057428
|
BDBM50468639
Cc1nn(C(=O)/C=C/c2ccccc2)c(C)c1Cl
|
C14H13ClN2O 260.724000 |
ZQFLVBLKQSPDOE-CMDGGOBGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50468639; PubChem:CID132584225
|
Local ready
Direct docking supported
|
|
E3L057429
BDB057429
|
BDBM50468911
O=C1CNCC(C(=O)NCCn2nc(-c3ccccc3)ccc2=O)N1
|
C17H19N5O3 341.371000 |
MJAAMAZLRWAXMK-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50468911; PubChem:CID56877138
|
Local ready
Direct docking supported
|
|
E3L057430
BDB057430
|
BDBM50469171
CN1CCN(c2ccc3c(Nc4cc[nH]n4)nc(-c4ccccc4)nc3c2)CC1
|
C22H23N7 385.475000 |
ZKKMELUMPUJDFZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469171; PubChem:CID145993112
|
Local ready
Direct docking supported
|
|
E3L057431
BDB057431
|
BDBM50469172
Cc1cc(Nc2nc(C(C)C)nc3ccccc23)n[nH]1
|
C15H17N5 267.336000 |
XKXBEQSWBVNSHO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469172; PubChem:CID145987254
|
Local ready
Direct docking supported
|
|
E3L057432
BDB057432
|
BDBM50469173
Cc1cc(Nc2nc(-c3ccccc3)nc3cc(Cl)ccc23)n[nH]1
|
C18H14ClN5 335.798000 |
XTSRHTKBGVHHDQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469173; PubChem:CID145980665
|
Local ready
Direct docking supported
|
|
E3L057433
BDB057433
|
BDBM50469174
Cc1cc(Nc2nc(-c3ccccc3)nc3cc([N+](=O)[O-])ccc23)n[nH]1
|
C18H14N6O2 346.350000 |
PPLFGFPGFPCCMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469174; PubChem:CID141483896
|
Local ready
Direct docking supported
|
|
E3L057434
BDB057434
|
BDBM50469175
CCOC(=O)C1CCN(c2ccc3c(Nc4cc(C)[nH]n4)nc(-c4ccccc4)nc3c2)CC1
|
C26H28N6O2 456.550000 |
JYWBPBWVUMVNAE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469175; PubChem:CID145981787
|
Local ready
Direct docking supported
|
|
E3L057435
BDB057435
|
BDBM50469176
COc1cccc(OC)c1C(=O)c1nc(Nc2cc(C)[nH]n2)c2ccc(N3CCC(C(=O)OC(C)(C)C)CC3)cc2n1
|
C31H36N6O5 572.666000 |
IAJRJXXBBVLDQQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469176; PubChem:CID145984157
|
Local ready
Direct docking supported
|
|
E3L057436
BDB057436
|
BDBM50469177
COc1cccc2c(Nc3cc(C)[nH]n3)nc(Cc3ccccc3)nc12
|
C20H19N5O 345.406000 |
BSHZWUFSCCYMIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469177; PubChem:CID145987787
|
Local ready
Direct docking supported
|
|
E3L057437
BDB057437
|
BDBM50469178
Cc1cc(Nc2nc(C(=O)c3ccccc3)nc3ccccc23)n[nH]1
|
C19H15N5O 329.363000 |
KKGNBWKFSREBTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469178; PubChem:CID141483894
|
Local ready
Direct docking supported
|
|
E3L057438
BDB057438
|
BDBM50469179
Cc1cc(Nc2nc(-c3ccccc3)nc3cc(N4CCC(C(=O)O)CC4)ccc23)n[nH]1
|
C24H24N6O2 428.496000 |
HCNZXJZRFQSKII-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469179; PubChem:CID145991373
|
Local ready
Direct docking supported
|
|
E3L057439
BDB057439
|
BDBM50469180
Cc1cc(Nc2nc(-c3ccccc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H25N7 399.502000 |
GBMDFZRFAMTRLI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469180; PubChem:CID145988550
|
Local ready
Direct docking supported
|
|
E3L057440
BDB057440
|
BDBM50469181
Cc1cc(Nc2nc(-c3ccccc3)nc3cc(F)ccc23)n[nH]1
|
C18H14FN5 319.343000 |
JTBSURFUXQFMSP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50469181; PubChem:CID145986550
|
Local ready
Direct docking supported
|