| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061361
BDB061361
|
BDBM50581045
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccccc4)C3)n2)CC1
|
C25H33N9O 475.601000 |
GCZPPJOBDUTCTF-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581045; PubChem:CID166635377
|
Local ready
Direct docking supported
|
|
E3L061362
BDB061362
|
BDBM50581046
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4)C3)n2)CC1
|
C25H32ClN9O 510.046000 |
DGNPHPXNXWUWCV-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581046; PubChem:CID166629384
|
Local ready
Direct docking supported
|
|
E3L061363
BDB061363
|
BDBM50581047
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4Cl)C3)n2)CC1
|
C25H31Cl2N9O 544.491000 |
BKQVECVHPZIFDK-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581047; PubChem:CID166635365
|
Local ready
Direct docking supported
|
|
E3L061364
BDB061364
|
BDBM50581048
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4C)C3)n2)CC1
|
C26H34ClN9O 524.073000 |
PTNRDGQFAJGLHI-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581048; PubChem:CID166632477
|
Local ready
Direct docking supported
|
|
E3L061365
BDB061365
|
BDBM50581049
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)c(F)c4)C3)n2)CC1
|
C25H31ClFN9O 528.036000 |
WJDSHQAWGDCTKV-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581049; PubChem:CID166630191
|
Local ready
Direct docking supported
|
|
E3L061366
BDB061366
|
BDBM50581050
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)c(C)c4)C3)n2)CC1
|
C26H34ClN9O 524.073000 |
SLPOXUOZANBTLI-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581050; PubChem:CID166630867
|
Local ready
Direct docking supported
|
|
E3L061367
BDB061367
|
BDBM50581051
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4cc(Cl)ccc4F)C3)n2)CC1
|
C25H31ClFN9O 528.036000 |
RFTLWULOUYPWBT-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581051; PubChem:CID166627633
|
Local ready
Direct docking supported
|
|
E3L061368
BDB061368
|
BDBM50581052
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)cc4F)C3)n2)CC1
|
C25H31ClFN9O 528.036000 |
YFIGOXZDFNSYNP-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581052; PubChem:CID164120834
|
Local ready
Direct docking supported
|
|
E3L061369
BDB061369
|
BDBM50581053
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(C(F)(F)F)cc4F)C3)n2)CC1
|
C26H31F4N9O 561.588000 |
YVWJBZVZSGDVLG-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581053; PubChem:CID166626124
|
Local ready
Direct docking supported
|
|
E3L061370
BDB061370
|
BDBM50581054
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4c(F)cc(Cl)cc4F)C3)n2)CC1
|
C25H30ClF2N9O 546.026000 |
UWOFEBPCXFGXOA-KRWDZBQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581054; PubChem:CID166625871
|
Local ready
Direct docking supported
|
|
E3L061371
BDB061371
|
BDBM50581055
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4cc(F)c(Cl)cc4F)C3)n2)CC1
|
C25H30ClF2N9O 546.026000 |
PCZOHVPDZIKPSZ-INIZCTEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581055; PubChem:CID166628460
|
Local ready
Direct docking supported
|
|
E3L061372
BDB061372
|
BDBM50581056
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)c(F)c4F)C3)n2)CC1
|
C25H30ClF2N9O 546.026000 |
KMWLQLWCWDKMIQ-INIZCTEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581056; PubChem:CID166630557
|
Local ready
Direct docking supported
|
|
E3L061373
BDB061373
|
BDBM50581057
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4cc(F)c(Cl)c(F)c4)C3)n2)CC1
|
C25H30ClF2N9O 546.026000 |
ZUQVWIKXIKKIGO-KRWDZBQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581057; PubChem:CID166626840
|
Local ready
Direct docking supported
|
|
E3L061374
BDB061374
|
BDBM50581058
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4cc(F)c(F)cc4F)C3)n2)CC1
|
C25H30F3N9O 529.571000 |
JDCCZLMDFSYUTI-INIZCTEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581058; PubChem:CID166630601
|
Local ready
Direct docking supported
|
|
E3L061375
BDB061375
|
BDBM50581059
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(C(=O)c4ccc(Cl)nc4F)C3)n2)CC1
|
C24H30ClFN10O 529.024000 |
GQYRFCYHDYXRDA-INIZCTEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581059; PubChem:CID166634220
|
Local ready
Direct docking supported
|
|
E3L061376
BDB061376
|
BDBM50581060
CCN1CCN(c2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3CCN(S(=O)(=O)c4ccc(Cl)cc4F)C3)n2)CC1
|
C24H31ClFN9O2S 564.091000 |
FGKPJQMABSZHDA-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50581060; PubChem:CID166627444
|
Local ready
Direct docking supported
|
|
E3L061377
BDB061377
|
BDBM50581147
CN1CCN(c2cc(F)c(-c3ccc(C(=O)N(C)C)cc3)cc2Nc2ncnc(Cl)c2N)CC1
|
C24H27ClFN7O 483.979000 |
LXONEMNSYOAQJT-UHFFFAOYSA-N | P61964, Q03164 | Histone-lysine N-methyltransferase 2A, WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50581147; PubChem:CID145926792
|
Local ready
Direct docking supported
|
|
E3L061378
BDB061378
|
BDBM50581211
Cc1nc(NCc2c(F)cccc2F)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C19H16F2N6 366.375000 |
KYOPCGIPHGGWMV-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581211; PubChem:CID135283800
|
Local ready
Direct docking supported
|
|
E3L061379
BDB061379
|
BDBM50581212
Cc1nc(NCc2c(F)cccc2F)c2c(-c3ccnc(N)n3)c[nH]c2n1
|
C18H15F2N7 367.363000 |
HAPIHWIYVZOFQR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581212; PubChem:CID135283793
|
Local ready
Direct docking supported
|
|
E3L061380
BDB061380
|
BDBM50581213
Cc1nc(NCc2ncccc2F)c2c(-c3ccnc(N)c3)c[nH]c2n1
|
C18H16FN7 349.373000 |
MGEGGAFJSKMJJD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50581213; PubChem:CID135283790
|
Local ready
Direct docking supported
|