| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004641
BDB004641
|
BDBM116428
CN(CCO)CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
|
C23H26F3N5O3 477.487000 |
RJFSYEBDEDYXHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116428; PubChem:CID66763578
|
Local ready
Direct docking supported
|
|
E3L004642
BDB004642
|
BDBM116429
NC(=O)c1cc(OCCCN2CCC(O)C2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C24H26F3N5O3 489.498000 |
ABZAVSCYUMGVML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116429; PubChem:CID66763240
|
Local ready
Direct docking supported
|
|
E3L004643
BDB004643
|
BDBM116430
NC(=O)c1cc(OCCCN2CCC[C@H]2CO)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C25H28F3N5O3 503.525000 |
LTTWDGKJGMQNHP-SFHVURJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116430; PubChem:CID66764050
|
Local ready
Direct docking supported
|
|
E3L004644
BDB004644
|
BDBM116431
COC[C@@H]1CCCN1CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
|
C26H30F3N5O3 517.552000 |
ZCFAZQHPFMXORF-IBGZPJMESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116431; PubChem:CID66763338
|
Local ready
Direct docking supported
|
|
E3L004645
BDB004645
|
BDBM116432
CN1CCN(CCCOc2cc(C(N)=O)c3ncnc(NCc4ccc(C(F)(F)F)cc4)c3c2)CC1
|
C25H29F3N6O2 502.541000 |
HMUXYNLHZILXOH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116432; PubChem:CID66763228
|
Local ready
Direct docking supported
|
|
E3L004646
BDB004646
|
BDBM116433
NC(=O)c1cc(OCCCN2CCCCC2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C25H28F3N5O2 487.526000 |
JPDOHTKDIUCCPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116433; PubChem:CID66763884
|
Local ready
Direct docking supported
|
|
E3L004647
BDB004647
|
BDBM116434
NC(=O)c1cc(OCCCNCCO)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C22H24F3N5O3 463.460000 |
WTZPLLLUSQHZPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116434; PubChem:CID66763187
|
Local ready
Direct docking supported
|
|
E3L004648
BDB004648
|
BDBM116435
NCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1
|
C17H16FN5O 325.347000 |
IKONXWFEIGCAGN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116435; PubChem:CID46869251
|
Local ready
Direct docking supported
|
|
E3L004649
BDB004649
|
BDBM116436
NC(=O)c1cccc2c(NCC(O)c3ccccc3)ncnc12
|
C17H16N4O2 308.341000 |
WJTOKWCJOAQYTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116436; PubChem:CID66763234
|
Local ready
Direct docking supported
|
|
E3L004650
BDB004650
|
BDBM116437
COCCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
|
C21H21F3N4O3 434.418000 |
GJOLOIJGOFZXST-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116437; PubChem:CID66763138
|
Local ready
Direct docking supported
|
|
E3L004651
BDB004651
|
BDBM116438
COc1ccccc1C(CN)Nc1ncnc2c(C(N)=O)cccc12
|
C18H19N5O2 337.383000 |
BNCDEGOHMGKVSC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116438; PubChem:CID66763380
|
Local ready
Direct docking supported
|
|
E3L004652
BDB004652
|
BDBM116439
COc1ccccc1C(CNC(C)=O)Nc1ncnc2c(C(N)=O)cccc12
|
C20H21N5O3 379.420000 |
AJJYRLVECZPGED-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116439; PubChem:CID66763999
|
Local ready
Direct docking supported
|
|
E3L004653
BDB004653
|
BDBM116440
COc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1OC
|
C19H21N5O3 367.409000 |
SGZFLJKVODZGJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116440; PubChem:CID46869252
|
Local ready
Direct docking supported
|
|
E3L004654
BDB004654
|
4-(4-Benzamidoanilino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc12
|
C22H17N5O2 383.411000 |
COLCCXMIWNNAQX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116441; PubChem:CID66763403
|
Local ready
Direct docking supported
|
|
E3L004655
BDB004655
|
4-(Benzylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3ccccc3)ncnc12
|
C16H14N4O 278.315000 |
SLZGHLVKUFSFBL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116442; PubChem:CID66763282
|
Local ready
Direct docking supported
|
|
E3L004656
BDB004656
|
4-(3-Ethynylanilino)quinazoline-8-carboxamide
C#Cc1cccc(Nc2ncnc3c(C(N)=O)cccc23)c1
|
C17H12N4O 288.310000 |
MWQPIZOIRUTGLF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116443; PubChem:CID77014376
|
Local ready
Direct docking supported
|
|
E3L004657
BDB004657
|
4-(3-Bromoanilino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(Nc3cccc(Br)c3)ncnc12
|
C15H11BrN4O 343.184000 |
UMDLAHFDUNFIFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116444; PubChem:CID66762245
|
Local ready
Direct docking supported
|
|
E3L004658
BDB004658
|
4-(3-Chloro-4-fluoroanilino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(Nc3ccc(F)c(Cl)c3)ncnc12
|
C15H10ClFN4O 316.723000 |
VABBMMIPDSWANM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116445; PubChem:CID66763735
|
Local ready
Direct docking supported
|
|
E3L004659
BDB004659
|
BDBM116446
NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12
|
C16H13FN4O 296.305000 |
KCAURAAIHCEWSW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116446; PubChem:CID66763628
|
Local ready
Direct docking supported
|
|
E3L004660
BDB004660
|
BDBM116447
COc1ccc(CCNc2ncnc3c(C(N)=O)cccc23)cc1
|
C18H18N4O2 322.368000 |
SXCFIKZOGOVFKO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116447; PubChem:CID66762533
|
Local ready
Direct docking supported
|