| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051701
BDB051701
|
BDBM50307509
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)C4CCN(S(=O)(=O)c5ccccc5)CC4)CC3)nc1-2
|
C29H36N8O4S 592.726000 |
DLFAVSIXCMXECW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307509; PubChem:CID46233289
|
Local ready
Direct docking supported
|
|
E3L051702
BDB051702
|
BDBM50307510
Cn1nc(C(=O)N(O)C2CCCCC2)c2c1-c1nc(NC3CCCC3)ncc1CC2
|
C22H30N6O2 410.522000 |
ALXPUKLGPACDFZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307510; PubChem:CID45139428
|
Local ready
Direct docking supported
|
|
E3L051703
BDB051703
|
BDBM50307511
NC(=O)c1nn(-c2ccccc2)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C21H22N6O 374.448000 |
BNBOPMICSCGSGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307511; PubChem:CID45139609
|
Local ready
Direct docking supported
|
|
E3L051704
BDB051704
|
BDBM50307512
Cn1nc(C(=O)N(O)Cc2ccccc2)c2c1-c1nc(NC3CCCC3)ncc1CC2
|
C23H26N6O2 418.501000 |
PYNNKMHZEUWQGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307512; PubChem:CID45139429
|
Local ready
Direct docking supported
|
|
E3L051705
BDB051705
|
BDBM50307513
Cn1nc(C(N)=O)c2c1-c1nc(NCCO)ncc1CC2
|
C13H16N6O2 288.311000 |
BTYJREGEVYGXIK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307513; PubChem:CID45142244
|
Local ready
Direct docking supported
|
|
E3L051706
BDB051706
|
BDBM50307514
Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccccn3)ncc1CC2
|
C17H17N7O 335.371000 |
ODEUXLJOADOSHS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307514; PubChem:CID45142016
|
Local ready
Direct docking supported
|
|
E3L051707
BDB051707
|
BDBM50307515
CN1CCN(C(=O)N2CCC(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)CC2)CC1
|
C22H31N9O2 453.551000 |
CUZZHCAJGYQFDT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307515; PubChem:CID45139993
|
Local ready
Direct docking supported
|
|
E3L051708
BDB051708
|
BDBM50307516
NC(=O)c1nn(CCO)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C17H22N6O2 342.403000 |
QWTLNMRLRGDLQY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307516; PubChem:CID45139613
|
Local ready
Direct docking supported
|
|
E3L051709
BDB051709
|
BDBM50307517
Cn1nc(C(N)=O)c2c1-c1nc(N)ncc1CC2
|
C11H12N6O 244.258000 |
XOSBKKVDFISERP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307517; PubChem:CID45140384
|
Local ready
Direct docking supported
|
|
E3L051710
BDB051710
|
BDBM50307518
Cn1nc(C(N)=O)c2c1-c1nc(NCCN3CCOCC3)ncc1CC2
|
C17H23N7O2 357.418000 |
IGNFICQZFLTMED-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307518; PubChem:CID45142243
|
Local ready
Direct docking supported
|
|
E3L051711
BDB051711
|
BDBM50307519
Cn1nc(C(N)=O)c2c1-c1nc(NCCN3CCCCC3)ncc1CC2
|
C18H25N7O 355.446000 |
UZVSTORNWGBKAL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307519; PubChem:CID45142245
|
Local ready
Direct docking supported
|
|
E3L051712
BDB051712
|
BDBM50307520
Cn1nc(C(N)=O)c2c1-c1nc(NC3CCCCC3)ncc1CC2
|
C17H22N6O 326.404000 |
ABEYZUJMIYFBTH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307520; PubChem:CID11416146
|
Local ready
Direct docking supported
|
|
E3L051713
BDB051713
|
BDBM50307521
CCN1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1
|
C18H25N7O 355.446000 |
YNYBKXDJIMUFAQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307521; PubChem:CID45142246
|
Local ready
Direct docking supported
|
|
E3L051714
BDB051714
|
BDBM50307522
Cn1nc(C(N)=O)c2c1-c1nc(NC3CCCC3)ncc1CC2
|
C16H20N6O 312.377000 |
VIUFPQPXJYQVSE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307522; PubChem:CID45142247
|
Local ready
Direct docking supported
|
|
E3L051715
BDB051715
|
BDBM50307523
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C17H22N6O 326.404000 |
HDNVPRNOUJXPEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307523; PubChem:CID45142248
|
Local ready
Direct docking supported
|
|
E3L051716
BDB051716
|
BDBM50307524
CC(CN(C)C)NC(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C21H31N7O 397.527000 |
QXGLBQINCBIXHY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307524; PubChem:CID45142249
|
Local ready
Direct docking supported
|
|
E3L051717
BDB051717
|
BDBM50307525
CN(C)CCN(C)C(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C21H31N7O 397.527000 |
LMNKIUDDGDSGSQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307525; PubChem:CID45139425
|
Local ready
Direct docking supported
|
|
E3L051718
BDB051718
|
BDBM50307526
CN1CCN(C(=O)c2nn(C)c3c2CCc2cnc(NC4CCCC4)nc2-3)CC1
|
C21H29N7O 395.511000 |
ATQAEYOXBHLKNV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307526; PubChem:CID45139426
|
Local ready
Direct docking supported
|
|
E3L051719
BDB051719
|
BDBM50307527
NC(=O)c1nn(Cc2ccccc2)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C22H24N6O 388.475000 |
HCLVUOIGTCCQQB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307527; PubChem:CID45139430
|
Local ready
Direct docking supported
|
|
E3L051720
BDB051720
|
BDBM50307528
NC(=O)c1nn(-c2ccccn2)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C20H21N7O 375.436000 |
GYMVEDSUJRTLGP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307528; PubChem:CID45139610
|
Local ready
Direct docking supported
|