| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031821
BDB031821
|
BDBM636023
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(C)C)nc(C)n4)n[nH]c3c1)C(=O)N2
|
C26H26N6O2 454.534000 |
ALACCIQHDFVFLD-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636023; PubChem:CID166128871
|
Local ready
Direct docking supported
|
|
E3L031822
BDB031822
|
BDBM636025
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc5c4OCC5)n[nH]c3c1)C(=O)N2
|
C25H22N6O3 454.490000 |
UEMHNDHVZSSWDQ-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636025; PubChem:CID166129500
|
Local ready
Direct docking supported
|
|
E3L031823
BDB031823
|
BDBM636026
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CCOCC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C28H28N6O4 512.570000 |
GSYZCTCPLRSRGI-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636026; PubChem:CID166128643
|
Local ready
Direct docking supported
|
|
E3L031824
BDB031824
|
BDBM636027
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(SC)ncc4OC)n[nH]c3c1)C(=O)N2
|
C24H22N6O3S 474.546000 |
JBOORGPMLIAKTP-FYSMJZIKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636027; PubChem:CID166129213
|
Local ready
Direct docking supported
|
|
E3L031825
BDB031825
|
BDBM636028
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C26H25N7O3 483.532000 |
HELHZUKLOPVPHW-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636028; PubChem:CID166129544
|
Local ready
Direct docking supported
|
|
E3L031826
BDB031826
|
BDBM636029
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(C(F)(F)F)cc4OC)n[nH]c3c1)C(=O)N2
|
C25H20F3N5O3 495.461000 |
CBAXBOKSVQWPAQ-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636029; PubChem:CID166129032
|
Local ready
Direct docking supported
|
|
E3L031827
BDB031827
|
BDBM636030
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc5c4CCC5)n[nH]c3c1)C(=O)N2
|
C26H24N6O2 452.518000 |
WIYXOIDCQNFVET-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636030; PubChem:CID166129331
|
Local ready
Direct docking supported
|
|
E3L031828
BDB031828
|
BDBM636031
CCc1ncc(OC)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)n1
|
C25H24N6O3 456.506000 |
WUTLVPJTLNYGRZ-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636031; PubChem:CID166129373
|
Local ready
Direct docking supported
|
|
E3L031829
BDB031829
|
BDBM636032
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc5cccnc5cc4OC)n[nH]c3c1)C(=O)N2
|
C28H23N5O3 477.524000 |
FDFNBHWHWWYCHN-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636032; PubChem:CID166129226
|
Local ready
Direct docking supported
|
|
E3L031830
BDB031830
|
BDBM636033
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4SC)n[nH]c3c1)C(=O)N2
|
C24H22N6O2S 458.547000 |
QMGXDPMJCLHSSO-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636033; PubChem:CID166128656
|
Local ready
Direct docking supported
|
|
E3L031831
BDB031831
|
BDBM636034
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc5ccccc5cc4OC)n[nH]c3c1)C(=O)N2
|
C28H23N5O3 477.524000 |
HNFIGFQBTMODAW-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636034; PubChem:CID166129337
|
Local ready
Direct docking supported
|
|
E3L031832
BDB031832
|
BDBM636035
COc1cnc(OC)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c1
|
C25H23N5O4 457.490000 |
LUXFMPONEMGQJD-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636035; PubChem:CID166128969
|
Local ready
Direct docking supported
|
|
E3L031833
BDB031833
|
BDBM636036
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(Cl)nc5ccoc45)n[nH]c3c1)C(=O)N2
|
C24H17ClN6O3 472.892000 |
NNCYMIKCSDIHJR-OWJWWREXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636036; PubChem:CID166128585
|
Local ready
Direct docking supported
|
|
E3L031834
BDB031834
|
BDBM636037
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N(C)C)nc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O4 498.543000 |
NYPQIYNAJRTAPS-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636037; PubChem:CID166128515
|
Local ready
Direct docking supported
|
|
E3L031835
BDB031835
|
BDBM636038
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCCC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N7O3 497.559000 |
NTNIBJDMRRLYOK-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636038; PubChem:CID166129435
|
Local ready
Direct docking supported
|
|
E3L031836
BDB031836
|
BDBM636039
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(S(C)(=O)=O)nc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O5S 505.556000 |
TZKMWKXQVXWVFE-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636039; PubChem:CID166128673
|
Local ready
Direct docking supported
|
|
E3L031837
BDB031837
|
BDBM636040
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CC[C@@H](F)C5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C27H26FN7O3 515.549000 |
DVCNPIFFEMVJNY-ATLKJMRYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636040; PubChem:CID166129176
|
Local ready
Direct docking supported
|
|
E3L031838
BDB031838
|
BDBM636041
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCC(F)(F)C5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C27H25F2N7O3 533.539000 |
YNXZLNOLQBAZNQ-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636041; PubChem:CID166128449
|
Local ready
Direct docking supported
|
|
E3L031839
BDB031839
|
BDBM636042
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(Cl)nc5ccn(C)c45)n[nH]c3c1)C(=O)N2
|
C25H20ClN7O2 485.935000 |
UOPOBDKKMPCYDX-LMKMVOKYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636042; PubChem:CID166128998
|
Local ready
Direct docking supported
|
|
E3L031840
BDB031840
|
BDBM636043
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C#N)ncc4OC)n[nH]c3c1)C(=O)N2
|
C24H19N7O3 453.462000 |
JJQRFOFBCUENFJ-FYSMJZIKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636043; PubChem:CID166129398
|
Local ready
Direct docking supported
|