| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031861
BDB031861
|
BDBM636064
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(C)(=O)=O)cc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O5S 505.556000 |
CGFXXKQAUTXPSO-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636064; PubChem:CID166129082
|
Local ready
Direct docking supported
|
|
E3L031862
BDB031862
|
BDBM636065
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N(C)C(C)C)nc4OC)n[nH]c3c1)C(=O)N2
|
C29H30N6O4 526.597000 |
RYEJQIGGOAKPKK-WRONEBCDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636065; PubChem:CID166129501
|
Local ready
Direct docking supported
|
|
E3L031863
BDB031863
|
BDBM636066
CCOc1cnc(SC)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C25H24N6O3S 488.573000 |
SLOMPCAFLOMFFS-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636066; PubChem:CID166128857
|
Local ready
Direct docking supported
|
|
E3L031864
BDB031864
|
BDBM636067
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(S(C)(=O)=O)ccc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O5S 505.556000 |
CBRMHVZZHXKJJW-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636067; PubChem:CID166129412
|
Local ready
Direct docking supported
|
|
E3L031865
BDB031865
|
BDBM636068
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(C(=O)N(C)C)cc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O4 498.543000 |
NUALOIMAZAHWKR-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636068; PubChem:CID166128926
|
Local ready
Direct docking supported
|
|
E3L031866
BDB031866
|
BDBM636069
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(=O)N(C)C)ncc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O4 498.543000 |
CMKBUPMPBCXXOH-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636069; PubChem:CID166129301
|
Local ready
Direct docking supported
|
|
E3L031867
BDB031867
|
BDBM636070
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5CCOCC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C30H29N5O5 539.592000 |
KHDTZPRXPIQIDD-CHJDUVSTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636070; PubChem:CID166129295
|
Local ready
Direct docking supported
|
|
E3L031868
BDB031868
|
BDBM636071
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CCOC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O4 498.543000 |
YCZYGQPCRPOGLT-YDMNMSGFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636071; PubChem:CID166128655
|
Local ready
Direct docking supported
|
|
E3L031869
BDB031869
|
BDBM636073
CCOc1nc(S(C)(=O)=O)ccc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C26H25N5O5S 519.583000 |
AJWHDYZLFAUJLF-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636073; PubChem:CID166129177
|
Local ready
Direct docking supported
|
|
E3L031870
BDB031870
|
BDBM636074
CCOc1cc(C(=O)N(C)C)cnc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C28H28N6O4 512.570000 |
MVKSHUDBXVAUPP-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636074; PubChem:CID166129538
|
Local ready
Direct docking supported
|
|
E3L031871
BDB031871
|
BDBM636075
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)N(C)C)cc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N6O5S 534.598000 |
RZBCOYUBQNCKGM-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636075; PubChem:CID166128892
|
Local ready
Direct docking supported
|
|
E3L031872
BDB031872
|
BDBM636076
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(P(C)(C)=O)nc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N5O4P 503.499000 |
DBLHAVCJDSOAAZ-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636076; PubChem:CID166128522
|
Local ready
Direct docking supported
|
|
E3L031873
BDB031873
|
BDBM636077
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(F)c(C(=O)N(C)C)cc4OC)n[nH]c3c1)C(=O)N2
|
C28H26FN5O4 515.545000 |
XTOHRNRFRAUJKC-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636077; PubChem:CID166128560
|
Local ready
Direct docking supported
|
|
E3L031874
BDB031874
|
BDBM636078
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(F)c(C(=O)N5CCOCC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C30H28FN5O5 557.582000 |
HTLXWQIMRWWAEB-JRPXNJEYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636078; PubChem:CID166128607
|
Local ready
Direct docking supported
|
|
E3L031875
BDB031875
|
BDBM636079
CCOc1cc(S(C)(=O)=O)cnc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C26H25N5O5S 519.583000 |
LIGRCJDERAHTMJ-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636079; PubChem:CID166128839
|
Local ready
Direct docking supported
|
|
E3L031876
BDB031876
|
BDBM636080
CCS(=O)(=O)c1ccc(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c(OC)n1
|
C26H25N5O5S 519.583000 |
YGKBBMAZIAXASO-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636080; PubChem:CID166128973
|
Local ready
Direct docking supported
|
|
E3L031877
BDB031877
|
BDBM636081
CNS(=O)(=O)c1cc(OC)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)cc1C
|
C27H27N5O5S 533.610000 |
GWTSGLRTAKOPSF-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636081; PubChem:CID166129347
|
Local ready
Direct docking supported
|
|
E3L031878
BDB031878
|
BDBM636082
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc5c4C(C)SC5)n[nH]c3c1)C(=O)N2
|
C26H24N6O2S 484.585000 |
UBSYFUQJIKSDBY-GMZRFRTISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636082; PubChem:CID166128817
|
Local ready
Direct docking supported
|
|
E3L031879
BDB031879
|
BDBM636083
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(OC)c(S(N)(=O)=O)cc4OC)n[nH]c3c1)C(=O)N2
|
C26H25N5O6S 535.582000 |
USCOCXHLSIVHKU-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636083; PubChem:CID166128506
|
Local ready
Direct docking supported
|
|
E3L031880
BDB031880
|
BDBM636084
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N(C)C)nc5c4CCC5)n[nH]c3c1)C(=O)N2
|
C27H27N7O2 481.560000 |
FOJFMSKCYTZGMD-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636084; PubChem:CID166128863
|
Local ready
Direct docking supported
|