| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045081
BDB045081
|
BDBM50059452
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3c(N)cccc3[nH]2)o1
|
C25H23N5O4S 489.557000 |
XACWBNSEGIFUIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059452; PubChem:CID118725522
|
Local ready
Direct docking supported
|
|
E3L045082
BDB045082
|
BDBM50059453
O=C1CNCC2=C1[C@@H](c1ccccc1F)c1c[nH]nc1N2
|
C15H13FN4O 284.294000 |
ITULOGMVDYUWCK-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059453; PubChem:CID137160099
|
Local ready
Direct docking supported
|
|
E3L045083
BDB045083
|
BDBM50059454
COC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C24H20N4O4S 460.515000 |
RQNRFNOSAPOJTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059454; PubChem:CID118725517
|
Local ready
Direct docking supported
|
|
E3L045084
BDB045084
|
BDBM50059455
O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]cc1N2
|
C22H18N4O2S 402.479000 |
TYGGXVLXMOVTBS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059455; PubChem:CID118725516
|
Local ready
Direct docking supported
|
|
E3L045085
BDB045085
|
BDBM50059456
COC(=O)c1csc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C24H19N3O4S2 477.567000 |
BCSHETJKMWOYNN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059456; PubChem:CID118725515
|
Local ready
Direct docking supported
|
|
E3L045086
BDB045086
|
BDBM50059457
Nc1nc(O)c2c(n1)NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C22H18N6O3S 446.492000 |
AXDULFHLWXTKOX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059457; PubChem:CID136966265
|
Local ready
Direct docking supported
|
|
E3L045087
BDB045087
|
BDBM50059458
NC(=O)c1[nH]nc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C22H18N6O3S 446.492000 |
BUBSIGLWDXBWLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059458; PubChem:CID118725513
|
Local ready
Direct docking supported
|
|
E3L045088
BDB045088
|
BDBM50059459
CCOC(=O)c1[nH]nc2c1NC1=C(C(=O)CCC1)C2c1ccc(Sc2nc3ccccc3[nH]2)o1
|
C24H21N5O4S 475.530000 |
BKWFRCMLASXCHW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059459; PubChem:CID118725512
|
Local ready
Direct docking supported
|
|
E3L045089
BDB045089
|
BDBM50059460
O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1n[nH]cc1N2
|
C21H17N5O2S 403.467000 |
BFDRBYBDPMFTDL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059460; PubChem:CID118725511
|
Local ready
Direct docking supported
|
|
E3L045090
BDB045090
|
BDBM50059461
O=C1CCCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1cn[nH]c1N2
|
C21H17N5O2S 403.467000 |
XQCCXUSQVVZKFO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059461; PubChem:CID136014549
|
Local ready
Direct docking supported
|
|
E3L045091
BDB045091
|
BDBM50059462
O=C1CNCC2=C1C(c1ccc(Sc3nc4ccccc4[nH]3)o1)c1c[nH]nc1N2
|
C20H16N6O2S 404.455000 |
FPRSZUZWWRQQEI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059462; PubChem:CID136014504
|
Local ready
Direct docking supported
|
|
E3L045092
BDB045092
|
BDBM50059463
O=C1CNCC2=C1C(c1cccc(Oc3ccc(Cl)c(Cl)c3)c1)c1c[nH]nc1N2
|
C21H16Cl2N4O2 427.291000 |
LMVFPPYKASLLDY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059463; PubChem:CID136014586
|
Local ready
Direct docking supported
|
|
E3L045093
BDB045093
|
BDBM50059464
COc1ccc(Oc2cccc(C3C4=C(CNCC4=O)Nc4n[nH]cc43)c2)cc1
|
C22H20N4O3 388.427000 |
YNULELVUDUIQRP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059464; PubChem:CID136014538
|
Local ready
Direct docking supported
|
|
E3L045094
BDB045094
|
BDBM50059465
O=C1CNCC2=C1C(c1cccc(Oc3ccc(Cl)cc3)c1)c1c[nH]nc1N2
|
C21H17ClN4O2 392.846000 |
IGTFGOXLYWHNEB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059465; PubChem:CID135511405
|
Local ready
Direct docking supported
|
|
E3L045095
BDB045095
|
BDBM50059466
O=C1CNCC2=C1C(c1cccc(Oc3ccccc3)c1)c1c[nH]nc1N2
|
C21H18N4O2 358.401000 |
PKHAVOMUYFFXON-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059466; PubChem:CID136014563
|
Local ready
Direct docking supported
|
|
E3L045096
BDB045096
|
BDBM50059489
O=C1CNCC2=C1C(c1cccc(Oc3cc(Cl)cc(Cl)c3)c1)c1c[nH]nc1N2
|
C21H16Cl2N4O2 427.291000 |
RIUHYXHQUSQJED-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059489; PubChem:CID136014535
|
Local ready
Direct docking supported
|
|
E3L045097
BDB045097
|
BDBM50059588
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1
|
C27H24N4O4 468.513000 |
YXMQIWJYPNBZJS-QFIPXVFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059588; PubChem:CID49787166
|
Local ready
Direct docking supported
|
|
E3L045098
BDB045098
|
BDBM50059589
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1ccnc(Sc2nc3ccccc3[nH]2)c1
|
C26H23N5O3S 485.569000 |
GYQCYDOLBHCMNM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059589; PubChem:CID118725535
|
Local ready
Direct docking supported
|
|
E3L045099
BDB045099
|
BDBM50059590
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1cccc(Sc2nc3ccccc3[nH]2)n1
|
C26H23N5O3S 485.569000 |
OCUFXJXMNYQAIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059590; PubChem:CID118725534
|
Local ready
Direct docking supported
|
|
E3L045100
BDB045100
|
BDBM50059592
CCOC(=O)c1[nH]cc2c1NC1=C(C(=O)CCC1)C2c1cccc(Sc2nc3ccccc3[nH]2)c1
|
C27H24N4O3S 484.581000 |
VJNJEWQHBPZCJD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50059592; PubChem:CID118213763
|
Local ready
Direct docking supported
|