| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053661
BDB053661
|
BDBM50352315
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CNC4CC4)cc3)nn3cccc23)n[nH]1
|
C21H22N8OS 434.529000 |
FIAJCYVGOYDLFU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352315; PubChem:CID53340221
|
Local ready
Direct docking supported
|
|
E3L053662
BDB053662
|
BDBM50352316
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Oc5cc(F)cc(F)c5)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C28H26F2N8O3S 592.632000 |
NLXAJRNAHYRPPY-ZEQRLZLVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352316; PubChem:CID56658056
|
Local ready
Direct docking supported
|
|
E3L053663
BDB053663
|
BDBM50352317
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Oc5ccc(F)cc5F)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C28H26F2N8O3S 592.632000 |
NSWYQWBLEMTVKT-UPVQGACJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352317; PubChem:CID56671935
|
Local ready
Direct docking supported
|
|
E3L053664
BDB053664
|
BDBM50352318
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Oc5ccc(F)cc5)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C28H27FN8O3S 574.642000 |
MQWHYEKERKXFQY-ZEQRLZLVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352318; PubChem:CID53339442
|
Local ready
Direct docking supported
|
|
E3L053665
BDB053665
|
BDBM50352319
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Oc5cccc(F)c5)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C28H27FN8O3S 574.642000 |
OGDURDWHHQUSDO-ZEQRLZLVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352319; PubChem:CID56681969
|
Local ready
Direct docking supported
|
|
E3L053666
BDB053666
|
BDBM50352320
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Oc5ccccc5F)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C28H27FN8O3S 574.642000 |
HIXRSEFUZBICPP-UPVQGACJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352320; PubChem:CID56658055
|
Local ready
Direct docking supported
|
|
E3L053667
BDB053667
|
BDBM50352321
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(N=O)[C@@H](OC(C)(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C26H31N9O3S 549.661000 |
OJYFHTZIIPZQCE-QWAKEFERSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352321
|
Local ready
Direct docking supported
|
|
E3L053668
BDB053668
|
BDBM50352322
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC5CCCC5)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C27H32N8O3S 548.673000 |
OAOPWYXDCLIWEH-GOTSBHOMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352322; PubChem:CID53339881
|
Local ready
Direct docking supported
|
|
E3L053669
BDB053669
|
BDBM50352323
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OCC5CC5)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C26H30N8O3S 534.646000 |
XQBLYDOGTIKRAE-VXKWHMMOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352323; PubChem:CID53340111
|
Local ready
Direct docking supported
|
|
E3L053670
BDB053670
|
BDBM50352324
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)C)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C25H30N8O3S 522.635000 |
GRXDRZBYCBQOFV-SFTDATJTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352324; PubChem:CID53340113
|
Local ready
Direct docking supported
|
|
E3L053671
BDB053671
|
BDBM50352325
COCCO[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
|
C25H30N8O4S 538.634000 |
BFSNADDVVFYGDC-SFTDATJTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352325; PubChem:CID56661569
|
Local ready
Direct docking supported
|
|
E3L053672
BDB053672
|
BDBM50352326
CCC(C)(C)O[C@H]1CN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O
|
C27H34N8O3S 550.689000 |
MXYMWTPPSBKBGN-VXKWHMMOSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352326
|
Local ready
Direct docking supported
|
|
E3L053673
BDB053673
|
BDBM50352327
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C(F)(F)F)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C26H29F3N8O3S 590.632000 |
ZIZAJYWIUBTSRC-PMACEKPBSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352327
|
Local ready
Direct docking supported
|
|
E3L053674
BDB053674
|
BDBM50352328
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@@H](F)C4)cc3)nn3cccc23)n[nH]1
|
C22H23FN8O2S 482.545000 |
MZKUHSLTLQVOKM-WMZOPIPTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352328; PubChem:CID53340687
|
Local ready
Direct docking supported
|
|
E3L053675
BDB053675
|
BDBM50352329
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)[C@@H](O)C4)cc3)nn3cccc23)n[nH]1
|
C26H32N8O3S 536.662000 |
LPAKCPZPWXQFRB-SFTDATJTSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352329
|
Local ready
Direct docking supported
|
|
E3L053676
BDB053676
|
BDBM50352330
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](N)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C23H27N9O2S 493.597000 |
INFCIXXPAUHEET-WBVHZDCISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352330; PubChem:CID56675312
|
Local ready
Direct docking supported
|
|
E3L053677
BDB053677
|
BDBM50352331
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C23H26N8O3S 494.581000 |
JZUMLGZEZIDAPY-DLBZAZTESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352331; PubChem:CID56661568
|
Local ready
Direct docking supported
|
|
E3L053678
BDB053678
|
BDBM50352332
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](SC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C27H34N8O2S2 566.757000 |
LJTYFOPORRMVFP-PZJWPPBQSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352332
|
Local ready
Direct docking supported
|
|
E3L053679
BDB053679
|
1-(4-Cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
COc1ccc(CNC(=O)Nc2cc(C#N)ccn2)cc1
|
C15H14N4O2 282.303000 |
CCJAUHZAAWYCGK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352491; PubChem:CID56675716
|
Local ready
Direct docking supported
|
|
E3L053680
BDB053680
|
BDBM50352492
COc1ccc(CNC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1
|
C16H14N4O4S 358.379000 |
KMZKYLKHZUIUFF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352492; PubChem:CID56668847
|
Local ready
Direct docking supported
|