| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055001
BDB055001
|
BDBM50394776
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NCC(F)(F)F)C4)cc3)nn3cccc23)n[nH]1
|
C25H26F3N9O2S 573.605000 |
VBXXGYSKTLTOBL-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50394776
|
Local ready
Direct docking supported
|
|
E3L055002
BDB055002
|
BDBM50394777
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NC(C)(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C27H33N9O2S 547.689000 |
SMOTZGTWZKCZAR-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394777; PubChem:CID57384512
|
Local ready
Direct docking supported
|
|
E3L055003
BDB055003
|
BDBM50394778
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NC5CCC5)C4)cc3)nn3cccc23)n[nH]1
|
C27H31N9O2S 545.673000 |
DABIENOBUSCARE-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394778; PubChem:CID57384511
|
Local ready
Direct docking supported
|
|
E3L055004
BDB055004
|
BDBM50394779
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NC5CCCC5)C4)cc3)nn3cccc23)n[nH]1
|
C28H33N9O2S 559.700000 |
MXHHONGZVDTFNW-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394779; PubChem:CID57384510
|
Local ready
Direct docking supported
|
|
E3L055005
BDB055005
|
BDBM50394780
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)Nc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1
|
C29H28FN9O2S 585.669000 |
AYHJBFRPPDPHQD-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394780; PubChem:CID57384509
|
Local ready
Direct docking supported
|
|
E3L055006
BDB055006
|
BDBM50394781
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)NCCN5CCOCC5)C4)cc3)nn3cccc23)n[nH]1
|
C29H36N10O3S 604.741000 |
UVNLAMSMBMXIJB-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50394781
|
Local ready
Direct docking supported
|
|
E3L055007
BDB055007
|
BDBM50394782
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)N5CCC(O)CC5)C4)cc3)nn3cccc23)n[nH]1
|
C28H33N9O3S 575.699000 |
XDRKRJZKFZAPIW-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394782; PubChem:CID57384259
|
Local ready
Direct docking supported
|
|
E3L055008
BDB055008
|
BDBM50394783
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)N5CCOCC5)C4)cc3)nn3cccc23)n[nH]1
|
C27H31N9O3S 561.672000 |
VAOPKWIEANDPSM-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394783; PubChem:CID57384258
|
Local ready
Direct docking supported
|
|
E3L055009
BDB055009
|
BDBM50394784
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)N5CCCCC5)C4)cc3)nn3cccc23)n[nH]1
|
C28H33N9O2S 559.700000 |
FNPQADNIXKBYIS-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394784; PubChem:CID53340450
|
Local ready
Direct docking supported
|
|
E3L055010
BDB055010
|
BDBM50394785
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)N5CCC(F)(F)C5)C4)cc3)nn3cccc23)n[nH]1
|
C27H29F2N9O2S 581.653000 |
KAQWYRBKYUAJGJ-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50394785
|
Local ready
Direct docking supported
|
|
E3L055011
BDB055011
|
BDBM50394786
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1
|
C27H31N9O2S 545.673000 |
OPVKJVDDNDEKSB-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394786; PubChem:CID57384256
|
Local ready
Direct docking supported
|
|
E3L055012
BDB055012
|
BDBM50394787
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C(=O)N5CCCC5)C4)cc3)nn3cccc23)n[nH]1
|
C27H31N9O2S 545.673000 |
OPVKJVDDNDEKSB-IBGZPJMESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394787; PubChem:CID53340224
|
Local ready
Direct docking supported
|
|
E3L055013
BDB055013
|
BDBM50394788
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](S(=O)(=O)C(C)(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C26H32N8O3S2 568.729000 |
NRRLLJHNIQEBIO-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394788; PubChem:CID53340570
|
Local ready
Direct docking supported
|
|
E3L055014
BDB055014
|
BDBM50394789
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H]([S+]([O-])C(C)(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C26H32N8O2S2 552.730000 |
GUKUYYRQJNMIEZ-ZPZSTKJISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394789; PubChem:CID53340688
|
Local ready
Direct docking supported
|
|
E3L055015
BDB055015
|
BDBM50394790
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](SC(C)(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C26H32N8OS2 536.731000 |
AQWZLYAQFVYJLC-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394790; PubChem:CID53340448
|
Local ready
Direct docking supported
|
|
E3L055016
BDB055016
|
BDBM50394791
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC(C(=O)C(C)(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C27H32N8O2S 532.674000 |
VYCUQEPITATEOI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394791; PubChem:CID57388019
|
Local ready
Direct docking supported
|
|
E3L055017
BDB055017
|
BDBM50394792
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](NS(C)(=O)=O)C4)cc3)nn3cccc23)n[nH]1
|
C23H27N9O3S2 541.663000 |
XNVZCKOKNDLDRL-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394792; PubChem:CID57387794
|
Local ready
Direct docking supported
|
|
E3L055018
BDB055018
|
BDBM50394793
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](NC(=O)C(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C26H31N9O2S 533.662000 |
SYOBTEQVKWAJIS-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394793; PubChem:CID53339204
|
Local ready
Direct docking supported
|
|
E3L055019
BDB055019
|
BDBM50394794
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OC(C)(C)C)C4)cc3)nn3cccc23)n[nH]1
|
C26H32N8O2S 520.663000 |
CZZNTJJSXZNFKL-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394794; PubChem:CID53340563
|
Local ready
Direct docking supported
|
|
E3L055020
BDB055020
|
BDBM50394795
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@@H](OCCCN5CCOCC5)C4)cc3)nn3cccc23)n[nH]1
|
C29H37N9O3S 591.742000 |
CJSJFNXXOCNUIQ-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50394795; PubChem:CID53340225
|
Local ready
Direct docking supported
|