| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001481
BDB001481
|
BDBM31545
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2
|
C25H32N8O 460.586000 |
RXZMYLDMFYNEIM-UHFFFAOYSA-N | O14965, P51948 | Cyclin-H, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31545; PubChem:CID16718576
|
Local ready
Direct docking supported
|
|
E3L001482
BDB001482
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 29
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(N4CCN(C)CC4)c3)nc1-2
|
C25H32N8O 460.586000 |
WXCBCOGGWQFFHG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31546; PubChem:CID44236107
|
Local ready
Direct docking supported
|
|
E3L001483
BDB001483
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 30
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCOCC4)cc3)nc1-2
|
C24H29N7O2 447.543000 |
GPJNTQGFTWMDLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31547; PubChem:CID44232696
|
Local ready
Direct docking supported
|
|
E3L001484
BDB001484
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 31
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(N4CCOCC4)c3)nc1-2
|
C24H29N7O2 447.543000 |
NJEGTXWDENZTOP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31548; PubChem:CID44236108
|
Local ready
Direct docking supported
|
|
E3L001485
BDB001485
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 32
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(OC4CCN(C)CC4)cc3)nc1-2
|
C26H33N7O2 475.597000 |
DIGPJWWRUONFBO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31549; PubChem:CID44232697
|
Local ready
Direct docking supported
|
|
E3L001486
BDB001486
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 33
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(OC4CCN(C)CC4)c3)nc1-2
|
C26H33N7O2 475.597000 |
KEVSDOAMFUXCEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31550; PubChem:CID44236109
|
Local ready
Direct docking supported
|
|
E3L001487
BDB001487
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 34
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCN(C)CC4)cc3)nc1-2
|
C26H34N8O 474.613000 |
RQZBMIFWKSDKDP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31551; PubChem:CID44232698
|
Local ready
Direct docking supported
|
|
E3L001488
BDB001488
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 35
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCN(C)CC4)c3)nc1-2
|
C26H34N8O 474.613000 |
LYRJEVGXXUHVHG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31552; PubChem:CID44236110
|
Local ready
Direct docking supported
|
|
E3L001489
BDB001489
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 36
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(CN4CCOCC4)cc3)nc1-2
|
C25H31N7O2 461.570000 |
HVRRMJKBJSKZOK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31553; PubChem:CID44236111
|
Local ready
Direct docking supported
|
|
E3L001490
BDB001490
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 37
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(CN4CCOCC4)c3)nc1-2
|
C25H31N7O2 461.570000 |
UFDJSBYUXKDYQJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31554; PubChem:CID44232939
|
Local ready
Direct docking supported
|
|
E3L001491
BDB001491
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 38
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N(C)C)cc3)nc1-2
|
C22H27N7O 405.506000 |
OGRGRBGYCZWQRA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31555; PubChem:CID44236112
|
Local ready
Direct docking supported
|
|
E3L001492
BDB001492
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 39
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(N(C)C)c3)nc1-2
|
C22H27N7O 405.506000 |
AMVGGNXTABOYMX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31556; PubChem:CID44232940
|
Local ready
Direct docking supported
|
|
E3L001493
BDB001493
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 40
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(CN(C)C)cc3)nc1-2
|
C23H29N7O 419.533000 |
JUTKIHOLXQFFON-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31557; PubChem:CID44236349
|
Local ready
Direct docking supported
|
|
E3L001494
BDB001494
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 41
CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(CN(C)C)c3)nc1-2
|
C23H29N7O 419.533000 |
BHEDZIRZEYUIFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31558; PubChem:CID44232941
|
Local ready
Direct docking supported
|
|
E3L001495
BDB001495
|
BDBM31587
COc1ccc(-n2cnc3ccc(-c4nnc(SCc5cccc(C#N)c5)o4)cc32)cc1
|
C24H17N5O2S 439.500000 |
XUEHEOHRTKKVET-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM31587; PubChem:CID42629114
|
Local ready
Direct docking supported
|
|
E3L001496
BDB001496
|
BDBM31734
CCOC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2
|
C16H17NO4 287.315000 |
MCLDLXLZBMYXOG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM31734; PubChem:CID2859888
|
Local ready
Direct docking supported
|
|
E3L001497
BDB001497
|
BDBM31759
O=C(O)c1ccccc1-c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)o1
|
C20H10BrN3O4S 468.288000 |
NMLOLMOZTQCQJF-PXNMLYILSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM31759; PubChem:CID1357397
|
Local ready
Direct docking supported
|
|
E3L001498
BDB001498
|
BDBM31767
Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
|
C19H16N4O3 348.362000 |
TUVCWJQQGGETHL-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM31767; PubChem:CID9884685
|
Local ready
Direct docking supported
|
|
E3L001499
BDB001499
|
BDBM31833
O=C(Nc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1)c1ccccc1Cl
|
C23H17ClFN5O2 449.873000 |
ZYURNHOEBWWJHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31833; PubChem:CID42628076
|
Local ready
Direct docking supported
|
|
E3L001500
BDB001500
|
2,4-Bisanilinopyrimidine, 13
O=C(Nc1ccccc1Cl)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H17ClFN5O2 449.873000 |
CLOQRRBPZHLSQE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31834; PubChem:CID44139711
|
Local ready
Direct docking supported
|