| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005061
BDB005061
|
BDBM116892
COc1ccc(C(=O)Nc2ccc(C)c(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C25H23N5O3 441.491000 |
CKSFNWDGZCXQON-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116892; PubChem:CID66762491
|
Local ready
Direct docking supported
|
|
E3L005062
BDB005062
|
BDBM116893
NC(=O)c1cccc2c(NCc3cccc(Nc4ncccn4)c3)ncnc12
|
C20H17N7O 371.404000 |
OSOQQRUVRRWBMV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116893; PubChem:CID66762379
|
Local ready
Direct docking supported
|
|
E3L005063
BDB005063
|
BDBM116894
NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4cccnc4)c3)ncnc12
|
C22H18N6O2 398.426000 |
WHLKRBBRZJQSQQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116894; PubChem:CID68078914
|
Local ready
Direct docking supported
|
|
E3L005064
BDB005064
|
BDBM116895
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(Nc4ccccn4)c3)ncnc12
|
C28H31N7O 481.604000 |
SFNAMCXZMSYPAU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116895; PubChem:CID68078844
|
Local ready
Direct docking supported
|
|
E3L005065
BDB005065
|
BDBM116896
Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C23H20F3N7O2 483.454000 |
WPSTUURUTXEJCF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116896; PubChem:CID68078884
|
Local ready
Direct docking supported
|
|
E3L005066
BDB005066
|
BDBM116897
COc1ccc(C(=O)Nc2ccc3c(c2)CN(c2ncnc4c(C(N)=O)cccc24)CC3)cc1
|
C26H23N5O3 453.502000 |
DAIWPAQKPHJILU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116897; PubChem:CID66763063
|
Local ready
Direct docking supported
|
|
E3L005067
BDB005067
|
BDBM116898
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4n[nH]c5ccc(Cl)cc45)c3)ncnc12
|
C24H18ClN7O2 471.908000 |
VXUSRLTYJVSNGX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116898; PubChem:CID66763655
|
Local ready
Direct docking supported
|
|
E3L005068
BDB005068
|
BDBM116899
CC(N)c1cccc(NC(=O)c2ccoc2CN2CCOCC2)c1
|
C18H23N3O3 329.400000 |
KVEIKKQFXLWWMV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116899; PubChem:CID68078880
|
Local ready
Direct docking supported
|
|
E3L005069
BDB005069
|
BDBM116900
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(CN5CCOCC5)cc34)c2)cc1
|
C29H30N6O4 526.597000 |
OEDBLXPEGILSSQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116900; PubChem:CID66763091
|
Local ready
Direct docking supported
|
|
E3L005070
BDB005070
|
BDBM116901
NC(=O)c1cccc2c(NCc3cccc(-n4c(=O)[nH]c5ccccc5c4=O)c3)ncnc12
|
C24H18N6O3 438.447000 |
XMRRAMCZSADQLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116901; PubChem:CID66763806
|
Local ready
Direct docking supported
|
|
E3L005071
BDB005071
|
BDBM116902
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(Nc4ccccn4)c3)ncnc12
|
C27H29N7O 467.577000 |
OIUQFNNWKMANNS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116902; PubChem:CID66763805
|
Local ready
Direct docking supported
|
|
E3L005072
BDB005072
|
BDBM116903
CC(C)N1CCC(C(=O)Nc2cccc(CNC3=NC=NC4C(C(N)=O)=CCC=C34)c2)CC1
|
C25H32N6O2 448.571000 |
JXMNWIWHMKVRKH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116903; PubChem:CID136277831
|
Local ready
Direct docking supported
|
|
E3L005073
BDB005073
|
BDBM116904
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc5ccccc5n4)c3)ncnc12
|
C25H20N6O 420.476000 |
GAXVSAFEBYRBOY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116904; PubChem:CID66762717
|
Local ready
Direct docking supported
|
|
E3L005074
BDB005074
|
BDBM116905
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CNC(=O)C2)c1
|
C22H22N6O3 418.457000 |
IQGXLGIJKVLDML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116905; PubChem:CID66763967
|
Local ready
Direct docking supported
|
|
E3L005075
BDB005075
|
BDBM116906
COc1ccc(C(=O)Nc2cccc(CNc3c(C(N)=O)cnc4c(C(N)=O)cccc34)c2)cc1
|
C26H23N5O4 469.501000 |
WAGMGFBPNPADDU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116906; PubChem:CID66762262
|
Local ready
Direct docking supported
|
|
E3L005076
BDB005076
|
BDBM116907
NC(=O)c1cccc2c(Nc3cccc(CNC(=O)C4CCCNC4)c3)ncnc12
|
C22H24N6O2 404.474000 |
HHKDBFNSUKUUTK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116907; PubChem:CID68078933
|
Local ready
Direct docking supported
|
|
E3L005077
BDB005077
|
BDBM116908
CCN(CC)CCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C29H32N6O3 512.614000 |
IKCMZUXDTCBLMO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116908; PubChem:CID66763103
|
Local ready
Direct docking supported
|
|
E3L005078
BDB005078
|
BDBM116909
C=CCC(/C=C/NC(=O)C1=CCCC(OCCCN(C)C)=C1)CNc1ncnc2c(C(N)=O)cccc12
|
C28H36N6O3 504.635000 |
RIXWYLSVFNGAKX-BUHFOSPRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116909; PubChem:CID68078938
|
Local ready
Direct docking supported
|
|
E3L005079
BDB005079
|
BDBM116910
CCN(CC)CCOC1C=CC(C(O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1
|
C29H36N6O3 516.646000 |
HZUXHEBYLGLOGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116910; PubChem:CID68078941
|
Local ready
Direct docking supported
|
|
E3L005080
BDB005080
|
BDBM116911
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4n[nH]c5ccc(Br)cc45)c3)ncnc12
|
C24H18BrN7O2 516.359000 |
CCEKMBJKVCNECK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116911; PubChem:CID66763932
|
Local ready
Direct docking supported
|