| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000101
BDB000101
|
BDBM12083
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1
|
C14H14N4O2 270.292000 |
QFUFUFXGHREKDQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12083; PubChem:CID23586142
|
Local ready
Direct docking supported
|
|
E3L000102
BDB000102
|
BDBM12084
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1
|
C15H16N4O2 284.319000 |
AUBRDCSUKBUOFM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12084; PubChem:CID23645979
|
Local ready
Direct docking supported
|
|
E3L000103
BDB000103
|
BDBM12085
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1
|
C14H13FN4O2 288.282000 |
GVRXRJXTAJCHAP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12085; PubChem:CID23645980
|
Local ready
Direct docking supported
|
|
E3L000104
BDB000104
|
BDBM12086
COc1ccc(C(=O)Nc2[nH]nc3c2CN(C(C)=O)C3)cc1
|
C15H16N4O3 300.318000 |
WKUZSVHNZTYTJG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12086; PubChem:CID23645981
|
Local ready
Direct docking supported
|
|
E3L000105
BDB000105
|
BDBM12087
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C#N)cc3)c2C1
|
C15H13N5O2 295.302000 |
INFKSNNETMNNPG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12087; PubChem:CID23645982
|
Local ready
Direct docking supported
|
|
E3L000106
BDB000106
|
BDBM12088
CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1
|
C14H13FN4O2 288.282000 |
OIGXEDXBMLAHJI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12088; PubChem:CID23645983
|
Local ready
Direct docking supported
|
|
E3L000107
BDB000107
|
BDBM12089
CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4c(c3)OCO4)c2C1
|
C15H14N4O4 314.301000 |
CSCKQHQDABTYNP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12089; PubChem:CID23645984
|
Local ready
Direct docking supported
|
|
E3L000108
BDB000108
|
BDBM12090
Cc1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)c2cccc4cccnc24)C3)cc1
|
C23H19N5O2 397.438000 |
QVBATOUAXIHAHS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12090; PubChem:CID23645985
|
Local ready
Direct docking supported
|
|
E3L000109
BDB000109
|
BDBM12091
CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4c(c3)OCO4)c2C1
|
C17H18N4O4 342.355000 |
CWIFGWDXAMILHS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12091; PubChem:CID23645986
|
Local ready
Direct docking supported
|
|
E3L000110
BDB000110
|
3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 10
CC(C)NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4c(c3)OCO4)c2C1
|
C17H19N5O4 357.370000 |
IQQAPAMUKYXXIQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12092; PubChem:CID23645987
|
Local ready
Direct docking supported
|
|
E3L000111
BDB000111
|
BDBM12093
CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
|
C15H16N4O2 284.319000 |
SFYXQHJWZIXJLT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12093; PubChem:CID9857034
|
Local ready
Direct docking supported
|
|
E3L000112
BDB000112
|
BDBM12094
O=C(Cc1ccccc1)Nc1[nH]nc2c1CN(C(=O)Nc1ccccc1)C2
|
C20H19N5O2 361.405000 |
QAROPOMHRWJDMK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12094; PubChem:CID23645988
|
Local ready
Direct docking supported
|
|
E3L000113
BDB000113
|
BDBM12095
NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1
|
C14H15N5O2 285.307000 |
AMPGTDPLFIQJLI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12095; PubChem:CID23645989
|
Local ready
Direct docking supported
|
|
E3L000114
BDB000114
|
BDBM12096
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1
|
C18H22FN5O2 359.405000 |
JRLCFYYHBUWFDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12096; PubChem:CID23645990
|
Local ready
Direct docking supported
|
|
E3L000115
BDB000115
|
BDBM12097
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(N4CCCC4)cc3)c2C1
|
C22H30N6O2 410.522000 |
IPWGWCRUNGLOHK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12097; PubChem:CID11361885
|
Local ready
Direct docking supported
|
|
E3L000116
BDB000116
|
BDBM12098
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1
|
C22H25N5O2 391.475000 |
GRIBJJIZUIEJFG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12098; PubChem:CID23645991
|
Local ready
Direct docking supported
|
|
E3L000117
BDB000117
|
BDBM12099
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(N4CCCC4=O)cc3)c2C1
|
C22H28N6O3 424.505000 |
ACXFBDRQBQFLGH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12099; PubChem:CID23645992
|
Local ready
Direct docking supported
|
|
E3L000118
BDB000118
|
BDBM12100
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1
|
C23H27N5O2 405.502000 |
GZKUIKKDBXPCIY-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12100; PubChem:CID11407074
|
Local ready
Direct docking supported
|
|
E3L000119
BDB000119
|
BDBM12103
CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)Cc2cccs2)C3)cc1
|
C22H24N4O2S 408.527000 |
BRAPWNJIQFCXTK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12103; PubChem:CID10112131
|
Local ready
Direct docking supported
|
|
E3L000120
BDB000120
|
BDBM12104
CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)c2ccco2)C3)cc1
|
C21H22N4O3 378.432000 |
YSYZWVWSPCLBNZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12104; PubChem:CID10156505
|
Local ready
Direct docking supported
|