| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056101
BDB056101
|
BDBM50436692
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCOCC5)cc4)cc23)cc1
|
C33H34N6O4 578.673000 |
RYRNCJFZRJMLKN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436692; PubChem:CID57946556
|
Local ready
Direct docking supported
|
|
E3L056102
BDB056102
|
BDBM50436693
CN1CCN(CCOc2ccc(-c3cc4c(NCCc5ccc(NC(=O)Nc6ccccc6)cc5)ncnc4o3)cc2)CC1
|
C34H37N7O3 591.716000 |
PRBZWJDAVYGYMK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436693; PubChem:CID71745857
|
Local ready
Direct docking supported
|
|
E3L056103
BDB056103
|
BDBM50436694
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCCCC5)cc4)cc23)cc1
|
C34H36N6O3 576.701000 |
IVIDJNDYMLDNQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436694; PubChem:CID71745670
|
Local ready
Direct docking supported
|
|
E3L056104
BDB056104
|
BDBM50436695
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCC(O)CC5)cc4)cc23)cc1
|
C34H36N6O4 592.700000 |
WEVRAOPLGYJTLY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436695; PubChem:CID57946373
|
Local ready
Direct docking supported
|
|
E3L056105
BDB056105
|
BDBM50436696
CCN(CC)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
|
C33H36N6O3 564.690000 |
VTPQFEHGMAIXDV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436696; PubChem:CID71745667
|
Local ready
Direct docking supported
|
|
E3L056106
BDB056106
|
BDBM50436697
O=C(Nc1ccccc1)Nc1ccc(CCCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C34H29N5O2 539.639000 |
KBTXSMIADHLVRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436697; PubChem:CID57946584
|
Local ready
Direct docking supported
|
|
E3L056107
BDB056107
|
BDBM50436698
O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)c1
|
C33H27N5O2 525.612000 |
VGXRCDITQXUDTO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436698; PubChem:CID57946503
|
Local ready
Direct docking supported
|
|
E3L056108
BDB056108
|
BDBM50436699
NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C27H23N5O2 449.514000 |
WTZHJDHGLJEEOR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436699; PubChem:CID57946585
|
Local ready
Direct docking supported
|
|
E3L056109
BDB056109
|
BDBM50436700
O=C(Nc1ccccc1)Nc1ccc(CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C32H25N5O2 511.585000 |
ORDJHYDDTQFOBO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436700; PubChem:CID71552560
|
Local ready
Direct docking supported
|
|
E3L056110
BDB056110
|
BDBM50436701
COc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(-c5ccccc5)c34)cc2)cc1
|
C34H29N5O3 555.638000 |
QHLCNDQTYWXRMM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436701; PubChem:CID57946594
|
Local ready
Direct docking supported
|
|
E3L056111
BDB056111
|
BDBM50436702
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1
|
C27H23N5O2 449.514000 |
PZLHOMRATVSUTJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436702; PubChem:CID57946425
|
Local ready
Direct docking supported
|
|
E3L056112
BDB056112
|
BDBM50436703
CNC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C28H25N5O2 463.541000 |
SVEJPTFGIFCXHB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436703; PubChem:CID57946541
|
Local ready
Direct docking supported
|
|
E3L056113
BDB056113
|
BDBM50436704
O=C(Nc1ccccc1)Nc1ccc(Nc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C31H23N5O2 497.558000 |
HMEFOYWOEZKPAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436704; PubChem:CID71745477
|
Local ready
Direct docking supported
|
|
E3L056114
BDB056114
|
BDBM50436705
O=C(NCc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C34H29N5O2 539.639000 |
WQFYTOGUHIWPDZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436705; PubChem:CID57946511
|
Local ready
Direct docking supported
|
|
E3L056115
BDB056115
|
BDBM50436706
O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)NC1CCCCC1
|
C33H33N5O2 531.660000 |
PFTMCAFYVMWNKR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436706; PubChem:CID57946544
|
Local ready
Direct docking supported
|
|
E3L056116
BDB056116
|
BDBM50436707
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)cc23)cc1
|
C27H23N5O2 449.514000 |
NFLOTXOSGLXAJZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436707; PubChem:CID44470317
|
Local ready
Direct docking supported
|
|
E3L056117
BDB056117
|
BDBM50436708
CCCCN(CCCC)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
|
C37H44N6O3 620.798000 |
QTUXGVCSDKAGGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436708; PubChem:CID71745668
|
Local ready
Direct docking supported
|
|
E3L056118
BDB056118
|
BDBM50436709
O=C(Nc1ccc(F)cc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
|
C33H26FN5O2 543.602000 |
XXCAJHMQLUBNSK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436709; PubChem:CID57946484
|
Local ready
Direct docking supported
|
|
E3L056119
BDB056119
|
BDBM50436710
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCCC5)cc4)cc23)cc1
|
C33H34N6O3 562.674000 |
KOTFMMXTZBRZSW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436710; PubChem:CID71745669
|
Local ready
Direct docking supported
|
|
E3L056120
BDB056120
|
BDBM50436711
CCN(CCO)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
|
C33H36N6O4 580.689000 |
MGYRISCZOPEGNR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436711; PubChem:CID71745858
|
Local ready
Direct docking supported
|