| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031701
BDB031701
|
BDBM635898
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(OC)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C23H19ClN6O3 462.897000 |
GBIUARDTAPJECU-WNSKOXEYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635898; PubChem:CID166129499
|
Local ready
Direct docking supported
|
|
E3L031702
BDB031702
|
US20230365537, Example 25
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cn(C)nc4OC)n[nH]c3c1)C(=O)N2
|
C23H22N6O3 430.468000 |
GTSAWXOXCVPESK-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635900; PubChem:CID166128507
|
Local ready
Direct docking supported
|
|
E3L031703
BDB031703
|
US20230365537, Example 30
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cnn5c4OCC5)n[nH]c3c1)C(=O)N2
|
C23H20N6O3 428.452000 |
CSCUXLKCEJASIE-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635905; PubChem:CID166129511
|
Local ready
Direct docking supported
|
|
E3L031704
BDB031704
|
BDBM635906
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cccc5c4OCC5=O)n[nH]c3c1)C(=O)N2
|
C26H20N4O4 452.470000 |
IICOWTOEYHWWOH-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635906; PubChem:CID166129235
|
Local ready
Direct docking supported
|
|
E3L031705
BDB031705
|
BDBM635907
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nccc5c4OCC5)n[nH]c3c1)C(=O)N2
|
C25H21N5O3 439.475000 |
HTHISIOYCCJIBY-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635907; PubChem:CID166129275
|
Local ready
Direct docking supported
|
|
E3L031706
BDB031706
|
BDBM635908
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nccc5c4OC[C@@H]5CO)n[nH]c3c1)C(=O)N2
|
C26H23N5O4 469.501000 |
LDGOZDNOQAZRQV-DEEXRXHISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635908; PubChem:CID166128633
|
Local ready
Direct docking supported
|
|
E3L031707
BDB031707
|
BDBM635909
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nccc5c4OC[C@H]5CO)n[nH]c3c1)C(=O)N2
|
C26H23N5O4 469.501000 |
LDGOZDNOQAZRQV-XMFFZQKXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635909; PubChem:CID166129094
|
Local ready
Direct docking supported
|
|
E3L031708
BDB031708
|
BDBM635910
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CC(OC)C5)ncn4)n[nH]c3c1)C(=O)N2
|
C26H25N7O3 483.532000 |
IJHINRNPHQTGCM-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635910; PubChem:CID166128986
|
Local ready
Direct docking supported
|
|
E3L031709
BDB031709
|
BDBM635911
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CC(O)C5)ncn4)n[nH]c3c1)C(=O)N2
|
C25H23N7O3 469.505000 |
ALZQFLLQPOLVEW-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635911; PubChem:CID166128804
|
Local ready
Direct docking supported
|
|
E3L031710
BDB031710
|
BDBM635912
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5C6CCC5COC6)c4OC)n[nH]c3c1)C(=O)N2
|
C29H29N7O4 539.596000 |
WAURSSMPBFMZPD-KKOJWFEMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635912; PubChem:CID166128491
|
Local ready
Direct docking supported
|
|
E3L031711
BDB031711
|
BDBM635913
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(OCCO)ncn4)n[nH]c3c1)C(=O)N2
|
C24H22N6O4 458.478000 |
SAPTVHFTBQYAMS-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635913; PubChem:CID166129419
|
Local ready
Direct docking supported
|
|
E3L031712
BDB031712
|
BDBM635914
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCS(=O)(=O)CC5)ncn4)n[nH]c3c1)C(=O)N2
|
C26H25N7O4S 531.598000 |
GFUZUEVAWXYASP-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635914; PubChem:CID166129083
|
Local ready
Direct docking supported
|
|
E3L031713
BDB031713
|
BDBM635915
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCCOCC5)ncn4)n[nH]c3c1)C(=O)N2
|
C27H27N7O3 497.559000 |
SROFNWNYOOAXPQ-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635915; PubChem:CID166129004
|
Local ready
Direct docking supported
|
|
E3L031714
BDB031714
|
BDBM635916
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)nc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C28H29N7O4 527.585000 |
QDLXXTJAMPDPFE-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635916; PubChem:CID166128994
|
Local ready
Direct docking supported
|
|
E3L031715
BDB031715
|
BDBM635917
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C26H25N7O3 483.532000 |
YGXMLXQFMILMHD-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635917; PubChem:CID166129026
|
Local ready
Direct docking supported
|
|
E3L031716
BDB031716
|
BDBM635918
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CC(O)C5)c4OC)n[nH]c3c1)C(=O)N2
|
C26H25N7O4 499.531000 |
YUNGWKDFWCZWAM-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635918; PubChem:CID166128591
|
Local ready
Direct docking supported
|
|
E3L031717
BDB031717
|
BDBM635919
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CCCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C28H29N7O4 527.585000 |
NKZIDRRJDMHQEU-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635919; PubChem:CID166129365
|
Local ready
Direct docking supported
|
|
E3L031718
BDB031718
|
BDBM635920
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCC5)ncn4)n[nH]c3c1)C(=O)N2
|
C25H23N7O2 453.506000 |
IRCOUATYCJGYHC-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635920; PubChem:CID166128915
|
Local ready
Direct docking supported
|
|
E3L031719
BDB031719
|
BDBM635921
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CC(O)C5)c4Cl)n[nH]c3c1)C(=O)N2
|
C25H22ClN7O3 503.950000 |
HFEPCQCRRRINGD-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635921; PubChem:CID166128548
|
Local ready
Direct docking supported
|
|
E3L031720
BDB031720
|
BDBM635922
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CC(OC)C5)c4Cl)n[nH]c3c1)C(=O)N2
|
C26H24ClN7O3 517.977000 |
DWBNOASTWMOBSP-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635922; PubChem:CID166129425
|
Local ready
Direct docking supported
|