| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031761
BDB031761
|
BDBM635963
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ccc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O3 441.491000 |
DMWCSOYJGHLVEB-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635963; PubChem:CID166128530
|
Local ready
Direct docking supported
|
|
E3L031762
BDB031762
|
BDBM635964
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)cnc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O3 441.491000 |
MLSFACRPOXXXGI-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635964; PubChem:CID166128937
|
Local ready
Direct docking supported
|
|
E3L031763
BDB031763
|
BDBM635965
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nnccc4OC)n[nH]c3c1)C(=O)N2
|
C23H20N6O3 428.452000 |
DJXMOVBYEXHLBK-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635965; PubChem:CID166128714
|
Local ready
Direct docking supported
|
|
E3L031764
BDB031764
|
BDBM635966
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C5CC5)nn4C)n[nH]c3c1)C(=O)N2
|
C25H24N6O2 440.507000 |
GYMQBVYIGPAFNJ-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635966; PubChem:CID166129227
|
Local ready
Direct docking supported
|
|
E3L031765
BDB031765
|
BDBM635967
CCn1nc(C2CC2)cc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C26H26N6O2 454.534000 |
ZLQITNSQCVUIPF-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635967; PubChem:CID166129336
|
Local ready
Direct docking supported
|
|
E3L031766
BDB031766
|
BDBM635968
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(CC(C)(C)O)nc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C31H35N7O5 585.665000 |
SNABMQDXTMKCDF-BGOLNKOXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635968; PubChem:CID166128896
|
Local ready
Direct docking supported
|
|
E3L031767
BDB031767
|
BDBM635969
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(N5CCOCC5)nc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N7O4 513.558000 |
XCDJZSMEKBJHEE-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635969; PubChem:CID166128798
|
Local ready
Direct docking supported
|
|
E3L031768
BDB031768
|
BDBM635970
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccnc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2
|
C28H28N6O4 512.570000 |
ASHFSDTVSQCVQC-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635970; PubChem:CID166129319
|
Local ready
Direct docking supported
|
|
E3L031769
BDB031769
|
BDBM635971
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C24H20ClN5O2 445.910000 |
IRERYLWREZIACV-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635971; PubChem:CID166128753
|
Local ready
Direct docking supported
|
|
E3L031770
BDB031770
|
BDBM635972
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCOCC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N7O4 513.558000 |
QACPKRRQDDUBDE-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635972; PubChem:CID166128801
|
Local ready
Direct docking supported
|
|
E3L031771
BDB031771
|
BDBM635973
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C23H19ClN6O2 446.898000 |
FVFBQLIRQCLZIH-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635973; PubChem:CID166129276
|
Local ready
Direct docking supported
|
|
E3L031772
BDB031772
|
BDBM635974
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCOCC5)cnc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N7O4 513.558000 |
XVTGWJWSWNCTFK-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635974; PubChem:CID166129030
|
Local ready
Direct docking supported
|
|
E3L031773
BDB031773
|
BDBM635975
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5COC5)cnc4OC)n[nH]c3c1)C(=O)N2
|
C26H24N6O4 484.516000 |
NGQVGKKCRFIRQR-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635975; PubChem:CID166129440
|
Local ready
Direct docking supported
|
|
E3L031774
BDB031774
|
BDBM635976
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(C)C)nnc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N6O3 470.533000 |
YVROIUGNSINBBY-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635976; PubChem:CID166128887
|
Local ready
Direct docking supported
|
|
E3L031775
BDB031775
|
BDBM635977
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCOCC5)nc(C(C)C)n4)n[nH]c3c1)C(=O)N2
|
C29H31N7O3 525.613000 |
FQIKRDSTMHHCGU-LGGPFLRQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635977; PubChem:CID166128428
|
Local ready
Direct docking supported
|
|
E3L031776
BDB031776
|
BDBM635978
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCOCC5)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C26H24ClN7O3 517.977000 |
SVACWPCELOSYMP-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635978; PubChem:CID166128828
|
Local ready
Direct docking supported
|
|
E3L031777
BDB031777
|
BDBM635979
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CC(O)C5)c4Cl)n[nH]c3c1)C(=O)N2C
|
C26H24ClN7O3 517.977000 |
SBEXUUCHJQBRNW-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635979; PubChem:CID166129455
|
Local ready
Direct docking supported
|
|
E3L031778
BDB031778
|
BDBM635980
CCN1C(=O)[C@@]2(C[C@H]2c2ccc3c(Nc4ncnc(N5CC(O)C5)c4Cl)n[nH]c3c2)c2cc(OC)ccc21
|
C27H26ClN7O3 532.004000 |
OGJISVFQZWZIMA-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635980; PubChem:CID166129465
|
Local ready
Direct docking supported
|
|
E3L031779
BDB031779
|
BDBM635981
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CCOCC5)c4OC(F)F)n[nH]c3c1)C(=O)N2
|
C27H25F2N7O4 549.538000 |
RYPUUVHGRHVJCP-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635981; PubChem:CID166128744
|
Local ready
Direct docking supported
|
|
E3L031780
BDB031780
|
BDBM635982
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CNC5)cnc4OC)n[nH]c3c1)C(=O)N2
|
C26H25N7O3 483.532000 |
QKHVOBMZVQSXAS-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635982; PubChem:CID166129554
|
Local ready
Direct docking supported
|