| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031781
BDB031781
|
BDBM635983
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CC(O)C5)nc(C(C)C)n4)n[nH]c3c1)C(=O)N2
|
C28H29N7O3 511.586000 |
ZVIBNYVMRHMJFS-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635983; PubChem:CID166128666
|
Local ready
Direct docking supported
|
|
E3L031782
BDB031782
|
BDBM635984
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)nn4CC(F)F)n[nH]c3c1)C(=O)N2
|
C24H22F2N6O2 464.476000 |
YMJGBFKMZSXVFU-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635984; PubChem:CID166128833
|
Local ready
Direct docking supported
|
|
E3L031783
BDB031783
|
BDBM635985
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncnc(N5CCOCC5)c4OC)n[nH]c3c1)C(=O)N2C
|
C28H29N7O4 527.585000 |
KXNDZXKNLQHXMY-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635985; PubChem:CID166128945
|
Local ready
Direct docking supported
|
|
E3L031784
BDB031784
|
BDBM635986
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CC(O)C5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C26H25N7O4 499.531000 |
ORDJUNLQKLNVQS-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635986; PubChem:CID166129526
|
Local ready
Direct docking supported
|
|
E3L031785
BDB031785
|
BDBM635987
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cncc(C5COC5)n4)n[nH]c3c1)C(=O)N2
|
C25H22N6O3 454.490000 |
DEJIXZRYCSMTMV-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635987; PubChem:CID166129010
|
Local ready
Direct docking supported
|
|
E3L031786
BDB031786
|
BDBM635988
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5CC5)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C25H21ClN6O2 472.936000 |
NAKCPFJOUSQEKC-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635988; PubChem:CID166128894
|
Local ready
Direct docking supported
|
|
E3L031787
BDB031787
|
BDBM635989
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C(C)C)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C25H23ClN6O2 474.952000 |
VRQRTGHLXIQQAS-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635989; PubChem:CID166129396
|
Local ready
Direct docking supported
|
|
E3L031788
BDB031788
|
BDBM635990
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5COC5)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C25H21ClN6O3 488.935000 |
DJJFVKQYRLKPKZ-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635990; PubChem:CID166128578
|
Local ready
Direct docking supported
|
|
E3L031789
BDB031789
|
BDBM635991
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C5COC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C26H24N6O4 484.516000 |
FWGLARUUMKNZRA-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635991; PubChem:CID166128615
|
Local ready
Direct docking supported
|
|
E3L031790
BDB031790
|
BDBM635992
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CC(O)C5)ncc4Cl)n[nH]c3c1)C(=O)N2
|
C25H22ClN7O3 503.950000 |
IDXKRUHXKNHTIU-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635992; PubChem:CID166129102
|
Local ready
Direct docking supported
|
|
E3L031791
BDB031791
|
BDBM635993
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4OC(F)F)n[nH]c3c1)C(=O)N2
|
C24H20F2N6O3 478.459000 |
DZSFRHLIEUXICV-FYSMJZIKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635993; PubChem:CID166128644
|
Local ready
Direct docking supported
|
|
E3L031792
BDB031792
|
BDBM635994
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)N(C)c3ccccc34)ccc12
|
C24H22N6O2 426.480000 |
PXZRCYBRDGOXPD-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635994; PubChem:CID166128838
|
Local ready
Direct docking supported
|
|
E3L031793
BDB031793
|
BDBM635995
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C)ncc4OC)n[nH]c3c1F)C(=O)N2
|
C24H21FN6O3 460.469000 |
VOJAEHGONMEHQB-FYSMJZIKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635995; PubChem:CID166129411
|
Local ready
Direct docking supported
|
|
E3L031794
BDB031794
|
BDBM635996
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccccc34)ccc12
|
C23H20N6O2 412.453000 |
LJPXHKWPVWLKRN-HJPURHCSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635996; PubChem:CID166128899
|
Local ready
Direct docking supported
|
|
E3L031795
BDB031795
|
BDBM635997
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C(C)C)ncc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N6O3 470.533000 |
OJEKLDYMEMWETM-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635997; PubChem:CID166128885
|
Local ready
Direct docking supported
|
|
E3L031796
BDB031796
|
BDBM635998
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(C)cc34)ccc12
|
C24H22N6O2 426.480000 |
DADQIKMIYWQYKT-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635998; PubChem:CID166128466
|
Local ready
Direct docking supported
|
|
E3L031797
BDB031797
|
BDBM635999
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@]34C(=O)Nc3ccc(C)cc34)ccc12
|
C24H22N6O2 426.480000 |
DADQIKMIYWQYKT-BXKMTCNYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM635999; PubChem:CID166129449
|
Local ready
Direct docking supported
|
|
E3L031798
BDB031798
|
BDBM636000
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(C(C)C)ncc4OC(F)F)n[nH]c3c1)C(=O)N2
|
C26H24F2N6O3 506.513000 |
IDSDMFRHFCCXCH-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636000; PubChem:CID166129210
|
Local ready
Direct docking supported
|
|
E3L031799
BDB031799
|
BDBM636001
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3cccc(F)c34)ccc12
|
C23H19FN6O2 430.443000 |
KJZLFAOURNOQKC-LFVRLGFBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636001; PubChem:CID166128501
|
Local ready
Direct docking supported
|
|
E3L031800
BDB031800
|
BDBM636002
COc1cnc(C)nc1Nc1n[nH]c2cc([C@@H]3C[C@]34C(=O)Nc3cccc(F)c34)ccc12
|
C23H19FN6O2 430.443000 |
KJZLFAOURNOQKC-PSLXWICFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636002; PubChem:CID166128498
|
Local ready
Direct docking supported
|