| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031901
BDB031901
|
BDBM636106
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(C(=O)N5CC(OC)C5)cc4OC)n[nH]c3c1)C(=O)N2
|
C29H28N6O5 540.580000 |
BXCLMWKUQGBIJK-LGGPFLRQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636106; PubChem:CID166129238
|
Local ready
Direct docking supported
|
|
E3L031902
BDB031902
|
BDBM636107
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(C(=O)N(C)C)nc4OC)n[nH]c3c1)C(=O)N2
|
C26H25N7O4 499.531000 |
BNCUORANSSPIJN-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636107; PubChem:CID166128959
|
Local ready
Direct docking supported
|
|
E3L031903
BDB031903
|
BDBM636108
CCOc1nc(C(=O)N(C)C)cnc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C27H27N7O4 513.558000 |
HHOAPOCSKSWJEV-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636108; PubChem:CID166128787
|
Local ready
Direct docking supported
|
|
E3L031904
BDB031904
|
BDBM636109
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C)c(C(=O)N(C)C)nc4OC)n[nH]c3c1)C(=O)N2
|
C28H28N6O4 512.570000 |
USYYTOCVNAELEK-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636109; PubChem:CID166128572
|
Local ready
Direct docking supported
|
|
E3L031905
BDB031905
|
BDBM636110
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc([S+](C)[O-])nc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O4S 489.557000 |
JHIXLFUYHWBARZ-QOTOOMPQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636110; PubChem:CID166128856
|
Local ready
Direct docking supported
|
|
E3L031906
BDB031906
|
BDBM636112
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cnc(S(C)(=O)=O)cc4OC)n[nH]c3c1)C(=O)N2
|
C25H23N5O5S 505.556000 |
WVGYXYZYFSSTFT-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636112; PubChem:CID166128909
|
Local ready
Direct docking supported
|
|
E3L031907
BDB031907
|
BDBM636113
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(C)(=O)=O)nc4OC)n[nH]c3c1)C(=O)N2
|
C24H22N6O5S 506.544000 |
VMQANPBVERMFIJ-FYSMJZIKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636113; PubChem:CID166129012
|
Local ready
Direct docking supported
|
|
E3L031908
BDB031908
|
BDBM636114
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N(C5CC5)C5CC5)nc4OC)n[nH]c3c1)C(=O)N2
|
C31H30N6O4 550.619000 |
YLDZSOOIPBFXEN-UGDMGKLASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636114; PubChem:CID166128732
|
Local ready
Direct docking supported
|
|
E3L031909
BDB031909
|
BDBM636115
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)NCC(F)F)nc4OC)n[nH]c3c1)C(=O)N2
|
C27H24F2N6O4 534.523000 |
MPUKOARMEBDIDZ-SOKVYYICSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636115; PubChem:CID166128471
|
Local ready
Direct docking supported
|
|
E3L031910
BDB031910
|
BDBM636116
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5[C@H](C)CCC[C@@H]5C)nc4OC)n[nH]c3c1)C(=O)N2
|
C32H34N6O4 566.662000 |
HWDCMQBNOROFEQ-QSAKAMNFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636116; PubChem:CID166128482
|
Local ready
Direct docking supported
|
|
E3L031911
BDB031911
|
BDBM636117
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5CC6CCC(C5)O6)nc4OC)n[nH]c3c1)C(=O)N2
|
C31H30N6O5 566.618000 |
OZGUGQSGXNMCNT-ZWQVTODBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636117; PubChem:CID166129009
|
Local ready
Direct docking supported
|
|
E3L031912
BDB031912
|
BDBM636118
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(C)(=O)=O)cc4Cl)n[nH]c3c1)C(=O)N2
|
C24H20ClN5O4S 509.975000 |
DVEDELWBVVPUPX-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636118; PubChem:CID166128520
|
Local ready
Direct docking supported
|
|
E3L031913
BDB031913
|
BDBM636119
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)C(C)C)cc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N5O5S 533.610000 |
CRIUUFBOLAJGNR-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636119; PubChem:CID166129270
|
Local ready
Direct docking supported
|
|
E3L031914
BDB031914
|
BDBM636120
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cnc(P(C)(C)=O)cc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N5O4P 503.499000 |
GSTFLZHQBFRGTM-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636120; PubChem:CID166129274
|
Local ready
Direct docking supported
|
|
E3L031915
BDB031915
|
BDBM636121
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)NC(CF)CF)nc4OC)n[nH]c3c1)C(=O)N2
|
C28H26F2N6O4 548.550000 |
LIUOIZMHHPJCCK-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636121; PubChem:CID166128459
|
Local ready
Direct docking supported
|
|
E3L031916
BDB031916
|
BDBM636122
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N(C)C)nc4Cl)n[nH]c3c1)C(=O)N2
|
C26H23ClN6O3 502.962000 |
HOZCGFJBIZZKTL-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636122; PubChem:CID166129413
|
Local ready
Direct docking supported
|
|
E3L031917
BDB031917
|
BDBM636123
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc5oc(C)nc5cc4Cl)n[nH]c3c1)C(=O)N2
|
C26H20ClN5O3 485.931000 |
CFENVNHTIXCDHE-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636123; PubChem:CID166129330
|
Local ready
Direct docking supported
|
|
E3L031918
BDB031918
|
BDBM636124
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cnc(C(=O)N(C)C)cc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O4 498.543000 |
IXIQSDVVXYFVAG-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636124; PubChem:CID166129404
|
Local ready
Direct docking supported
|
|
E3L031919
BDB031919
|
BDBM636125
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(C5CS(=O)(=O)C5)nc4OC)n[nH]c3c1)C(=O)N2
|
C26H24N6O5S 532.582000 |
XSXNOQJYDZWMGX-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636125; PubChem:CID166128534
|
Local ready
Direct docking supported
|
|
E3L031920
BDB031920
|
BDBM636126
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(S(=O)(=O)N5CCOCC5)cc4OC)n[nH]c3c1)C(=O)N2
|
C28H28N6O6S 576.635000 |
OHDDAHALDZFALJ-KMRXNPHXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636126; PubChem:CID166129409
|
Local ready
Direct docking supported
|