| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031841
BDB031841
|
BDBM636044
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CC(F)(F)C5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C26H23F2N7O3 519.512000 |
RKFHHTFCUQMIGM-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636044; PubChem:CID166128974
|
Local ready
Direct docking supported
|
|
E3L031842
BDB031842
|
BDBM636045
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CC(F)C5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C26H24FN7O3 501.522000 |
AMKGWZMBMZFCTO-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636045; PubChem:CID166129392
|
Local ready
Direct docking supported
|
|
E3L031843
BDB031843
|
BDBM636046
CCS(=O)(=O)c1ccc(OC)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c1
|
C27H26N4O5S 518.595000 |
YKGDKYRGCMBVBL-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636046; PubChem:CID166128849
|
Local ready
Direct docking supported
|
|
E3L031844
BDB031844
|
BDBM636047
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(=O)N(C)C)ccc4OC)n[nH]c3c1)C(=O)N2
|
C28H27N5O4 497.555000 |
WECGXYJJXFPIPR-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636047; PubChem:CID166128861
|
Local ready
Direct docking supported
|
|
E3L031845
BDB031845
|
BDBM636048
CNC(=O)c1ccc(OC)c(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c1
|
C27H25N5O4 483.528000 |
OCNAOLOZCUFOQW-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636048; PubChem:CID166129028
|
Local ready
Direct docking supported
|
|
E3L031846
BDB031846
|
BDBM636049
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(S(=O)(=O)C(C)C)ccc4OC)n[nH]c3c1)C(=O)N2
|
C28H28N4O5S 532.622000 |
XCBMTRNBFYJXTR-KMRXNPHXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636049; PubChem:CID166129456
|
Local ready
Direct docking supported
|
|
E3L031847
BDB031847
|
BDBM636050
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(S(=O)(=O)N(C)C)ccc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N5O5S 533.610000 |
PTCPUYXYTPVFQC-DCFHFQCYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636050; PubChem:CID166128765
|
Local ready
Direct docking supported
|
|
E3L031848
BDB031848
|
BDBM636051
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(=O)N5CCOCC5)ccc4OC)n[nH]c3c1)C(=O)N2
|
C30H29N5O5 539.592000 |
UPLNZAJPWFAJCR-CHJDUVSTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636051; PubChem:CID166128494
|
Local ready
Direct docking supported
|
|
E3L031849
BDB031849
|
BDBM636052
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(=O)N(C)C)cnc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O4 498.543000 |
WJYKSEUTEHWCLZ-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636052; PubChem:CID166129520
|
Local ready
Direct docking supported
|
|
E3L031850
BDB031850
|
BDBM636053
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N(C)C)ncc4C)n[nH]c3c1)C(=O)N2
|
C25H25N7O2 455.522000 |
UZTAKXKQQVMUNQ-BVZFJXPGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636053; PubChem:CID166129400
|
Local ready
Direct docking supported
|
|
E3L031851
BDB031851
|
BDBM636054
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5CCOCC5)nc4OC)n[nH]c3c1)C(=O)N2
|
C29H28N6O5 540.580000 |
ZDXVFTIWQLMEIZ-WRONEBCDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636054; PubChem:CID166129039
|
Local ready
Direct docking supported
|
|
E3L031852
BDB031852
|
BDBM636055
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5CC(F)(F)C5)nc4OC)n[nH]c3c1)C(=O)N2
|
C28H24F2N6O4 546.534000 |
HRMGCIFUMNALED-JMQGSBJISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636055; PubChem:CID166128659
|
Local ready
Direct docking supported
|
|
E3L031853
BDB031853
|
BDBM636056
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5CCC(F)(F)CC5)nc4OC)n[nH]c3c1)C(=O)N2
|
C30H28F2N6O4 574.588000 |
VVFYYEUTPUGPNR-WRGVRERRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636056; PubChem:CID166129199
|
Local ready
Direct docking supported
|
|
E3L031854
BDB031854
|
BDBM636057
COc1ccc2c(c1)[C@]1(C[C@H]1c1cc(F)c3c(Nc4nc(SC)ncc4OC)n[nH]c3c1)C(=O)N2
|
C24H21FN6O3S 492.536000 |
GJFMMVDSDLIPNN-BSEYFRJRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636057; PubChem:CID166129339
|
Local ready
Direct docking supported
|
|
E3L031855
BDB031855
|
BDBM636058
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(OC)ncc4C)n[nH]c3c1)C(=O)N2
|
C24H22N6O3 442.479000 |
LICZLVVAGKBEKQ-XDHUDOTRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636058; PubChem:CID166128608
|
Local ready
Direct docking supported
|
|
E3L031856
BDB031856
|
BDBM636059
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5CC6(COC6)C5)nc4OC)n[nH]c3c1)C(=O)N2
|
C30H28N6O5 552.591000 |
HREKPXNZMHBLJN-WRGVRERRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636059; PubChem:CID166129038
|
Local ready
Direct docking supported
|
|
E3L031857
BDB031857
|
BDBM636060
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCC(F)(F)CC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C28H27F2N7O3 547.566000 |
QYRNNGHSHFUOFR-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636060; PubChem:CID166129245
|
Local ready
Direct docking supported
|
|
E3L031858
BDB031858
|
BDBM636061
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CCS(=O)(=O)CC5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N7O5S 561.624000 |
MMUWRPSFAYHCTP-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636061; PubChem:CID166128533
|
Local ready
Direct docking supported
|
|
E3L031859
BDB031859
|
BDBM636062
CNC(=O)c1ccc(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c(OC)n1
|
C26H24N6O4 484.516000 |
UIJBTFOXBSSWCE-QLXKLKPCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636062; PubChem:CID166129114
|
Local ready
Direct docking supported
|
|
E3L031860
BDB031860
|
BDBM636063
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc(N5CC6(COC6)C5)ncc4OC)n[nH]c3c1)C(=O)N2
|
C28H27N7O4 525.569000 |
BEGKKZAQUXVRLX-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636063; PubChem:CID166129023
|
Local ready
Direct docking supported
|