| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044821
BDB044821
|
BDBM50044651
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC(F)F)cc45)ccc23)cc1
|
C29H26F2N4O2 500.549000 |
JILOKERUAWMFHD-ZYHKEOPXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044651; PubChem:CID67955967
|
Local ready
Direct docking supported
|
|
E3L044822
BDB044822
|
BDBM50044652
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(F)cc45)ccc23)cc1
|
C28H25FN4O 452.533000 |
MXHNOOPFCLFDID-QADLAGKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044652; PubChem:CID58486277
|
Local ready
Direct docking supported
|
|
E3L044823
BDB044823
|
BDBM50044656
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C29H28N4O2 464.569000 |
DKVKUPRCFKTRIY-IRIFPNPLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044656; PubChem:CID58486384
|
Local ready
Direct docking supported
|
|
E3L044824
BDB044824
|
BDBM50044657
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1
|
C28H26N4O 434.543000 |
NZBZBQUHFXSFOR-VXPCJWDYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044657; PubChem:CID58486197
|
Local ready
Direct docking supported
|
|
E3L044825
BDB044825
|
BDBM50044658
Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)c(C)n1
|
C26H22N4O 406.489000 |
HPJPZVODQVTPBB-PYEYBSRVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044658; PubChem:CID58486340
|
Local ready
Direct docking supported
|
|
E3L044826
BDB044826
|
BDBM50044659
Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cn1
|
C25H20N4O 392.462000 |
OBBHEQWFNSGHCN-IQGZWHSZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044659; PubChem:CID58486240
|
Local ready
Direct docking supported
|
|
E3L044827
BDB044827
|
BDBM50044660
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3cccnc3)n[nH]c2c1
|
C24H18N4O 378.435000 |
SXAOLYUXAFWLCI-UXFRTJKQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044660; PubChem:CID58486164
|
Local ready
Direct docking supported
|
|
E3L044828
BDB044828
|
BDBM50044662
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCCC4)cc3)n[nH]c2c1
|
C30H28N4O 460.581000 |
LYJJDILNOAREKN-SNTYCMLESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044662; PubChem:CID58486236
|
Local ready
Direct docking supported
|
|
E3L044829
BDB044829
|
BDBM50044663
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2cn[nH]c2c1
|
C17H13N3O 275.311000 |
RJUIETDWZAGQNR-GUYCJALGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044663; PubChem:CID58486367
|
Local ready
Direct docking supported
|
|
E3L044830
BDB044830
|
BDBM50044664
CCN(CC)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1
|
C30H30N4O 462.597000 |
FHWXCLBOLGLXLG-UCSYVJORSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044664; PubChem:CID58486167
|
Local ready
Direct docking supported
|
|
E3L044831
BDB044831
|
BDBM50044666
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccncc3)n[nH]c2c1
|
C24H18N4O 378.435000 |
BUMGKNPRCXMAGM-FVOFJUMPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044666; PubChem:CID58486267
|
Local ready
Direct docking supported
|
|
E3L044832
BDB044832
|
BDBM50044667
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCCCC4)cc3)n[nH]c2c1
|
C31H30N4O 474.608000 |
QRDCBCOPUDYBCB-CUQMHDSBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044667; PubChem:CID58486175
|
Local ready
Direct docking supported
|
|
E3L044833
BDB044833
|
BDBM50044668
Cc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H30N4O2 490.607000 |
AHXHWEURVLCQAX-MDTIIALHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044668; PubChem:CID58486171
|
Local ready
Direct docking supported
|
|
E3L044834
BDB044834
|
BDBM50044669
O=C1Nc2ccc(F)cc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
|
C30H27FN4O2 494.570000 |
DQTLTCIEAKFGBZ-DNGGJULVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044669; PubChem:CID58486191
|
Local ready
Direct docking supported
|
|
E3L044835
BDB044835
|
BDBM50044670
CN1CCN(Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1
|
C31H31N5O 489.623000 |
GHVNNCGXWGZXJH-DAGBDIRBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044670; PubChem:CID58486301
|
Local ready
Direct docking supported
|
|
E3L044836
BDB044836
|
BDBM50044672
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4cc(F)c(CN5CCOCC5)c(F)c4)n[nH]c3c1)C(=O)N2
|
C31H28F2N4O3 542.586000 |
UZFYLZWGFGEELR-RQUXZYNKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044672; PubChem:CID58486381
|
Local ready
Direct docking supported
|
|
E3L044837
BDB044837
|
BDBM50044673
CCc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C30H30N4O 462.597000 |
FEICYOZUBXMTLA-GMWMDPDHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044673; PubChem:CID58486282
|
Local ready
Direct docking supported
|
|
E3L044838
BDB044838
|
BDBM50044674
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H30N4O3 506.606000 |
RMGQWXVHWUUVLJ-DSUKGUNVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044674; PubChem:CID56962121
|
Local ready
Direct docking supported
|
|
E3L044839
BDB044839
|
BDBM50044675
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCOCC4)cc3)n[nH]c2c1
|
C30H28N4O2 476.580000 |
RBNRSVPXZPBXCD-LUCHDKOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50044675; PubChem:CID58486169
|
Local ready
Direct docking supported
|
|
E3L044840
BDB044840
|
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
|
C16H19NO3S 305.399000 |
FQUAFMNPXPXOJE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50044849; PubChem:CID743974
|
Local ready
Direct docking supported
|