| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016741
BDB016741
|
BDBM375450
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)N(CC(N)=O)c4ccccc45)ccc23)cc1
|
C30H29N5O2 491.595000 |
JMAJFNCBLPXOQD-BVKINMMPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375450; PubChem:CID67447307
|
Local ready
Direct docking supported
|
|
E3L016742
BDB016742
|
BDBM375451
Cc1cc(/C=C/c2n[nH]c3cc(C4C[C@@]45C(=O)Nc4ccccc45)ccc23)ccn1
|
C25H20N4O 392.462000 |
YBWCJKVFARMIMA-TULZZHCESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375451; PubChem:CID70905362
|
Local ready
Direct docking supported
|
|
E3L016743
BDB016743
|
BDBM375453
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(N5CCNCC5)nc4)n[nH]c3c1)C(=O)N2
|
C29H28N6O2 492.583000 |
PAQMRNLHNTWBJD-JMVCTIAASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375453; PubChem:CID67979052
|
Local ready
Direct docking supported
|
|
E3L016744
BDB016744
|
BDBM375454
CN(C)Cc1cccc(/C=C/c2n[nH]c3cc(C4C[C@@]45C(=O)N(CC(N)=O)c4ccccc45)ccc23)c1
|
C30H29N5O2 491.595000 |
OHAYCEMGXRUYGG-CMBRBMKHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375454; PubChem:CID89967276
|
Local ready
Direct docking supported
|
|
E3L016745
BDB016745
|
BDBM375456
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C29H28N4O2 464.569000 |
DKVKUPRCFKTRIY-OWJSMZNMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375456; PubChem:CID58486357
|
Local ready
Direct docking supported
|
|
E3L016746
BDB016746
|
US9907800, Example A169
Cc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C29H28N4O 448.570000 |
AMDOXMOVSMCRNC-BDVMDIASSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375459; PubChem:CID67979027
|
Local ready
Direct docking supported
|
|
E3L016747
BDB016747
|
US9907800, Example A171
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc(C4C[C@@]45C(=O)Nc4ccc(Cl)cc45)ccc23)cc1
|
C28H25ClN4O 468.988000 |
REMYNLREMFVTGO-CTDUYSGRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375461; PubChem:CID67979021
|
Local ready
Direct docking supported
|
|
E3L016748
BDB016748
|
BDBM375464
Cc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C29H29N5O 463.585000 |
FJVVKSUFKNEUPD-PEFOLFAWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375464; PubChem:CID67978707
|
Local ready
Direct docking supported
|
|
E3L016749
BDB016749
|
BDBM375465
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H31N5O2 505.622000 |
FUXATHVULKQQRU-JYBSWPFGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375465; PubChem:CID67978708
|
Local ready
Direct docking supported
|
|
E3L016750
BDB016750
|
US9907800, Example A175
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C31H31N5O2 505.622000 |
FUXATHVULKQQRU-JRRPKLRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375466; PubChem:CID58486374
|
Local ready
Direct docking supported
|
|
E3L016751
BDB016751
|
BDBM375469
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(CCN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H32N4O3 520.633000 |
XAWWDXITYFPCFQ-ABPSKCOUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375469; PubChem:CID67978710
|
Local ready
Direct docking supported
|
|
E3L016752
BDB016752
|
BDBM375470
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(/C=C/c4ccc(C(=O)N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H31N5O3 533.632000 |
IQXPBGFVXVIFBB-HJLSKYEYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375470; PubChem:CID89967279
|
Local ready
Direct docking supported
|
|
E3L016753
BDB016753
|
BDBM375471
COCCN1C(=O)[C@@]2(CC2c2ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c2)c2ccccc21
|
C31H32N4O2 492.623000 |
CSQJWBIHOOKWIY-VGIPLLNHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375471; PubChem:CID89967280
|
Local ready
Direct docking supported
|
|
E3L016754
BDB016754
|
BDBM375474
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4csc(CN5CCOCC5)c4)n[nH]c3c1)C(=O)N2
|
C29H28N4O3S 512.635000 |
GDNLKCHOVHUYTG-OZIGEZDHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375474; PubChem:CID58486185
|
Local ready
Direct docking supported
|
|
E3L016755
BDB016755
|
BDBM375478
CCN1CCN(c2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(OC)cc56)ccc34)cc2)CC1
|
C32H33N5O2 519.649000 |
DZHGAVNSWQLNGL-WDRRWXMUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375478; PubChem:CID58486216
|
Local ready
Direct docking supported
|
|
E3L016756
BDB016756
|
BDBM375480
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(N5CCN(C(C)C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C33H35N5O2 533.676000 |
DHLDERNFCGMQJP-GMFNXWSISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375480; PubChem:CID58486342
|
Local ready
Direct docking supported
|
|
E3L016757
BDB016757
|
BDBM375482
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(CCO)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C30H31N5O3 509.610000 |
PRDPUQGHWRZOIL-QCDSWUKFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375482; PubChem:CID58486210
|
Local ready
Direct docking supported
|
|
E3L016758
BDB016758
|
BDBM375483
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C6CCCC6)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C33H35N5O2 533.676000 |
AYGRJUNQFFNSQJ-UVMMSNCQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375483; PubChem:CID58486232
|
Local ready
Direct docking supported
|
|
E3L016759
BDB016759
|
BDBM375484
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C6CCCCC6)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C34H37N5O2 547.703000 |
NFXIRBLAZVLHKW-DODOAAEWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375484; PubChem:CID58486324
|
Local ready
Direct docking supported
|
|
E3L016760
BDB016760
|
BDBM375485
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(OCCN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2
|
C32H32N4O4 536.632000 |
DVWFWZJVUADJDU-JBUHHFMZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375485; PubChem:CID58486263
|
Local ready
Direct docking supported
|