| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003761
BDB003761
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5
CC1CCN(S(=O)(=O)c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2)CC1
|
C25H28N6O3S 492.605000 |
BOQOQFWDFXIKGR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86600; PubChem:CID57340654
|
Local ready
Direct docking supported
|
|
E3L003762
BDB003762
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 7
CCN1CCN(C(=O)c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2)CC1
|
C26H29N7O2 471.565000 |
QDKAHXFKNDNBHM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86601; PubChem:CID57340655
|
Local ready
Direct docking supported
|
|
E3L003763
BDB003763
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 8
CCN1CCN(C(=O)Cc2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2)CC1
|
C27H31N7O2 485.592000 |
VIVMIDXUVLTISY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86602; PubChem:CID57340656
|
Local ready
Direct docking supported
|
|
E3L003764
BDB003764
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 10
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(OCc4cccc(F)c4)cc3)ncc21
|
C26H22FN5O2 455.493000 |
ZOAKQENCPNJUTG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86603; PubChem:CID57340657
|
Local ready
Direct docking supported
|
|
E3L003765
BDB003765
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(OCc4ccccn4)cc3)ncc21
|
C25H22N6O2 438.491000 |
HBAXHVRVIHMVIE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86604; PubChem:CID57340658
|
Local ready
Direct docking supported
|
|
E3L003766
BDB003766
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 11
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(OCc4cccc(Cl)c4)cc3)ncc21
|
C26H22ClN5O2 471.948000 |
MOAAJQGICJEPNH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86605; PubChem:CID57340659
|
Local ready
Direct docking supported
|
|
E3L003767
BDB003767
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 12
CN1CCN(C(=O)c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C26H26F3N7O2 525.535000 |
XEUIIWAFFDHEEJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86606; PubChem:CID57340660
|
Local ready
Direct docking supported
|
|
E3L003768
BDB003768
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 13
CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C25H26F3N7O 497.525000 |
OTHOIVJRAHPREM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86607; PubChem:CID57340661
|
Local ready
Direct docking supported
|
|
E3L003769
BDB003769
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 14
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncc21
|
C25H21ClN6O2 472.936000 |
DHGCUTOPNQKCLE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86608; PubChem:CID57340662
|
Local ready
Direct docking supported
|
|
E3L003770
BDB003770
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 15
CN1CCN(C(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)c2)CC1
|
C25H27N7O2 457.538000 |
DANZDGFOXAPZIE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86609; PubChem:CID57340663
|
Local ready
Direct docking supported
|
|
E3L003771
BDB003771
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 16
CN1CCN(Cc2cccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)c2)CC1
|
C25H29N7O 443.555000 |
XLUIYTJCFLMYKF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86610; PubChem:CID57340664
|
Local ready
Direct docking supported
|
|
E3L003772
BDB003772
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 17
CN1CCN(c2cccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)c2)CC1
|
C24H27N7O 429.528000 |
HNXLEVKZEPXIAQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86611; PubChem:CID57340665
|
Local ready
Direct docking supported
|
|
E3L003773
BDB003773
|
BDBM86612
CN1c2ccccc2C(=O)Nc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)nc21
|
C23H24N6O2 416.485000 |
AGLKBEPKKDHHKY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86612; PubChem:CID57340666
|
Local ready
Direct docking supported
|
|
E3L003774
BDB003774
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 19
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(C(=O)N4CCC(O)CC4)c(C(F)(F)F)c3)ncc21
|
C26H25F3N6O3 526.519000 |
HJQMKDZFPSWOEL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86613; PubChem:CID57340667
|
Local ready
Direct docking supported
|
|
E3L003775
BDB003775
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 20
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(C(=O)N4CCC(O)CC4)c(Cl)c3)ncc21
|
C25H25ClN6O3 492.967000 |
FGKOFCQQLIEQOZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86614; PubChem:CID57340668
|
Local ready
Direct docking supported
|
|
E3L003776
BDB003776
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 21
Cc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)ccc1C(=O)N1CCN(C)CC1
|
C26H29N7O2 471.565000 |
PHENCDSAYZNXRO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86615; PubChem:CID57340669
|
Local ready
Direct docking supported
|
|
E3L003777
BDB003777
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 22
COc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)ccc1C(=O)N1CCN(O)CC1
|
C25H27N7O4 489.536000 |
RWCPLVNQNAADEI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86616; PubChem:CID57340670
|
Local ready
Direct docking supported
|
|
E3L003778
BDB003778
|
BDBM86617
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C27H30F3N7O 525.579000 |
PXGLIUGVLBRUBV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86617; PubChem:CID57340671
|
Local ready
Direct docking supported
|
|
E3L003779
BDB003779
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 24
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C(C)C)c3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C29H34F3N7O 553.633000 |
VPXPFQKSFBPCEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86618; PubChem:CID57340672
|
Local ready
Direct docking supported
|
|
E3L003780
BDB003780
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 25
CCN1CCN(Cc2ccc(Nc3ncc4c(n3)N(C3CCCC3)c3ccccc3C(=O)N4C)cc2C(F)(F)F)CC1
|
C31H36F3N7O 579.671000 |
BMXRDHNZHRBTAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM86619; PubChem:CID57340673
|
Local ready
Direct docking supported
|