| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052481
BDB052481
|
BDBM50318587
COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1
|
C23H23BrN6O 479.382000 |
DDKFQQFHOJBBBE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318587; PubChem:CID46866784
|
Local ready
Direct docking supported
|
|
E3L052482
BDB052482
|
BDBM50318588
Brc1cnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2cccnc2)CC1
|
C27H30BrN7O 548.489000 |
MEZWUQRNUZIXMC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318588; PubChem:CID46866897
|
Local ready
Direct docking supported
|
|
E3L052483
BDB052483
|
BDBM50318589
COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cncnc5)CC4)c3[nH]2)cc1
|
C22H22BrN7O 480.370000 |
HOYPBPPHZUIAPR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318589; PubChem:CID46866785
|
Local ready
Direct docking supported
|
|
E3L052484
BDB052484
|
BDBM50318590
Brc1cnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2cncnc2)CC1
|
C26H29BrN8O 549.477000 |
GHFLJXVPVDOMRW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318590; PubChem:CID46866898
|
Local ready
Direct docking supported
|
|
E3L052485
BDB052485
|
BDBM50318591
COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(Cl)cc5)CC4)c3[nH]2)cc1
|
C24H23BrClN5O 512.839000 |
HVZNKPWGHREOMW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318591; PubChem:CID46866786
|
Local ready
Direct docking supported
|
|
E3L052486
BDB052486
|
BDBM50318592
Clc1ccc(CN2CCN(c3c(Br)cnc4[nH]c(-c5ccc(CN6CCOCC6)cc5)nc34)CC2)cc1
|
C28H30BrClN6O 581.946000 |
IZRXRZKKTJHSGV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318592; PubChem:CID46224500
|
Local ready
Direct docking supported
|
|
E3L052487
BDB052487
|
BDBM50318593
COc1ccc(-c2nc3ncc(Br)c(N4CCN(CC5CC5)CC4)c3[nH]2)cc1
|
C21H24BrN5O 442.361000 |
SJSGETNZEOIGHE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318593; PubChem:CID46866787
|
Local ready
Direct docking supported
|
|
E3L052488
BDB052488
|
BDBM50318594
COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cc1
|
C22H23BrN6O2 483.370000 |
SEYBFHKBOFYLIF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318594; PubChem:CID46866788
|
Local ready
Direct docking supported
|
|
E3L052489
BDB052489
|
BDBM50318595
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN6CCOCC6)cc5)[nH]c34)CC2)no1
|
C26H30BrN7O2 552.477000 |
NWPFROXAYMXLFA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318595; PubChem:CID46867128
|
Local ready
Direct docking supported
|
|
E3L052490
BDB052490
|
BDBM50318596
Cc1cc(CN2CCN(c3c(Br)cnc4nc(N5CCN(C)CC5)[nH]c34)CC2)no1
|
C20H27BrN8O 475.395000 |
FZTUPODAEPTYNG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318596; PubChem:CID46889932
|
Local ready
Direct docking supported
|
|
E3L052491
BDB052491
|
BDBM50318597
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(N5CCN(C)CC5)[nH]c34)CC2)no1
|
C20H27ClN8O 430.944000 |
UUGWPYPNRZQDFO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318597; PubChem:CID46889933
|
Local ready
Direct docking supported
|
|
E3L052492
BDB052492
|
BDBM50318598
CC(C)c1nc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN6CCOCC6)cc5)[nH]c34)CC2)co1
|
C28H34BrN7O2 580.531000 |
ZZBXTDWYODKLOO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318598; PubChem:CID23585534
|
Local ready
Direct docking supported
|
|
E3L052493
BDB052493
|
BDBM50318599
COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5nccn5C)CC4)c3[nH]2)cc1
|
C22H24BrN7O 482.386000 |
CLFPAGLHVAKYPT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318599; PubChem:CID46866895
|
Local ready
Direct docking supported
|
|
E3L052494
BDB052494
|
BDBM50318600
Cn1ccnc1CN1CCN(c2c(Br)cnc3nc(-c4ccc(CN5CCOCC5)cc4)[nH]c23)CC1
|
C26H31BrN8O 551.493000 |
CMBJRFZUXFLZFO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318600; PubChem:CID46867015
|
Local ready
Direct docking supported
|
|
E3L052495
BDB052495
|
BDBM50318601
COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cscn5)CC4)c3[nH]2)cc1
|
C21H21BrN6OS 485.411000 |
NTHPWFWTUVCOKW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318601; PubChem:CID46866896
|
Local ready
Direct docking supported
|
|
E3L052496
BDB052496
|
BDBM50318602
Brc1cnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2cscn2)CC1
|
C25H28BrN7OS 554.518000 |
MZFFGJQGKDRXET-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318602; PubChem:CID46867016
|
Local ready
Direct docking supported
|
|
E3L052497
BDB052497
|
BDBM50318603
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN6CCNCC6)cc5)[nH]c34)CC2)no1
|
C26H31BrN8O 551.493000 |
LCBDAPTXZRZOKX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318603; PubChem:CID25153410
|
Local ready
Direct docking supported
|
|
E3L052498
BDB052498
|
BDBM50318604
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN(C)C)cc5)[nH]c34)CC2)no1
|
C24H28BrN7O 510.440000 |
MAAOTDJLPPSMRD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318604; PubChem:CID25153837
|
Local ready
Direct docking supported
|
|
E3L052499
BDB052499
|
BDBM50318605
Cc1cc(CN2CCN(c3c(Br)cnc4nc(-c5ccc(CN)cc5)[nH]c34)CC2)no1
|
C22H24BrN7O 482.386000 |
HNMBJHAAEKLSFS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318605; PubChem:CID25153836
|
Local ready
Direct docking supported
|
|
E3L052500
BDB052500
|
BDBM50318606
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(CN)cc5)[nH]c34)CC2)no1
|
C22H24ClN7O 437.935000 |
BLVOITZPKDXRCK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50318606; PubChem:CID25151778
|
Local ready
Direct docking supported
|