| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052901
BDB052901
|
BDBM50330551
CC1=Nc2[nH]ncc2C(c2ccccc2)C1C(=O)Nc1ccc([N+](=O)[O-])cc1
|
C20H17N5O3 375.388000 |
JYUQECFASOQQRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330551; PubChem:CID91933586
|
Local ready
Direct docking supported
|
|
E3L052902
BDB052902
|
BDBM50330552
CC1=Nc2[nH]ncc2C(c2cccs2)C1C(=O)Nc1ccc(C(F)(F)F)cc1
|
C19H15F3N4OS 404.417000 |
KBCXNVSUKKCULU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330552; PubChem:CID91933587
|
Local ready
Direct docking supported
|
|
E3L052903
BDB052903
|
BDBM50330553
CC1=Nc2[nH]ncc2C(c2ccccc2)C1C(=O)Nc1ccc(C(F)(F)F)cc1
|
C21H17F3N4O 398.388000 |
LVSQCFHJTJHJOZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330553; PubChem:CID91933588
|
Local ready
Direct docking supported
|
|
E3L052904
BDB052904
|
BDBM50330554
CC1=Nc2[nH]ncc2C(c2ccco2)C1C(=O)Nc1ccc(F)c(Cl)c1
|
C18H14ClFN4O2 372.787000 |
VFYQKLRNEALTCH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330554; PubChem:CID91933589
|
Local ready
Direct docking supported
|
|
E3L052905
BDB052905
|
BDBM50330555
CC1=Nc2[nH]ncc2C(c2cccs2)C1C(=O)Nc1ccc(F)c(Cl)c1
|
C18H14ClFN4OS 388.855000 |
PGIBSYNUCQPZHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330555; PubChem:CID91933590
|
Local ready
Direct docking supported
|
|
E3L052906
BDB052906
|
BDBM50330556
CC1=Nc2[nH]ncc2C(c2cccs2)C1C(=O)Nc1ccc([N+](=O)[O-])cc1
|
C18H15N5O3S 381.417000 |
DYEIBCPQVRZFSX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330556; PubChem:CID91933591
|
Local ready
Direct docking supported
|
|
E3L052907
BDB052907
|
BDBM50330557
CC1=Nc2nc3ccccc3n2C(c2ccco2)C1C(=O)Nc1ccc(F)c(Cl)c1
|
C22H16ClFN4O2 422.847000 |
KYCWRDXLEJWCRP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330557; PubChem:CID91933592
|
Local ready
Direct docking supported
|
|
E3L052908
BDB052908
|
BDBM50330558
CC1=Nc2[nH]ncc2C(c2ccco2)C1C(=O)Nc1ccc(C(F)(F)F)cc1
|
C19H15F3N4O2 388.349000 |
RCUADYZTTCAPPL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330558; PubChem:CID91933593
|
Local ready
Direct docking supported
|
|
E3L052909
BDB052909
|
BDBM50330559
CC1=Nc2nc3ccccc3n2C(c2ccco2)C1C(=O)Nc1ccc(C(F)(F)F)cc1
|
C23H17F3N4O2 438.409000 |
YKFOOSGTARVOII-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330559; PubChem:CID91933594
|
Local ready
Direct docking supported
|
|
E3L052910
BDB052910
|
BDBM50330560
COc1ccc(NC(=O)C2C(C)=Nc3nc4ccccc4n3C2c2ccco2)cc1
|
C23H20N4O3 400.438000 |
WUXODEPKVBXYQX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330560; PubChem:CID91933595
|
Local ready
Direct docking supported
|
|
E3L052911
BDB052911
|
BDBM50330561
CC1=Nc2[nH]ncc2C(c2ccco2)C1C(=O)Nc1ccc([N+](=O)[O-])cc1
|
C18H15N5O4 365.349000 |
AOKRNXAAQOAWLR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330561; PubChem:CID91933596
|
Local ready
Direct docking supported
|
|
E3L052912
BDB052912
|
BDBM50330562
COc1ccc(NC(=O)C2C(C)=Nc3[nH]ncc3C2c2ccccc2)cc1
|
C21H20N4O2 360.417000 |
LNEHQIIXFLTJKG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330562; PubChem:CID91933597
|
Local ready
Direct docking supported
|
|
E3L052913
BDB052913
|
BDBM50330563
CC1=Nc2nc3ccccc3n2C(c2ccco2)C1C(=O)Nc1ccc([N+](=O)[O-])cc1
|
C22H17N5O4 415.409000 |
PPOWHZRYXUCWMA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330563; PubChem:CID91933598
|
Local ready
Direct docking supported
|
|
E3L052914
BDB052914
|
BDBM50330564
CC1=Nc2nc3ccccc3n2C(c2ccco2)C1C(=O)Nc1ccc(F)cc1
|
C22H17FN4O2 388.402000 |
VRXAOUYMQGHMEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330564; PubChem:CID91933599
|
Local ready
Direct docking supported
|
|
E3L052915
BDB052915
|
BDBM50330565
CC1=Nc2[nH]ncc2C(c2ccco2)C1C(=O)Nc1ccc(F)cc1
|
C18H15FN4O2 338.342000 |
VSMLWNDXDGJMSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50330565; PubChem:CID91933600
|
Local ready
Direct docking supported
|
|
E3L052916
BDB052916
|
Cediranib
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
|
C25H27FN4O3 450.514000 |
XXJWYDDUDKYVKI-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50331096; PubChem:CID9933475
|
Local ready
Direct docking supported
|
|
E3L052917
BDB052917
|
3-(6-methoxy-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
COc1ccc2cc(-c3n[nH]c4cccnc34)[nH]c2c1
|
C15H12N4O 264.288000 |
PRASIGARSOSUQT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50331277; PubChem:CID136183413
|
Local ready
Direct docking supported
|
|
E3L052918
BDB052918
|
N-(4-methoxybenzyl)benzofuro[2,3-b]pyridin-4-amine
COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
|
C19H16N2O2 304.349000 |
MNMQBQOLMHVBJT-UHFFFAOYSA-N | O14965, P51617 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50331612; PubChem:CID50908681
|
Local ready
Direct docking supported
|
|
E3L052919
BDB052919
|
Fedratinib
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1
|
C27H36N6O3S 524.691000 |
JOOXLOJCABQBSG-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50332294; PubChem:CID16722836
|
Local ready
Direct docking supported
|
|
E3L052920
BDB052920
|
4-nitrophenyl 1,3-diphenyl-1H-pyrazole-4-carboxylate
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
|
C22H15N3O4 385.379000 |
LGQXIBDZTQDVOR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50332458; PubChem:CID1284989
|
Local ready
Direct docking supported
|