| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000741
BDB000741
|
BDBM24714
Cc1[nH]nc2c1CCc1c-2[nH]c2ccccc12
|
C14H13N3 223.279000 |
HIJHIBWSHVXXGO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24714; PubChem:CID135929094
|
Local ready
Direct docking supported
|
|
E3L000742
BDB000742
|
BDBM24715
c1ccc2c3c([nH]c2c1)-c1n[nH]c(C2CC2)c1CC3
|
C16H15N3 249.317000 |
UFESQQQWTVKFRP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24715; PubChem:CID135929095
|
Local ready
Direct docking supported
|
|
E3L000743
BDB000743
|
BDBM24716
CCOC(=O)c1[nH]nc2c1CCc1c-2[nH]c2ccccc12
|
C16H15N3O2 281.315000 |
QHWAAKZCUILDML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24716; PubChem:CID135432839
|
Local ready
Direct docking supported
|
|
E3L000744
BDB000744
|
BDBM24717
OCc1[nH]nc2c1CCc1c-2[nH]c2ccccc12
|
C14H13N3O 239.278000 |
YYDWICBIUPSXIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24717; PubChem:CID135929096
|
Local ready
Direct docking supported
|
|
E3L000745
BDB000745
|
2-(5-Methyl-1H-pyrazol-3-yl)-1H-indole
Cc1cc(-c2cc3ccccc3[nH]2)n[nH]1
|
C12H11N3 197.241000 |
YLKJJERCKRGNPB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24718; PubChem:CID135929097
|
Local ready
Direct docking supported
|
|
E3L000746
BDB000746
|
BDBM24719
Cc1[nH]nc2c1Cc1c-2[nH]c2ccccc12
|
C13H11N3 209.252000 |
JHGGFQICWDUZTH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24719; PubChem:CID135929098
|
Local ready
Direct docking supported
|
|
E3L000747
BDB000747
|
BDBM24720
Cc1[nH]nc2c1CCCc1c-2[nH]c2ccccc12
|
C15H15N3 237.306000 |
HEOHDCAIYRDHHZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24720; PubChem:CID135929099
|
Local ready
Direct docking supported
|
|
E3L000748
BDB000748
|
Aki-001
CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1c-4n[nH]c1C
|
C21H24N4O 348.450000 |
AOMMPEGZDRAGRC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24721; PubChem:CID135564980
|
Local ready
Direct docking supported
|
|
E3L000749
BDB000749
|
BDBM24722
Cc1[nH]nc2c1CCCc1c-2[nH]c2cc3c(cc12)NC(=O)C3(C)C
|
C19H20N4O 320.396000 |
FAZCZSABHVLDMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24722; PubChem:CID135929100
|
Local ready
Direct docking supported
|
|
E3L000750
BDB000750
|
BDBM24723
Cc1[nH]nc2c1CCCc1c-2[nH]c2cc3c(cc12)C(C)(C)C(=O)N3
|
C19H20N4O 320.396000 |
HRQZDSHGKWEGEH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24723; PubChem:CID135929101
|
Local ready
Direct docking supported
|
|
E3L000751
BDB000751
|
Motesanib
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21
|
C22H23N5O 373.460000 |
RAHBGWKEPAQNFF-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM24773; PubChem:CID11667893
|
Local ready
Direct docking supported
|
|
E3L000752
BDB000752
|
Juglone
O=C1C=CC(=O)c2c(O)cccc21
|
C10H6O3 174.155000 |
KQPYUDDGWXQXHS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM24777; PubChem:CID3806
|
Local ready
Direct docking supported
|
|
E3L000753
BDB000753
|
Menadione
CC1=CC(=O)c2ccccc2C1=O
|
C11H8O2 172.183000 |
MJVAVZPDRWSRRC-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM24778; PubChem:CID4055
|
Local ready
Direct docking supported
|
|
E3L000754
BDB000754
|
Gsk 690693
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21
|
C21H27N7O3 425.493000 |
KGPGFQWBCSZGEL-ZDUSSCGKSA-N | O14965, O95835, P51617, Q13233, Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM25013; PubChem:CID16725726
|
Local ready
Direct docking supported
|
|
E3L000755
BDB000755
|
Pictilisib
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
|
C23H27N7O3S2 513.649000 |
LHNIIDJUOCFXAP-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Serine/threonine-protein kinase LATS1, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM25028; PubChem:CID17755052
|
Local ready
Direct docking supported
|
|
E3L000756
BDB000756
|
Pik-75
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12
|
C16H14BrN5O4S 452.290000 |
QTHCAAFKVUWAFI-DJKKODMXSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM25036; PubChem:CID10275789
|
Local ready
Direct docking supported
|
|
E3L000757
BDB000757
|
BDBM25045
Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1
|
C19H16N4O3 348.362000 |
TUVCWJQQGGETHL-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630, Q9BVC4 | Serine/threonine-protein kinase LATS1, Aurora kinase A, Target of rapamycin complex subunit LST8, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM25045; PubChem:CID9884685
|
Local ready
Direct docking supported
|
|
E3L000758
BDB000758
|
TG-100115
Nc1nc(N)c2nc(-c3cccc(O)c3)c(-c3cccc(O)c3)nc2n1
|
C18H14N6O2 346.350000 |
UJIAQDJKSXQLIT-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM25084; PubChem:CID10427712
|
Local ready
Direct docking supported
|
|
E3L000759
BDB000759
|
Axitinib
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
|
C22H18N4OS 386.480000 |
RITAVMQDGBJQJZ-FMIVXFBMSA-N | O14965, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM25117; PubChem:CID6450551
|
Local ready
Direct docking supported
|
|
E3L000760
BDB000760
|
Dovitinib
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1
|
C21H21FN6O 392.438000 |
PIQCTGMSNWUMAF-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Serine/threonine-protein kinase LATS1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM25118; PubChem:CID135398510
|
Local ready
Direct docking supported
|