| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056041
BDB056041
|
BDBM50435021
O=[N+]([O-])c1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)c1
|
C23H17N3O5S 447.472000 |
CBQODTLCGVMLQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435021; PubChem:CID71212337
|
Local ready
Direct docking supported
|
|
E3L056042
BDB056042
|
BDBM50435022
N#Cc1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)c1
|
C24H17N3O3S 427.485000 |
QMPGEDNNYDQBID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435022; PubChem:CID71212291
|
Local ready
Direct docking supported
|
|
E3L056043
BDB056043
|
BDBM50435023
O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1
|
C23H17N3O5S 447.472000 |
SOTUJQRAYBWHFK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435023; PubChem:CID71578307
|
Local ready
Direct docking supported
|
|
E3L056044
BDB056044
|
BDBM50435024
CC(=O)Nc1cc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)ccn1
|
C23H17N5O2S 427.489000 |
WJCNROIVPXENEU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435024; PubChem:CID71578745
|
Local ready
Direct docking supported
|
|
E3L056045
BDB056045
|
BDBM50435025
CC(=O)Nc1cc(-c2nnc(SCc3cccc(C#N)c3)o2)ccn1
|
C17H13N5O2S 351.391000 |
XOXJFSRAOYMCPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435025; PubChem:CID71578744
|
Local ready
Direct docking supported
|
|
E3L056046
BDB056046
|
BDBM50435026
CC(=O)Nc1cc(-c2nnc(SCc3ccccc3)o2)ccn1
|
C16H14N4O2S 326.381000 |
PFSOTOJNKFKFFB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435026; PubChem:CID71578658
|
Local ready
Direct docking supported
|
|
E3L056047
BDB056047
|
BDBM50435027
c1ccc(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)cc1
|
C20H15N3OS 345.427000 |
FQJGLFZIJDNUCH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435027; PubChem:CID24370907
|
Local ready
Direct docking supported
|
|
E3L056048
BDB056048
|
BDBM50435028
N#Cc1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccncc3)o2)cc1
|
C21H13FN4OS 388.427000 |
UIKTZFBTSQXZAS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435028; PubChem:CID71578520
|
Local ready
Direct docking supported
|
|
E3L056049
BDB056049
|
BDBM50435029
COc1ccc(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)cc1
|
C21H17N3O2S 375.453000 |
OTKVWQZLCANFNT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435029; PubChem:CID71212403
|
Local ready
Direct docking supported
|
|
E3L056050
BDB056050
|
BDBM50435030
N#Cc1ccc(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)cc1
|
C21H14N4OS 370.437000 |
UNXKPCQXZUAGGJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435030; PubChem:CID71212434
|
Local ready
Direct docking supported
|
|
E3L056051
BDB056051
|
BDBM50435031
N#Cc1cccc(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)c1
|
C21H14N4OS 370.437000 |
FWRXPBSHAIFMGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435031; PubChem:CID71212514
|
Local ready
Direct docking supported
|
|
E3L056052
BDB056052
|
BDBM50435032
O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccncc3)o2)cc1
|
C20H14N4O3S 390.424000 |
PSLRGVBAUBPLDY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435032; PubChem:CID71578447
|
Local ready
Direct docking supported
|
|
E3L056053
BDB056053
|
BDBM50435033
O=[N+]([O-])c1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1
|
C22H15N3O5S 433.445000 |
ILMCPEAFWSFNIE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435033; PubChem:CID71578375
|
Local ready
Direct docking supported
|
|
E3L056054
BDB056054
|
BDBM50435034
N#Cc1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1
|
C23H15N3O3S 413.458000 |
BAMRUHLBPZRRIX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435034; PubChem:CID71578374
|
Local ready
Direct docking supported
|
|
E3L056055
BDB056055
|
BDBM50435035
O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1
|
C22H15N3O5S 433.445000 |
RQQZTHUGRVIEQX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435035; PubChem:CID71578373
|
Local ready
Direct docking supported
|
|
E3L056056
BDB056056
|
BDBM50435036
c1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cc1
|
C23H18N2O3S 402.475000 |
PMMSNAUVALVAPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435036; PubChem:CID71212419
|
Local ready
Direct docking supported
|
|
E3L056057
BDB056057
|
BDBM50435037
N#Cc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCCO5)o3)cc2)cc1
|
C24H17N3O3S 427.485000 |
DCGUJHVTKLSRJF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435037; PubChem:CID71212233
|
Local ready
Direct docking supported
|
|
E3L056058
BDB056058
|
BDBM50435038
Fc1cc(F)cc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1
|
C22H14F2N2O3S 424.428000 |
FRXDRZHYTZXJJS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435038; PubChem:CID71578446
|
Local ready
Direct docking supported
|
|
E3L056059
BDB056059
|
BDBM50435039
COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c(C#N)c1
|
C24H17N3O4S 443.484000 |
PPIPFZAGLGRLCJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435039; PubChem:CID71212317
|
Local ready
Direct docking supported
|
|
E3L056060
BDB056060
|
BDBM50435040
COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1
|
C23H18N2O4S 418.474000 |
GUASZRAHLZIIEE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50435040; PubChem:CID71578445
|
Local ready
Direct docking supported
|