| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052981
BDB052981
|
BDBM50335322
COc1cccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)c1
|
C20H19N5O2 361.405000 |
JZXZMZSAVCZTFQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335322; PubChem:CID11617466
|
Local ready
Direct docking supported
|
|
E3L052982
BDB052982
|
BDBM50335323
Cc1cc(Nc2nn(C(C)C)c(=O)c3ccccc23)[nH]n1
|
C15H17N5O 283.335000 |
RWGFZZRNLKELRN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335323; PubChem:CID21106477
|
Local ready
Direct docking supported
|
|
E3L052983
BDB052983
|
BDBM50335324
Cc1cc(Nc2nn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c3ccccc23)[nH]n1
|
C20H19N5O3S 409.471000 |
LFCPSKGFPCUNRQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335324; PubChem:CID11611230
|
Local ready
Direct docking supported
|
|
E3L052984
BDB052984
|
BDBM50335325
Cc1cc(Nc2nn(CC(C)C)c(=O)c3ccccc23)[nH]n1
|
C16H19N5O 297.362000 |
SNLGNBKBVNOLQN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335325; PubChem:CID11709165
|
Local ready
Direct docking supported
|
|
E3L052985
BDB052985
|
BDBM50335326
CC(=O)Nc1ccc(Cn2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
|
C20H18N6O2 374.404000 |
MOWOODVZLKWUAO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335326; PubChem:CID11689306
|
Local ready
Direct docking supported
|
|
E3L052986
BDB052986
|
BDBM50335327
COc1ccc(Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
|
C20H19N5O2 361.405000 |
QHRVQKRZPPKELL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335327; PubChem:CID11639104
|
Local ready
Direct docking supported
|
|
E3L052987
BDB052987
|
BDBM50335328
COc1cccc(C(=O)Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)c1
|
C21H19N5O3 389.415000 |
BAQTWRIYOIQOLT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335328; PubChem:CID21106464
|
Local ready
Direct docking supported
|
|
E3L052988
BDB052988
|
BDBM50335329
Cc1cc(Nc2nn(Cc3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
|
C19H16FN5O 349.369000 |
AQQWXMKDEBTQIT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335329; PubChem:CID11508531
|
Local ready
Direct docking supported
|
|
E3L052989
BDB052989
|
BDBM50335330
Cc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)[nH]n1
|
C18H15N5O 317.352000 |
DSDIWWSXOOXFSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335330; PubChem:CID11652621
|
Local ready
Direct docking supported
|
|
E3L052990
BDB052990
|
BDBM50335331
COc1ccc(-n2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
|
C19H17N5O2 347.378000 |
FONGCKPDTLVYQA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335331; PubChem:CID11537541
|
Local ready
Direct docking supported
|
|
E3L052991
BDB052991
|
4-(1h-Pyrazol-3-ylamino)-2-p-tolyl-2h-phthalazin-1-one
Cc1ccc(-n2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
|
C19H17N5O 331.379000 |
RADYPHHNLDAXRN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335332; PubChem:CID11681497
|
Local ready
Direct docking supported
|
|
E3L052992
BDB052992
|
BDBM50335333
Cc1cccc(-n2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)c1
|
C19H17N5O 331.379000 |
SYVLQSPSGXPACG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335333; PubChem:CID11645638
|
Local ready
Direct docking supported
|
|
E3L052993
BDB052993
|
BDBM50335334
Cc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)[nH]n1
|
C18H14FN5O 335.342000 |
BMWVNQUIZMDGSJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335334; PubChem:CID11624169
|
Local ready
Direct docking supported
|
|
E3L052994
BDB052994
|
BDBM50335335
Cc1cc(Nc2nn(Cc3ccccc3)c(=O)c3ccccc23)[nH]n1
|
C19H17N5O 331.379000 |
PPOHPGMKFGMFKE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335335; PubChem:CID11587983
|
Local ready
Direct docking supported
|
|
E3L052995
BDB052995
|
BDBM50335336
Cc1cc(Nc2nn(Cc3cc(F)cc(F)c3)c(=O)c3ccccc23)[nH]n1
|
C19H15F2N5O 367.359000 |
FULBCSTUNJDMJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335336; PubChem:CID11603072
|
Local ready
Direct docking supported
|
|
E3L052996
BDB052996
|
BDBM50335337
COc1ccc(C(=O)Cn2nc(Nc3cc(C)n[nH]3)c3ccccc3c2=O)cc1
|
C21H19N5O3 389.415000 |
NCMYFWCPWPQBIF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335337; PubChem:CID11501979
|
Local ready
Direct docking supported
|
|
E3L052997
BDB052997
|
BDBM50335338
Cc1cc(Nc2nn(CC(=O)c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)[nH]n1
|
C21H16F3N5O2 427.386000 |
GYEHAWHVTQCLGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335338; PubChem:CID21106491
|
Local ready
Direct docking supported
|
|
E3L052998
BDB052998
|
BDBM50335339
Cc1cc(Nc2nn(-c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)[nH]n1
|
C22H23N5O 373.460000 |
AIHXCSFEMCZERD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335339; PubChem:CID11710518
|
Local ready
Direct docking supported
|
|
E3L052999
BDB052999
|
BDBM50335340
Cc1cc(Nc2nn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)[nH]n1
|
C19H16N6O3 376.376000 |
HIQIMBYLAJXNOK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335340; PubChem:CID11717761
|
Local ready
Direct docking supported
|
|
E3L053000
BDB053000
|
4-(1H-pyrazol-3-ylamino)-2-p-tolylphthalazin-1(2H)-one
Cc1ccc(-n2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
|
C18H15N5O 317.352000 |
CYIVQMRMONWPKP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50335341; PubChem:CID11500669
|
Local ready
Direct docking supported
|