| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053461
BDB053461
|
BDBM50348623
CC(C)c1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1
|
C16H17N7S 339.428000 |
WKBCIZTZDKGBEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348623; PubChem:CID11566279
|
Local ready
Direct docking supported
|
|
E3L053462
BDB053462
|
BDBM50348624
Cn1cc(-c2cnc3c(Nc4cc(C5CCNCC5)ns4)nccn23)cn1
|
C18H20N8S 380.481000 |
XLJHIFICPVNHJG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348624; PubChem:CID11632327
|
Local ready
Direct docking supported
|
|
E3L053463
BDB053463
|
BDBM50348625
Cn1cc(-c2cnc3c(Nc4cc(C5CCN(S(C)(=O)=O)CC5)ns4)nccn23)cn1
|
C19H22N8O2S2 458.573000 |
IJXKSFMGCXZEEN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348625; PubChem:CID56679965
|
Local ready
Direct docking supported
|
|
E3L053464
BDB053464
|
BDBM50348626
Cc1nsc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1
|
C13H12N8S 312.362000 |
LBBOLRRMFZXOJD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348626; PubChem:CID16666303
|
Local ready
Direct docking supported
|
|
E3L053465
BDB053465
|
BDBM50348627
Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)n1
|
C14H13N7S 311.374000 |
ZWPVXFBTTOJUSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348627; PubChem:CID56673303
|
Local ready
Direct docking supported
|
|
E3L053466
BDB053466
|
BDBM50348628
Cc1csc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1
|
C15H14N6S 310.386000 |
TXEUFNKGSNNRLH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348628; PubChem:CID11558640
|
Local ready
Direct docking supported
|
|
E3L053467
BDB053467
|
BDBM50348629
CN(C)c1cccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)c1
|
C18H19N7 333.399000 |
VZGMQXHFGYGCHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348629; PubChem:CID46240951
|
Local ready
Direct docking supported
|
|
E3L053468
BDB053468
|
BDBM50348630
CN(C)S(=O)(=O)c1ccc(Nc2nccn3c(-c4cnn(C)c4)cnc23)cc1
|
C18H19N7O2S 397.464000 |
LNJWPNHPUQNKQN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348630; PubChem:CID56669813
|
Local ready
Direct docking supported
|
|
E3L053469
BDB053469
|
BDBM50348631
CS(=O)(=O)N1CCC(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1
|
C18H20N8O2S2 444.546000 |
DEYRVWAAPWPOND-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348631; PubChem:CID56666399
|
Local ready
Direct docking supported
|
|
E3L053470
BDB053470
|
BDBM50348632
O=S(=O)(c1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1)N1CCOCC1
|
C19H19N7O3S 425.474000 |
ZFOPWBXSJXQVFA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348632; PubChem:CID56669814
|
Local ready
Direct docking supported
|
|
E3L053471
BDB053471
|
BDBM50348633
Cc1cc(Nc2nc(CN3CCOCC3)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C18H20N8OS 396.480000 |
KRUCYZFEUFVOHN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348633; PubChem:CID56666400
|
Local ready
Direct docking supported
|
|
E3L053472
BDB053472
|
BDBM50348634
Cc1cc(Nc2nc(C(F)(F)F)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C14H10F3N7S 365.344000 |
IVIGCDKRIYEDPR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348634; PubChem:CID56669815
|
Local ready
Direct docking supported
|
|
E3L053473
BDB053473
|
BDBM50348635
Cc1cc(Nc2nc(CCN)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C15H16N8S 340.416000 |
XQFHODAQACCOEF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348635; PubChem:CID56666401
|
Local ready
Direct docking supported
|
|
E3L053474
BDB053474
|
BDBM50348636
Cc1cc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C16H15N7S 337.412000 |
QHNJBHCDCYTMNB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348636; PubChem:CID56683295
|
Local ready
Direct docking supported
|
|
E3L053475
BDB053475
|
BDBM50348637
Cc1cc(Nc2nc(C#N)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C14H10N8S 322.357000 |
UCKMYULEGLLJLE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348637; PubChem:CID56662926
|
Local ready
Direct docking supported
|
|
E3L053476
BDB053476
|
BDBM50348638
Cc1cc(Nc2nc(-c3cccnc3)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C18H14N8S 374.433000 |
OAJNZHZQLRZZSC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348638; PubChem:CID56662867
|
Local ready
Direct docking supported
|
|
E3L053477
BDB053477
|
BDBM50348639
Cc1cc(Nc2nc([S+](C)[O-])cn3c(-c4cn[nH]c4)cnc23)sn1
|
C14H13N7OS2 359.440000 |
XLKQULZCNWBLGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348639; PubChem:CID56673306
|
Local ready
Direct docking supported
|
|
E3L053478
BDB053478
|
BDBM50348640
Cc1cc(Nc2nc(S(C)(=O)=O)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C14H13N7O2S2 375.439000 |
KKEKWBHUJBTFPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348640; PubChem:CID56676636
|
Local ready
Direct docking supported
|
|
E3L053479
BDB053479
|
BDBM50348641
CCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1
|
C15H15N7S2 357.468000 |
VMQIKSUBUKPMBA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348641; PubChem:CID25094243
|
Local ready
Direct docking supported
|
|
E3L053480
BDB053480
|
BDBM50348642
Cc1cc(Nc2nc(SCCN(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1
|
C17H20N8S2 400.537000 |
CEAQTTJXUPADGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50348642; PubChem:CID56666402
|
Local ready
Direct docking supported
|