| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054561
BDB054561
|
BDBM50382006
Cc1cn2c(-c3cnn(Cc4nc(-c5ccccc5)c[nH]4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C29H30N10S 550.696000 |
RQUYVPRGCIDFDN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382006; PubChem:CID70683503
|
Local ready
Direct docking supported
|
|
E3L054562
BDB054562
|
BDBM50382007
Cc1cn2c(-c3cnn(CC(=O)NCc4ccccc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C28H30FN9OS 559.675000 |
ULAVUYGQHLPDHT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382007; PubChem:CID44178070
|
Local ready
Direct docking supported
|
|
E3L054563
BDB054563
|
BDBM50382008
Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C28H30FN9OS 559.675000 |
HNEQLTHWJIJIPZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382008; PubChem:CID59503756
|
Local ready
Direct docking supported
|
|
E3L054564
BDB054564
|
BDBM50382009
Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(F)c4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C28H29F2N9OS 577.665000 |
TTXUUHWJDGZPDA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382009; PubChem:CID59503836
|
Local ready
Direct docking supported
|
|
E3L054565
BDB054565
|
BDBM50382010
Cc1cn2c(-c3cnn(CC(=O)NCc4cc(F)cc(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C28H29F2N9OS 577.665000 |
BFSIRYBEOWYNCV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382010; PubChem:CID59503540
|
Local ready
Direct docking supported
|
|
E3L054566
BDB054566
|
BDBM50382011
Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(C(F)(F)F)c4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C30H32F3N9OS 623.709000 |
ZFTVPSJPUDCIHD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50382011
|
Local ready
Direct docking supported
|
|
E3L054567
BDB054567
|
BDBM50382012
COc1cccc(CNC(=O)Cn2cc(-c3cnc4c(Nc5cc(CN6CCCC(C)C6)ns5)nc(C)cn34)cn2)c1
|
C30H35N9O2S 585.738000 |
GANVFRXETVPEAB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382012; PubChem:CID44177840
|
Local ready
Direct docking supported
|
|
E3L054568
BDB054568
|
BDBM50382013
Cc1cn2c(-c3cnn(CC(=O)Nc4ccccc4F)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C27H28FN9OS 545.648000 |
MFRXDBPALKWKBL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382013; PubChem:CID59503732
|
Local ready
Direct docking supported
|
|
E3L054569
BDB054569
|
BDBM50382014
Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C27H28FN9OS 545.648000 |
LIEHUWSBANPUKO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382014; PubChem:CID59503547
|
Local ready
Direct docking supported
|
|
E3L054570
BDB054570
|
BDBM50382015
Cc1cn2c(-c3cnn(CC(=O)Nc4ccc(F)cc4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C27H28FN9OS 545.648000 |
FETFATXUVPPWGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382015; PubChem:CID59503686
|
Local ready
Direct docking supported
|
|
E3L054571
BDB054571
|
BDBM50382016
Cc1cn2c(-c3cnn(CC(=O)Nc4cc(F)cc(F)c4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C27H27F2N9OS 563.638000 |
XYVHEZGROKPBMY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382016; PubChem:CID59503725
|
Local ready
Direct docking supported
|
|
E3L054572
BDB054572
|
BDBM50382017
Cc1cn2c(-c3cnn(CC(=O)Nc4nccs4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C25H28N10OS2 548.702000 |
YVTUFHUULMAJPN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382017; PubChem:CID59503633
|
Local ready
Direct docking supported
|
|
E3L054573
BDB054573
|
BDBM50382018
Cc1cn2c(-c3cnn(CC(=O)Nc4ccccn4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C27H30N10OS 542.673000 |
SLNKOWIAWCBJGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382018; PubChem:CID44178067
|
Local ready
Direct docking supported
|
|
E3L054574
BDB054574
|
BDBM50382019
Cc1cn2c(-c3cnn(CC(=O)NC4C=CN(O)C=C4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C27H32N10O2S 560.688000 |
ORCUWBLKOFIGIQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382019; PubChem:CID91929826
|
Local ready
Direct docking supported
|
|
E3L054575
BDB054575
|
BDBM50382020
Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)n4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C27H29FN10OS 560.663000 |
APEKZEQPEXYFDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382020; PubChem:CID59503510
|
Local ready
Direct docking supported
|
|
E3L054576
BDB054576
|
BDBM50382021
Cc1cn2c(-c3cnn(CC(=O)Nc4cccnc4F)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C27H29FN10OS 560.663000 |
MKPGJKRDMWXJIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382021; PubChem:CID59503468
|
Local ready
Direct docking supported
|
|
E3L054577
BDB054577
|
BDBM50382022
Cc1cn2c(-c3cnn(CC(=O)N(C)Cc4ccccc4)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C30H35N9OS 569.739000 |
WRJCEXIIPCBBHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382022; PubChem:CID59503657
|
Local ready
Direct docking supported
|
|
E3L054578
BDB054578
|
BDBM50382023
Cc1cn2c(-c3cnn(CC(=O)N4CCOCC4)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C25H31N9O2S 521.651000 |
OTARCJGWWAIHGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382023; PubChem:CID59503511
|
Local ready
Direct docking supported
|
|
E3L054579
BDB054579
|
BDBM50382024
Cc1cn2c(-c3cnn(CC(=O)NCCN(C)C)c3)cnc2c(Nc2cc(CN3CCCC(C)C3)ns2)n1
|
C26H36N10OS 536.710000 |
FDWWNNRPPYASDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382024; PubChem:CID59503724
|
Local ready
Direct docking supported
|
|
E3L054580
BDB054580
|
BDBM50382025
Cc1cn2c(-c3cnn(CC(=O)N(C)C)c3)cnc2c(Nc2cc(CN3CCCCC3)ns2)n1
|
C23H29N9OS 479.614000 |
HWDIFDRAZONKOD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50382025; PubChem:CID59503635
|
Local ready
Direct docking supported
|