| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004721
BDB004721
|
BDBM116508
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
|
C25H22F2N6O2 476.487000 |
FIZSPRJMYGKSMB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116508; PubChem:CID46869379
|
Local ready
Direct docking supported
|
|
E3L004722
BDB004722
|
BDBM116509
CNCC(Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1
|
C19H20FN5O2 369.400000 |
XQZHZCUJORPEOS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116509; PubChem:CID46869381
|
Local ready
Direct docking supported
|
|
E3L004723
BDB004723
|
BDBM116511
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C27H25F3N6O2 522.531000 |
RXAZPQCDGXHCAO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116511; PubChem:CID46869383
|
Local ready
Direct docking supported
|
|
E3L004724
BDB004724
|
BDBM116512
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2F)c1
|
C26H25FN6O2 472.524000 |
HAWOAWLBNXPWTR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116512; PubChem:CID46869384
|
Local ready
Direct docking supported
|
|
E3L004725
BDB004725
|
BDBM116513
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C25H23BrN6O2 519.403000 |
RHWHWWRJINHZQN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116513; PubChem:CID46869448
|
Local ready
Direct docking supported
|
|
E3L004726
BDB004726
|
BDBM116514
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C26H25BrN6O2 533.430000 |
YRQSEFHVBKRZFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116514; PubChem:CID46869449
|
Local ready
Direct docking supported
|
|
E3L004727
BDB004727
|
BDBM116515
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1
|
C18H18ClN5O 355.829000 |
LAJUPICIRDRINN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116515; PubChem:CID46869450
|
Local ready
Direct docking supported
|
|
E3L004728
BDB004728
|
BDBM116516
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N3CCCC3)c2)c1
|
C29H32N8O2 524.629000 |
VWYGEDAFWDXUMQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116516; PubChem:CID46869451
|
Local ready
Direct docking supported
|
|
E3L004729
BDB004729
|
BDBM116517
CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1
|
C19H20FN5O2 369.400000 |
XQZHZCUJORPEOS-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116517; PubChem:CID46869452
|
Local ready
Direct docking supported
|
|
E3L004730
BDB004730
|
BDBM116518
CNCC(Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(Cl)c1
|
C19H20ClN5O2 385.855000 |
KTEVQEUEMLYYMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116518; PubChem:CID46869453
|
Local ready
Direct docking supported
|
|
E3L004731
BDB004731
|
BDBM116519
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1
|
C19H19Cl2N5O 404.301000 |
AGDQZNITYJKXQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116519; PubChem:CID46869516
|
Local ready
Direct docking supported
|
|
E3L004732
BDB004732
|
BDBM116520
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N3CCCCC3)c2)c1
|
C30H34N8O2 538.656000 |
POQNJRCZSQACTE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116520; PubChem:CID46869517
|
Local ready
Direct docking supported
|
|
E3L004733
BDB004733
|
BDBM116521
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(Cl)c2)c1
|
C25H24ClN7O2 489.967000 |
NERGHRXOVVUXNP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116521; PubChem:CID46869518
|
Local ready
Direct docking supported
|
|
E3L004734
BDB004734
|
BDBM116522
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
|
C25H24N6O2 440.507000 |
HZCSYARAUKXOFF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116522; PubChem:CID46869519
|
Local ready
Direct docking supported
|
|
E3L004735
BDB004735
|
BDBM116523
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1
|
C25H22F2N6O2 476.487000 |
JKUFJTIKVQADGJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116523; PubChem:CID46869520
|
Local ready
Direct docking supported
|
|
E3L004736
BDB004736
|
BDBM116524
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Br)c1
|
C19H20BrN5O 414.307000 |
QZMSENZZQWAYFQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116524; PubChem:CID46869521
|
Local ready
Direct docking supported
|
|
E3L004737
BDB004737
|
BDBM116525
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(F)c1
|
C18H18FN5O 339.374000 |
RBMOLIOJAWRTIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116525; PubChem:CID66762174
|
Local ready
Direct docking supported
|
|
E3L004738
BDB004738
|
BDBM116526
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1
|
C26H25FN6O3 488.523000 |
UUQUQPUHXKTHDD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116526; PubChem:CID46869576
|
Local ready
Direct docking supported
|
|
E3L004739
BDB004739
|
BDBM116527
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c1
|
C27H24F4N6O2 540.521000 |
DHEDUDJQNPBXHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116527; PubChem:CID66763122
|
Local ready
Direct docking supported
|
|
E3L004740
BDB004740
|
BDBM116528
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccnc(N(C)C)c2)c1
|
C27H30N8O2 498.591000 |
YFTUDCDZHZYZAB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116528; PubChem:CID46869578
|
Local ready
Direct docking supported
|