| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004861
BDB004861
|
BDBM116673
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)ncnc12
|
C23H17Cl2N5O2 466.328000 |
VSIZGIFPGSTFOV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116673; PubChem:CID66768118
|
Local ready
Direct docking supported
|
|
E3L004862
BDB004862
|
BDBM116674
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(N5CCOCC5)c4)c3)ncnc12
|
C26H25N7O3 483.532000 |
URYOYOMAOIZWMC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116674; PubChem:CID68078936
|
Local ready
Direct docking supported
|
|
E3L004863
BDB004863
|
BDBM116675
NC(=O)c1cccc2c(NCC3=CC(Cl)=CCC3)ncnc12
|
C16H15ClN4O 314.776000 |
JPUOKUGRWCCCOL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116675; PubChem:CID68081146
|
Local ready
Direct docking supported
|
|
E3L004864
BDB004864
|
BDBM116676
COCCC(Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccccc2F)=C1
|
C26H26FN5O3 475.524000 |
HBBXYFBAAFTMQH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116676; PubChem:CID68078677
|
Local ready
Direct docking supported
|
|
E3L004865
BDB004865
|
BDBM116677
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1
|
C20H22N6O3 394.435000 |
HJQFEFMWZHQRLU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116677; PubChem:CID66763113
|
Local ready
Direct docking supported
|
|
E3L004866
BDB004866
|
BDBM116680
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OCCCO)c4)c3)ncnc12
|
C26H25N5O4 471.517000 |
UWVYYAZEVUASFC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116680; PubChem:CID68081183
|
Local ready
Direct docking supported
|
|
E3L004867
BDB004867
|
BDBM116681
COCCN(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C26H27N7O3 485.548000 |
YRNDLUNPBSSFMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116681; PubChem:CID66763451
|
Local ready
Direct docking supported
|
|
E3L004868
BDB004868
|
BDBM116682
CN(C)Cc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C26H26N6O2 454.534000 |
LMRPRHDIQPVMID-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116682; PubChem:CID66762531
|
Local ready
Direct docking supported
|
|
E3L004869
BDB004869
|
BDBM116683
CN(C)CCOc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C27H28N6O3 484.560000 |
JPZBIWGVUFISNP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116683; PubChem:CID66763177
|
Local ready
Direct docking supported
|
|
E3L004870
BDB004870
|
BDBM116684
CC(C)NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C20H23N5O 349.438000 |
GUYDIGHWJRIKBZ-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116684; PubChem:CID66764047
|
Local ready
Direct docking supported
|
|
E3L004871
BDB004871
|
BDBM116686
COc1ncc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C23H21N7O3 443.467000 |
ABXUNSYTKULRPM-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116686; PubChem:CID66763132
|
Local ready
Direct docking supported
|
|
E3L004872
BDB004872
|
BDBM116687
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5c(c4)CCO5)c3)ncnc12
|
C25H21N5O3 439.475000 |
FWHSZSDGPFVMOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116687; PubChem:CID66763392
|
Local ready
Direct docking supported
|
|
E3L004873
BDB004873
|
BDBM116688
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2c(F)cccc2F)=C1
|
C27H28F2N6O2 506.557000 |
AXENBBKNBUDYQA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116688; PubChem:CID68078953
|
Local ready
Direct docking supported
|
|
E3L004874
BDB004874
|
BDBM116689
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
|
C30H30F2N6O2 544.606000 |
MLRUASYAPWIQDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116689; PubChem:CID66763788
|
Local ready
Direct docking supported
|
|
E3L004875
BDB004875
|
BDBM116690
CC(C)c1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1
|
C24H25N7O2 443.511000 |
TUVCZMWCKOCSGF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116690; PubChem:CID66762546
|
Local ready
Direct docking supported
|
|
E3L004876
BDB004876
|
BDBM116691
CCn1nc(C(F)(F)F)cc1C(=O)Nc1cccc(C(C)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C24H22F3N7O2 497.481000 |
KXICNNJQUUCJQT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116691; PubChem:CID66763754
|
Local ready
Direct docking supported
|
|
E3L004877
BDB004877
|
BDBM116692
CNCC(Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1ccccc1
|
C25H25N5O2 427.508000 |
FRCWIKMEVRFKBJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116692; PubChem:CID66762907
|
Local ready
Direct docking supported
|
|
E3L004878
BDB004878
|
BDBM116693
NC(=O)c1cccc2c(N[C@H](CNC3CC3)c3ccccc3)ncnc12
|
C20H21N5O 347.422000 |
JYQATWIICNAVGU-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116693; PubChem:CID66763776
|
Local ready
Direct docking supported
|
|
E3L004879
BDB004879
|
BDBM116694
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OCCO)c4)c3)ncnc12
|
C25H23N5O4 457.490000 |
ZXAGZULZCKUUKQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116694; PubChem:CID68078703
|
Local ready
Direct docking supported
|
|
E3L004880
BDB004880
|
BDBM116695
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
|
C30H30F2N6O2 544.606000 |
PDRMIURRJQICEV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116695; PubChem:CID66763504
|
Local ready
Direct docking supported
|