| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004741
BDB004741
|
BDBM116529
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1
|
C26H26N6O3 470.533000 |
CNFJGGPOIJUVKL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116529; PubChem:CID46869579
|
Local ready
Direct docking supported
|
|
E3L004742
BDB004742
|
BDBM116530
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cncc(N3CCCC3)c2)c1
|
C29H32N8O2 524.629000 |
DCRRXSUQGXVDLQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116530; PubChem:CID46869580
|
Local ready
Direct docking supported
|
|
E3L004743
BDB004743
|
BDBM116531
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1
|
C19H20ClN5O 369.856000 |
ODIBHBBABRKJIO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116531; PubChem:CID46869637
|
Local ready
Direct docking supported
|
|
E3L004744
BDB004744
|
BDBM116532
COc1ccc(C(=O)Nc2cccc(C(CN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C27H28N6O3 484.560000 |
IUEUJHZZCUYXKU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116532; PubChem:CID46869639
|
Local ready
Direct docking supported
|
|
E3L004745
BDB004745
|
BDBM116533
CNCC(Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1
|
C19H21N5O2 351.410000 |
GXYOPEGHNADCQI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116533; PubChem:CID46869641
|
Local ready
Direct docking supported
|
|
E3L004746
BDB004746
|
BDBM116534
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(OC)cc1
|
C19H21N5O2 351.410000 |
ZJKRQNYRWHKMJV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116534; PubChem:CID46869642
|
Local ready
Direct docking supported
|
|
E3L004747
BDB004747
|
BDBM116535
CNCC(Nc1ccccc(C(N)=O)cncn1)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
|
C26H25F3N6O3 526.519000 |
BZNBRLIMNHJECW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116535; PubChem:CID68080782
|
Local ready
Direct docking supported
|
|
E3L004748
BDB004748
|
BDBM116536
COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccc(Cl)cc3)c2c1
|
C20H22ClN5O2 399.882000 |
CJAKBHSFDAWLEM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116536; PubChem:CID46869703
|
Local ready
Direct docking supported
|
|
E3L004749
BDB004749
|
BDBM116538
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2F)c1
|
C26H25FN6O3 488.523000 |
GYEINYAKLFRDRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116538; PubChem:CID46869706
|
Local ready
Direct docking supported
|
|
E3L004750
BDB004750
|
BDBM116539
CC1CCCN1c1cc(C(=O)Nc2cccc(C(CN(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C30H34N8O2 538.656000 |
IVOSBLQIUULOJZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116539; PubChem:CID46869707
|
Local ready
Direct docking supported
|
|
E3L004751
BDB004751
|
BDBM116541
CCN(CC)C1CCN(c2cc(C(=O)Nc3cccc(C(CN(C)C)Nc4ncnc5c(C(N)=O)cccc45)c3)ccn2)C1
|
C33H41N9O2 595.752000 |
JHGDIFKUZFGJGH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116541; PubChem:CID46869772
|
Local ready
Direct docking supported
|
|
E3L004752
BDB004752
|
BDBM116542
COc1ccc(C(=O)Nc2cccc(C(CN(C)C)Nc3ncnc4c3=CCCC=4C(N)=O)c2)cc1F
|
C27H29FN6O3 504.566000 |
INWAPLGMARPPCH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116542; PubChem:CID68078580
|
Local ready
Direct docking supported
|
|
E3L004753
BDB004753
|
BDBM116543
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2F)c1
|
C25H19F4N5O2 497.452000 |
RWBMPHFTXFAKIZ-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116543; PubChem:CID66763509
|
Local ready
Direct docking supported
|
|
E3L004754
BDB004754
|
BDBM116544
CCNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1
|
C20H23N5O2 365.437000 |
XAVPWAIYBBCDNE-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116544; PubChem:CID46869776
|
Local ready
Direct docking supported
|
|
E3L004755
BDB004755
|
BDBM116545
COc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3cccc(F)c3)c2c1
|
C20H22FN5O2 383.427000 |
BFLHCYRERXMTKZ-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116545; PubChem:CID46869842
|
Local ready
Direct docking supported
|
|
E3L004756
BDB004756
|
BDBM116546
CCNC[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(F)c1
|
C19H22FN5O 355.417000 |
SDKIMOPCSMIIJC-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116546; PubChem:CID68078593
|
Local ready
Direct docking supported
|
|
E3L004757
BDB004757
|
BDBM116547
C=CCN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C29H29BrN6O2 573.495000 |
JQTUGUXQKTXVPW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116547; PubChem:CID46869844
|
Local ready
Direct docking supported
|
|
E3L004758
BDB004758
|
BDBM116548
COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C24H22N6O3 442.479000 |
GTUAZZUFAUMXII-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116548; PubChem:CID46869845
|
Local ready
Direct docking supported
|
|
E3L004759
BDB004759
|
BDBM116549
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1
|
C25H21N5O4 455.474000 |
YNPQIFHMRSVLHW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116549; PubChem:CID46869846
|
Local ready
Direct docking supported
|
|
E3L004760
BDB004760
|
BDBM116550
CC(C)c1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1
|
C24H25N7O2 443.511000 |
TUVCZMWCKOCSGF-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116550; PubChem:CID46869847
|
Local ready
Direct docking supported
|