| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054461
BDB054461
|
BDBM50379489
Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@H]54)c3n2)cc1C(N)=O
|
C19H23N7O 365.441000 |
XEXXLSSPQTWUID-KCPJHIHWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379489; PubChem:CID70693678
|
Local ready
Direct docking supported
|
|
E3L054462
BDB054462
|
BDBM50379490
Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O
|
C18H23N7O 353.430000 |
WFRNKIOQSRRDQF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379490; PubChem:CID70695790
|
Local ready
Direct docking supported
|
|
E3L054463
BDB054463
|
BDBM50379491
Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O
|
C19H25N7O 367.457000 |
NKRSLISCOPHPJT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379491; PubChem:CID70683192
|
Local ready
Direct docking supported
|
|
E3L054464
BDB054464
|
BDBM50379492
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(N)=O
|
C17H19N7O 337.387000 |
MSGWNYXBVMCUNQ-DDFAGTSDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379492
|
Local ready
Direct docking supported
|
|
E3L054465
BDB054465
|
BDBM50379493
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cn1C
|
C24H30N8O2 462.558000 |
ZZFGCFQOWNBGHP-QXGSTGNESA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379493
|
Local ready
Direct docking supported
|
|
E3L054466
BDB054466
|
BDBM50379494
C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cn1C
|
C22H27N7O 405.506000 |
KLZCFIRMAFXIKI-ZXFNITATSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379494
|
Local ready
Direct docking supported
|
|
E3L054467
BDB054467
|
BDBM50379495
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(=O)N1CCCC1
|
C21H25N7O 391.479000 |
YQEBSIBQRPFUBN-XOIINTDNSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379495
|
Local ready
Direct docking supported
|
|
E3L054468
BDB054468
|
BDBM50379496
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O
|
C22H26N8O2 434.504000 |
KZDYTAXBOFTVGN-RMHZUWNSSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379496
|
Local ready
Direct docking supported
|
|
E3L054469
BDB054469
|
BDBM50379497
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO
|
C22H27N7O2 421.505000 |
SYCRYYILCMOTOI-DACLVMHWSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379497
|
Local ready
Direct docking supported
|
|
E3L054470
BDB054470
|
BDBM50379498
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1
|
C26H34N8O 474.613000 |
QRDRCIWCMVIMHC-UDKICSLYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379498
|
Local ready
Direct docking supported
|
|
E3L054471
BDB054471
|
BDBM50379499
COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cn1C
|
C23H29N7O2 435.532000 |
CPGPEVNIOCXOPN-QXGSTGNESA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379499
|
Local ready
Direct docking supported
|
|
E3L054472
BDB054472
|
BDBM50379500
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1
|
C26H34N8O2 490.612000 |
MBKBRIBQHFBRHO-UDKICSLYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379500
|
Local ready
Direct docking supported
|
|
E3L054473
BDB054473
|
BDBM50379501
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CO
|
C22H27N7O2 421.505000 |
SYCRYYILCMOTOI-LTCOOKNTSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379501
|
Local ready
Direct docking supported
|
|
E3L054474
BDB054474
|
BDBM50379502
COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cn1C
|
C23H29N7O2 435.532000 |
CPGPEVNIOCXOPN-WTLGNFPFSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379502
|
Local ready
Direct docking supported
|
|
E3L054475
BDB054475
|
BDBM50379503
Cn1cc(Nc2ncc3cnn([C@@H]4C[C@H]5C[C@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1
|
C26H34N8O2 490.612000 |
MBKBRIBQHFBRHO-GMQQQROESA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50379503
|
Local ready
Direct docking supported
|
|
E3L054476
BDB054476
|
BDBM50379504
CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc21
|
C14H17N7O 299.338000 |
GIYOYGQGQYMCFG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379504; PubChem:CID70691585
|
Local ready
Direct docking supported
|
|
E3L054477
BDB054477
|
BDBM50379505
Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)C4)c3n2)cc1C(N)=O
|
C18H21N7O 351.414000 |
IOUPQNBCPLQNGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379505; PubChem:CID70693675
|
Local ready
Direct docking supported
|
|
E3L054478
BDB054478
|
BDBM50379506
Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O
|
C21H25N7O 391.479000 |
CCMSKNPVKGYHGE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379506; PubChem:CID70695789
|
Local ready
Direct docking supported
|
|
E3L054479
BDB054479
|
BDBM50379507
Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@H]54)c3n2)cc1C(N)=O
|
C19H23N7O 365.441000 |
XEXXLSSPQTWUID-DFBGVHRSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379507; PubChem:CID70687420
|
Local ready
Direct docking supported
|
|
E3L054480
BDB054480
|
BDBM50379508
Cn1cc(Nc2ncc3cnn(C4CCC5(CC4)CC5)c3n2)cc1C(N)=O
|
C19H23N7O 365.441000 |
DINLHKGZVRGQQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50379508; PubChem:CID70691595
|
Local ready
Direct docking supported
|