| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004621
BDB004621
|
BDBM116407
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)n4)c3)ncnc12
|
C22H17ClN6O2 432.871000 |
JKJUIAJEDWYGAG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116407; PubChem:CID87139104
|
Local ready
Direct docking supported
|
|
E3L004622
BDB004622
|
BDBM116408
COc1cc(C(N)=O)c2ncnc(N[C@H](C)c3ccccc3)c2c1
|
C18H18N4O2 322.368000 |
QSIHIKQTAYUVBM-LLVKDONJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116408; PubChem:CID66761851
|
Local ready
Direct docking supported
|
|
E3L004623
BDB004623
|
BDBM116409
COc1ccc(OC)c(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C18H18N4O3 338.367000 |
YGBGPKSNWCTBOS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116409; PubChem:CID66762432
|
Local ready
Direct docking supported
|
|
E3L004624
BDB004624
|
BDBM116410
CN(C)CCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C20H23N5O2 365.437000 |
KGFMHDKKCFAVMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116410; PubChem:CID66763527
|
Local ready
Direct docking supported
|
|
E3L004625
BDB004625
|
BDBM116411
NC(=O)c1cccc2c(NCc3cccc(OCCN(CCO)CCO)c3)ncnc12
|
C22H27N5O4 425.489000 |
HZHFVDKWMSMXTO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116411; PubChem:CID66762423
|
Local ready
Direct docking supported
|
|
E3L004626
BDB004626
|
BDBM116412
CCOC(=O)N1CCN(CCOc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)CC1
|
C25H30N6O4 478.553000 |
XZXHVXOMNBJIAE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116412; PubChem:CID66761898
|
Local ready
Direct docking supported
|
|
E3L004627
BDB004627
|
BDBM116413
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(Cl)c4)c3)ncnc12
|
C22H17ClN6O2 432.871000 |
KVXXTWMZAGQKMI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116413; PubChem:CID86662385
|
Local ready
Direct docking supported
|
|
E3L004628
BDB004628
|
BDBM116414
COc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(Cl)c3)c2c1
|
C17H14Cl2N4O2 377.231000 |
RBIOEFDNYQWSEM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116414; PubChem:CID66763521
|
Local ready
Direct docking supported
|
|
E3L004629
BDB004629
|
BDBM116415
COc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1
|
C18H19N5O2 337.383000 |
PRHCRPUDJXUXCO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116415; PubChem:CID46869310
|
Local ready
Direct docking supported
|
|
E3L004630
BDB004630
|
BDBM116416
NC(=O)c1cc(OCc2ccccc2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C24H19F3N4O2 452.436000 |
ZVRDIELKVSLWLQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116416; PubChem:CID66763374
|
Local ready
Direct docking supported
|
|
E3L004631
BDB004631
|
BDBM116417
CN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C24H23N7O2 441.495000 |
RKSDWJBFBPKMFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116417; PubChem:CID66762894
|
Local ready
Direct docking supported
|
|
E3L004632
BDB004632
|
BDBM116418
CN(C)c1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)n1
|
C24H23N7O2 441.495000 |
NESRKEKGRKLXJB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116418; PubChem:CID66763416
|
Local ready
Direct docking supported
|
|
E3L004633
BDB004633
|
BDBM116419
CN(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C24H23N7O2 441.495000 |
AWJSEDIXXHFUSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116419; PubChem:CID66761866
|
Local ready
Direct docking supported
|
|
E3L004634
BDB004634
|
BDBM116420
NC(=O)c1cc(O)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C17H13F3N4O2 362.311000 |
ORMLOSONIQIDBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116420; PubChem:CID66763832
|
Local ready
Direct docking supported
|
|
E3L004635
BDB004635
|
BDBM116421
NC(=O)c1cccc2c(NCC(N)c3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C18H15ClF3N5O 409.799000 |
XFBWNPAWMQWXRS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116421; PubChem:CID66763498
|
Local ready
Direct docking supported
|
|
E3L004636
BDB004636
|
BDBM116422
NC(=O)c1cc(OCCN2CCOCC2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C23H24F3N5O3 475.471000 |
OMMPPDGBYMQCGF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116422; PubChem:CID66762206
|
Local ready
Direct docking supported
|
|
E3L004637
BDB004637
|
BDBM116423
CN(C)CCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
|
C21H22F3N5O2 433.434000 |
FHMVSLXNLGUZHH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116423; PubChem:CID66763143
|
Local ready
Direct docking supported
|
|
E3L004638
BDB004638
|
BDBM116425
COCCN(C)CCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
|
C24H28F3N5O3 491.514000 |
ZQCJERNZTUANGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116425; PubChem:CID66763243
|
Local ready
Direct docking supported
|
|
E3L004639
BDB004639
|
BDBM116426
NC(=O)c1cc(OCCCN2CCN(CCO)CC2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C26H31F3N6O3 532.567000 |
BJLXYCDZTRNOAH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116426; PubChem:CID66763938
|
Local ready
Direct docking supported
|
|
E3L004640
BDB004640
|
BDBM116427
NC(=O)c1cc(OCCCN2CCOCC2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C24H26F3N5O3 489.498000 |
YOCXUHNNJHRSMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116427; PubChem:CID66763869
|
Local ready
Direct docking supported
|