| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052321
BDB052321
|
BDBM50316477
CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4cccc(CN5CCOCC5)c4)cc23)cc1
|
C32H35N7O2 549.679000 |
RBJQAHIBEYFAAG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316477; PubChem:CID46888772
|
Local ready
Direct docking supported
|
|
E3L052322
BDB052322
|
BDBM50316478
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN5CCOCC5)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
|
C32H35N7O2 549.679000 |
CMWCUAWBNRSCEK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316478; PubChem:CID24815965
|
Local ready
Direct docking supported
|
|
E3L052323
BDB052323
|
BDBM50316479
CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)cc1
|
C32H35N7O2 549.679000 |
DWMNINPORGJSKR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316479; PubChem:CID46888773
|
Local ready
Direct docking supported
|
|
E3L052324
BDB052324
|
BDBM50316480
CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
|
C32H35N7O2 549.679000 |
FKLCPPPITVKULK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316480; PubChem:CID46888774
|
Local ready
Direct docking supported
|
|
E3L052325
BDB052325
|
BDBM50316481
CCn1cc(-c2ccnc3[nH]c(C(=O)NCCN4CCOCC4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C32H34N8O3 578.677000 |
YIHZVWLMRQCELC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316481; PubChem:CID46236622
|
Local ready
Direct docking supported
|
|
E3L052326
BDB052326
|
BDBM50316482
CCn1cc(-c2ccnc3[nH]c(C(=O)NCCCN4CCN(C)CC4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C34H39N9O2 605.747000 |
OPSVHJZYWJYWSU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316482; PubChem:CID46236768
|
Local ready
Direct docking supported
|
|
E3L052327
BDB052327
|
BDBM50316483
CCn1cc(-c2ccnc3[nH]c(C(=O)NCCN4CCN(C)CC4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C33H37N9O2 591.720000 |
PCWVNRZWJPOOHP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316483; PubChem:CID46236769
|
Local ready
Direct docking supported
|
|
E3L052328
BDB052328
|
BDBM50316484
CCn1cc(-c2ccnc3[nH]c(CN(C)C)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C28H29N7O 479.588000 |
BTQCPHBDUJMLMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316484; PubChem:CID46237019
|
Local ready
Direct docking supported
|
|
E3L052329
BDB052329
|
BDBM50316485
CCn1cc(-c2ccnc3[nH]c(CNCCO)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C28H29N7O2 495.587000 |
SKNITDPTVHFEGL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316485; PubChem:CID46237140
|
Local ready
Direct docking supported
|
|
E3L052330
BDB052330
|
BDBM50316486
CCn1cc(-c2ccnc3[nH]c(CNCCN(C)C)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C30H34N8O 522.657000 |
DQJRSRINKOLTGU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316486; PubChem:CID46237141
|
Local ready
Direct docking supported
|
|
E3L052331
BDB052331
|
BDBM50316487
CCn1cc(-c2ccnc3[nH]c(CNCCS(C)(=O)=O)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C29H31N7O3S 557.680000 |
KEZAFIAURWAGLZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316487; PubChem:CID46237142
|
Local ready
Direct docking supported
|
|
E3L052332
BDB052332
|
BDBM50316488
CCn1cc(-c2ccnc3[nH]c(CNCCN4CCOCC4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C32H36N8O2 564.694000 |
JPQQLLUZYXRSBP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316488; PubChem:CID46237143
|
Local ready
Direct docking supported
|
|
E3L052333
BDB052333
|
BDBM50316489
CCn1cc(-c2ccnc3[nH]c(CNCCCN4CCN(C)CC4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C34H41N9O 591.764000 |
RDIZFHYTFVBBCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316489; PubChem:CID46888385
|
Local ready
Direct docking supported
|
|
E3L052334
BDB052334
|
BDBM50316490
O=C(Nc1ccccc1)Nc1ccc(-c2n[nH]cc2-c2ccnc3[nH]ccc23)cc1
|
C23H18N6O 394.438000 |
JAYJZBXLNHGEKI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316490; PubChem:CID46888585
|
Local ready
Direct docking supported
|
|
E3L052335
BDB052335
|
BDBM50316491
CCn1ncc(-c2ccnc3[nH]ccc23)c1-c1ccc(NC(=O)Nc2ccccc2)cc1
|
C25H22N6O 422.492000 |
JIJDOMRYZXJLMB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316491; PubChem:CID46888586
|
Local ready
Direct docking supported
|
|
E3L052336
BDB052336
|
BDBM50316492
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C25H22N6O 422.492000 |
CZVVMRNEBRFYTL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316492; PubChem:CID46885625
|
Local ready
Direct docking supported
|
|
E3L052337
BDB052337
|
BDBM50316493
CC(C)(C)n1ncc(-c2ccnc3[nH]ccc23)c1-c1ccc(NC(=O)Nc2ccccc2)cc1
|
C27H26N6O 450.546000 |
HWXNNRXRMBATRT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316493; PubChem:CID46888607
|
Local ready
Direct docking supported
|
|
E3L052338
BDB052338
|
BDBM50316494
CC(C)(C)n1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C27H26N6O 450.546000 |
WHYSRBRRFPMZRT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316494; PubChem:CID46888608
|
Local ready
Direct docking supported
|
|
E3L052339
BDB052339
|
BDBM50316495
O=C(Nc1ccccc1)Nc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccnc3[nH]ccc23)cc1
|
C25H19F3N6O 476.462000 |
MWENAPMGLKQUOH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316495; PubChem:CID46888609
|
Local ready
Direct docking supported
|
|
E3L052340
BDB052340
|
BDBM50316496
O=C(Nc1ccccc1)Nc1ccc(-c2nn(CCO)cc2-c2ccnc3[nH]ccc23)cc1
|
C25H22N6O2 438.491000 |
SJHYJOUKZAHFOM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316496; PubChem:CID46888641
|
Local ready
Direct docking supported
|