| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051521
BDB051521
|
BDBM50304202
COc1cc2c(Oc3ccc(-c4nc5ccccc5s4)cc3F)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H30FN5O3S 559.667000 |
RGGYJEYZTPRESN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304202; PubChem:CID44552561
|
Local ready
Direct docking supported
|
|
E3L051522
BDB051522
|
BDBM50304203
COc1cc2c(Oc3ccc(-c4nc5ccccc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H31N5O3S 541.677000 |
CVMUHXWSBHMVGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304203; PubChem:CID12000646
|
Local ready
Direct docking supported
|
|
E3L051523
BDB051523
|
BDBM50304204
COc1cc2c(Oc3ccc(-c4nc5ccccc5s4)cc3)ncnc2cc1OCCCN1CCCC1
|
C29H28N4O3S 512.635000 |
ZIJIMHMKDXTURQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304204; PubChem:CID44552562
|
Local ready
Direct docking supported
|
|
E3L051524
BDB051524
|
BDBM50304205
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3O)c2cc1OC
|
C23H18N4O3S 430.489000 |
YJLOLSDWRBWJAG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304205; PubChem:CID46225679
|
Local ready
Direct docking supported
|
|
E3L051525
BDB051525
|
BDBM50304206
COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OC)c(OC)cc12
|
C24H20N4O3S 444.516000 |
HPJSNEQIUZAEBL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304206; PubChem:CID46225595
|
Local ready
Direct docking supported
|
|
E3L051526
BDB051526
|
BDBM50304207
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H32N6O2S 540.693000 |
OZWMSXPIQVMFDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304207; PubChem:CID46225612
|
Local ready
Direct docking supported
|
|
E3L051527
BDB051527
|
BDBM50304208
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3C)ncnc2cc1OCCCN1CCN(C)CC1
|
C31H34N6O2S 554.720000 |
SSHDKAJDJAVHAF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304208; PubChem:CID46225688
|
Local ready
Direct docking supported
|
|
E3L051528
BDB051528
|
BDBM50304209
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3O)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H32N6O3S 556.692000 |
XXSQNJQHHHVCBG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304209; PubChem:CID46225596
|
Local ready
Direct docking supported
|
|
E3L051529
BDB051529
|
BDBM50304210
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3OC(F)(F)F)ncnc2cc1OCCCN1CCN(C)CC1
|
C31H31F3N6O3S 624.689000 |
ZQXWSHOYNMQRDD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304210; PubChem:CID46225598
|
Local ready
Direct docking supported
|
|
E3L051530
BDB051530
|
BDBM50304211
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1
|
C31H34N6O2S 554.720000 |
MZWALFBOTNMRTP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304211; PubChem:CID46225640
|
Local ready
Direct docking supported
|
|
E3L051531
BDB051531
|
BDBM50304212
COc1ccc2nc(-c3ccc(Nc4ncnc5cc(OCCCN6CCN(C)CC6)c(OC)cc45)cc3)sc2c1
|
C31H34N6O3S 570.719000 |
MOQBNQNUPNPLCH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304212; PubChem:CID46225611
|
Local ready
Direct docking supported
|
|
E3L051532
BDB051532
|
BDBM50304213
COc1cc2c(Nc3ccc(-c4nc5ccc(Cl)cc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H31ClN6O2S 575.138000 |
WMBJPWPAQLGSFL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304213; PubChem:CID46225664
|
Local ready
Direct docking supported
|
|
E3L051533
BDB051533
|
BDBM50304214
COc1cc2c(Nc3ccc(-c4nc5ccc(Cl)cc5s4)cc3F)ncnc2cc1OCCCN1CCN(C)CC1
|
C30H30ClFN6O2S 593.128000 |
WZTHBTBWYVSGPF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304214; PubChem:CID46225667
|
Local ready
Direct docking supported
|
|
E3L051534
BDB051534
|
BDBM50304215
COc1cc2c(N(C)c3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1
|
C32H36N6O3S 584.746000 |
NSXLLHJZQNFGCH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304215; PubChem:CID46225668
|
Local ready
Direct docking supported
|
|
E3L051535
BDB051535
|
BDBM50304216
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3O)c2cc1OCCCN1CCN(C)CC1
|
C30H32N6O3S 556.692000 |
DPYASQWYHILTBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304216; PubChem:CID46225680
|
Local ready
Direct docking supported
|
|
E3L051536
BDB051536
|
BDBM50304217
COc1cc(-c2nc3ccccc3s2)ccc1Nc1ncnc2cc(OC)c(OCCCN3CCN(C)CC3)cc12
|
C31H34N6O3S 570.719000 |
FLGQTDLHJSQLIG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304217; PubChem:CID46225681
|
Local ready
Direct docking supported
|
|
E3L051537
BDB051537
|
BDBM50304218
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)cc3F)c2cc1OCCCN1CCN(C)CC1
|
C30H31FN6O2S 558.683000 |
IPIWNOAWKGRYOY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304218; PubChem:CID46225599
|
Local ready
Direct docking supported
|
|
E3L051538
BDB051538
|
BDBM50304219
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)c2cc1OCCCN1CCN(C)CC1
|
C30H32N6O3S 556.692000 |
CYXVEZJWVJIFPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304219; PubChem:CID135971426
|
Local ready
Direct docking supported
|
|
E3L051539
BDB051539
|
BDBM50304220
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1
|
C31H34N6O3S 570.719000 |
KHEXPUZMPCBDCB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304220; PubChem:CID46225682
|
Local ready
Direct docking supported
|
|
E3L051540
BDB051540
|
BDBM50304221
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)c2cc1OCCCN1CCN(C)CC1
|
C30H31FN6O2S 558.683000 |
DIOOREPVPOCQKL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50304221; PubChem:CID46225632
|
Local ready
Direct docking supported
|