| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004841
BDB004841
|
BDBM116648
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(N5CCOCC5)c4)c3)ncnc12
|
C26H25N7O3 483.532000 |
UNRMMILBIIITEU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116648; PubChem:CID66763496
|
Local ready
Direct docking supported
|
|
E3L004842
BDB004842
|
BDBM116651
COCCNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C20H23N5O2 365.437000 |
XOLMMSRNKAXJNW-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116651; PubChem:CID66763208
|
Local ready
Direct docking supported
|
|
E3L004843
BDB004843
|
BDBM116652
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2cc(C#N)ccn2)c1
|
C23H19N7O 409.453000 |
RQAXQHGKLHCEHQ-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116652; PubChem:CID66762766
|
Local ready
Direct docking supported
|
|
E3L004844
BDB004844
|
BDBM116653
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1
|
C26H23F2N5O3 491.498000 |
GTTSANJRVQIGFM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116653; PubChem:CID66763950
|
Local ready
Direct docking supported
|
|
E3L004845
BDB004845
|
BDBM116655
C=CCN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
|
C29H30N6O2 494.599000 |
LCTWFROMTHUGEH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116655; PubChem:CID66763299
|
Local ready
Direct docking supported
|
|
E3L004846
BDB004846
|
BDBM116656
CN(CCO)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C25H25N7O3 471.521000 |
QCETXMLIFLYKQH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116656; PubChem:CID66763975
|
Local ready
Direct docking supported
|
|
E3L004847
BDB004847
|
BDBM116657
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
|
C24H21N5O2 411.465000 |
UUVFRMLWZBOAOM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116657; PubChem:CID66762385
|
Local ready
Direct docking supported
|
|
E3L004848
BDB004848
|
BDBM116658
Cc1occc1C(=O)Nc1cccc(C(C)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C23H21N5O3 415.453000 |
WVHAMWAJDWCCNB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116658; PubChem:CID66763652
|
Local ready
Direct docking supported
|
|
E3L004849
BDB004849
|
BDBM116659
NC(=O)C1=c2ncnc(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)c2=CCC1
|
C29H31BrN6O2 575.511000 |
PDULEZONFAQVLI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116659; PubChem:CID68078662
|
Local ready
Direct docking supported
|
|
E3L004850
BDB004850
|
BDBM116660
COc1ccc(C(=O)NC2=CC(C(CCN(C)C)Nc3ncnc4c(C(N)=O)cccc34)=CCC2)c(F)c1
|
C28H31FN6O3 518.593000 |
GSWYQMZWPSIFDH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116660; PubChem:CID68078743
|
Local ready
Direct docking supported
|
|
E3L004851
BDB004851
|
BDBM116661
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)ncnc12
|
C26H25N7O2 467.533000 |
XGXROOYTEGFACC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116661; PubChem:CID66763951
|
Local ready
Direct docking supported
|
|
E3L004852
BDB004852
|
BDBM116662
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccccc2F)=C1
|
C27H29FN6O2 488.567000 |
COANUJWURZDRKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116662; PubChem:CID68078919
|
Local ready
Direct docking supported
|
|
E3L004853
BDB004853
|
BDBM116663
CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
|
C26H22F3N5O3 509.488000 |
BTWIQOVBQBEGSN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116663; PubChem:CID68078922
|
Local ready
Direct docking supported
|
|
E3L004854
BDB004854
|
BDBM116664
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1
|
C28H27F3N6O3 552.557000 |
DHNFKQPWVFBZIL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116664; PubChem:CID66762832
|
Local ready
Direct docking supported
|
|
E3L004855
BDB004855
|
BDBM116665
NC(=O)c1cccc2c(NC(CCO)C3=CCCC(NC(=O)c4ccccc4)=C3)ncnc12
|
C25H25N5O3 443.507000 |
PLSBOWQASGBKLJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116665; PubChem:CID68078658
|
Local ready
Direct docking supported
|
|
E3L004856
BDB004856
|
BDBM116666
CCN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C20H23N5O 349.438000 |
RWTOHSIAYKNWEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116666; PubChem:CID66763373
|
Local ready
Direct docking supported
|
|
E3L004857
BDB004857
|
BDBM116668
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
|
C26H25N5O3 455.518000 |
YOZQOXRJRWBJBE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116668; PubChem:CID66762598
|
Local ready
Direct docking supported
|
|
E3L004858
BDB004858
|
BDBM116669
Cc1cnc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C23H21N7O2 427.468000 |
PZRFGYNACSHNJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116669; PubChem:CID66763727
|
Local ready
Direct docking supported
|
|
E3L004859
BDB004859
|
BDBM116670
CNCC(Nc1ncnc2c(C(N)=O)cc(OCCN(C)C)cc12)c1cccc(F)c1
|
C22H27FN6O2 426.496000 |
ZSRJHGJCRGZJNH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116670; PubChem:CID68078689
|
Local ready
Direct docking supported
|
|
E3L004860
BDB004860
|
BDBM116672
COc1ccc(C(=O)Nc2cc([C@@H](C)Nc3nccc4c(C(N)=O)cccc34)ccc2F)cc1F
|
C26H22F2N4O3 476.483000 |
NCPSMNWGGLQFPN-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116672; PubChem:CID68078668
|
Local ready
Direct docking supported
|