| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005041
BDB005041
|
BDBM116872
CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC2(F)F)c1
|
C22H21F2N5O2 425.439000 |
ZZCZGLYROGNMLJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116872; PubChem:CID66763857
|
Local ready
Direct docking supported
|
|
E3L005042
BDB005042
|
BDBM116873
CC(CC(F)(F)F)C(=O)Nc1cccc([C@@H](C)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C22H22F3N5O2 445.445000 |
RZRPIHMYICQRMC-ZGTCLIOFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116873; PubChem:CID66762726
|
Local ready
Direct docking supported
|
|
E3L005043
BDB005043
|
BDBM116874
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(=O)[nH]c2)c1
|
C23H20N6O3 428.452000 |
LNSIQBCMRAUWIA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116874; PubChem:CID66763362
|
Local ready
Direct docking supported
|
|
E3L005044
BDB005044
|
BDBM116875
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)CC(F)(F)F)c1
|
C20H18F3N5O2 417.391000 |
GWQXSFUEKBLIOK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116875; PubChem:CID66763386
|
Local ready
Direct docking supported
|
|
E3L005045
BDB005045
|
BDBM116876
Cc1ccc2ccnc(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2c1
|
C26H22N6O 434.503000 |
VYMXEYWXROCERJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116876; PubChem:CID66762648
|
Local ready
Direct docking supported
|
|
E3L005046
BDB005046
|
BDBM116877
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(C(F)(F)F)cn4)c3)ncnc12
|
C22H17F3N6O 438.413000 |
OQAVDYCSFNEKFW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116877; PubChem:CID66763424
|
Local ready
Direct docking supported
|
|
E3L005047
BDB005047
|
BDBM116878
NC(=O)c1cccc2c(Nc3cccc(CNC(=O)c4ccc(C(F)(F)F)cc4)c3)ncnc12
|
C24H18F3N5O2 465.435000 |
ICODOOXDNPOINQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116878; PubChem:CID68078896
|
Local ready
Direct docking supported
|
|
E3L005048
BDB005048
|
BDBM116879
NC(=O)c1cccc2c(NCC3CC=CC(=NC(O)c4c[nH]c5ncccc45)C3)ncnc12
|
C24H23N7O2 441.495000 |
MVVLRGOQAYKEMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116879; PubChem:CID123602818
|
Local ready
Direct docking supported
|
|
E3L005049
BDB005049
|
BDBM116880
CCN1CCC(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C1
|
C24H28N6O2 432.528000 |
SQGDXPPAXDZIBA-LDCVWXEPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116880; PubChem:CID66762848
|
Local ready
Direct docking supported
|
|
E3L005050
BDB005050
|
BDBM116881
NC(=O)c1cccc2c(NCC3C=C(NC(=O)c4ccncc4)C=CC3)ncnc12
|
C22H20N6O2 400.442000 |
MXPLKNYFRWTHPW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116881; PubChem:CID68078864
|
Local ready
Direct docking supported
|
|
E3L005051
BDB005051
|
BDBM116882
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2ccc(CN3CCOCC3)cn2)c1
|
C27H29N7O2 483.576000 |
AOLZRAWEDMEAQY-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116882; PubChem:CID66763606
|
Local ready
Direct docking supported
|
|
E3L005052
BDB005052
|
BDBM116883
COCCOc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C26H25N5O4 471.517000 |
OVSOFMFOYROLMC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116883; PubChem:CID66763324
|
Local ready
Direct docking supported
|
|
E3L005053
BDB005053
|
BDBM116884
CN(C)CCCOC1C=CC(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)=CC1
|
C28H32N6O3 500.603000 |
KFYFFELQRLSBEN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116884; PubChem:CID68078853
|
Local ready
Direct docking supported
|
|
E3L005054
BDB005054
|
BDBM116885
NC(=O)c1cccc2c(NCc3cccc(Nc4ncnc5nc[nH]c45)c3)ncnc12
|
C21H17N9O 411.429000 |
DVEOTEMULYJRLQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116885; PubChem:CID66763757
|
Local ready
Direct docking supported
|
|
E3L005055
BDB005055
|
BDBM116886
CCN(CC)CCNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(O)c4ccc(OC)cc4)c3)c2c1
|
C31H39N7O3 557.699000 |
JLOVLGWBSKSKJB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116886; PubChem:CID68078871
|
Local ready
Direct docking supported
|
|
E3L005056
BDB005056
|
BDBM116887
NC(=O)c1cccc2c(NCc3cccc(NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)c3)ncnc12
|
C23H21F3N6O3 486.454000 |
FYKFXQJIZTXDAS-KRWDZBQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116887; PubChem:CID77014401
|
Local ready
Direct docking supported
|
|
E3L005057
BDB005057
|
BDBM116888
COCCOc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C26H25N5O4 471.517000 |
FYWNMALNWQLLBJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116888; PubChem:CID66763633
|
Local ready
Direct docking supported
|
|
E3L005058
BDB005058
|
BDBM116889
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(N)cn4)c3)ncnc12
|
C21H19N7O 385.431000 |
PFUMSQGNDBBXLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116889; PubChem:CID66763616
|
Local ready
Direct docking supported
|
|
E3L005059
BDB005059
|
BDBM116890
Cc1nc2ccnc(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2[nH]1
|
C23H20N8O 424.468000 |
FNFNFQPDKWQWMU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116890; PubChem:CID66762810
|
Local ready
Direct docking supported
|
|
E3L005060
BDB005060
|
BDBM116891
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cnn5c4CNCC5)c3)ncnc12
|
C23H22N8O2 442.483000 |
BQLIAGXOCFHIGO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116891; PubChem:CID66763954
|
Local ready
Direct docking supported
|