| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004661
BDB004661
|
BDBM116448
NC(=O)c1cccc2c(NCc3ccc(Cl)c(Cl)c3)ncnc12
|
C16H12Cl2N4O 347.205000 |
XMZNZUXMEXIQDA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116448; PubChem:CID46869705
|
Local ready
Direct docking supported
|
|
E3L004662
BDB004662
|
BDBM116449
COc1ccc(CNc2ncnc3c(C(N)=O)cccc23)cc1
|
C17H16N4O2 308.341000 |
MCWWUUPMCGUKMO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116449; PubChem:CID66763432
|
Local ready
Direct docking supported
|
|
E3L004663
BDB004663
|
4-(Naphthalen-1-ylmethylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3cccc4ccccc34)ncnc12
|
C20H16N4O 328.375000 |
AMOJCASSAZNSPN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116450; PubChem:CID66763456
|
Local ready
Direct docking supported
|
|
E3L004664
BDB004664
|
4-[[(1S)-1-phenylethyl]amino]quinazoline-8-carboxamide
C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C17H16N4O 292.342000 |
IDOIWFPLBQQGRQ-NSHDSACASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116451; PubChem:CID66763345
|
Local ready
Direct docking supported
|
|
E3L004665
BDB004665
|
BDBM116452
NC(=O)c1cccc2c(NCc3ccc(F)cc3)ncnc12
|
C16H13FN4O 296.305000 |
OYGSEHMDQICYSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116452; PubChem:CID66763523
|
Local ready
Direct docking supported
|
|
E3L004666
BDB004666
|
BDBM116453
NC(=O)c1cccc2c(NCc3cccc(C(F)(F)F)c3)ncnc12
|
C17H13F3N4O 346.312000 |
WMHVRDMXMXGXEQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116453; PubChem:CID66762390
|
Local ready
Direct docking supported
|
|
E3L004667
BDB004667
|
BDBM116454
Cc1ccccc1CNc1ncnc2c(C(N)=O)cccc12
|
C17H16N4O 292.342000 |
ZKJCIVWLHGZHIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116454; PubChem:CID66763755
|
Local ready
Direct docking supported
|
|
E3L004668
BDB004668
|
4-Morpholin-4-ylquinazoline-8-carboxamide
NC(=O)c1cccc2c(N3CCOCC3)ncnc12
|
C13H14N4O2 258.281000 |
GCHMJLGIJQKFDV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116455; PubChem:CID66762831
|
Local ready
Direct docking supported
|
|
E3L004669
BDB004669
|
BDBM116456
COc1ccccc1CNc1ncnc2c(C(N)=O)cccc12
|
C17H16N4O2 308.341000 |
DMIBEQVTPKEHBE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116456; PubChem:CID66762624
|
Local ready
Direct docking supported
|
|
E3L004670
BDB004670
|
BDBM116457
NC(=O)c1cccc2c(NC3CCc4ccccc43)ncnc12
|
C18H16N4O 304.353000 |
OIRRIMBUPKXMSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116457; PubChem:CID66763634
|
Local ready
Direct docking supported
|
|
E3L004671
BDB004671
|
4-(Oxolan-2-ylmethylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCC3CCCO3)ncnc12
|
C14H16N4O2 272.308000 |
SHCSMMNECRGLQH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116458; PubChem:CID66762976
|
Local ready
Direct docking supported
|
|
E3L004672
BDB004672
|
BDBM116459
NC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12
|
C16H12F2N4O 314.295000 |
WWPXOBSLFBHGEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116459; PubChem:CID66763159
|
Local ready
Direct docking supported
|
|
E3L004673
BDB004673
|
BDBM116460
NC(=O)c1cccc2c(NCc3ccccc3Cl)ncnc12
|
C16H13ClN4O 312.760000 |
WGFNQCWBTZTERZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116460; PubChem:CID66762752
|
Local ready
Direct docking supported
|
|
E3L004674
BDB004674
|
4-(Pyridin-2-ylmethylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3ccccn3)ncnc12
|
C15H13N5O 279.303000 |
JJYFOCBPTKJASK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116461; PubChem:CID66763163
|
Local ready
Direct docking supported
|
|
E3L004675
BDB004675
|
BDBM116462
NC(=O)c1cccc2c(NCc3ccccc3C(F)(F)F)ncnc12
|
C17H13F3N4O 346.312000 |
ISJYBLSITFIPEB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116462; PubChem:CID66763385
|
Local ready
Direct docking supported
|
|
E3L004676
BDB004676
|
BDBM116463
NC(=O)c1cccc2c(NCc3ccc4c(c3)OCO4)ncnc12
|
C17H14N4O3 322.324000 |
MTPDPEHTPPGPLH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116463; PubChem:CID66763618
|
Local ready
Direct docking supported
|
|
E3L004677
BDB004677
|
BDBM116464
COc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C17H16N4O2 308.341000 |
BIKYYRLGHVJTHO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116464; PubChem:CID66762608
|
Local ready
Direct docking supported
|
|
E3L004678
BDB004678
|
BDBM116465
NC(=O)c1cccc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12
|
C17H13F3N4O 346.312000 |
YZSOMODRJHNWOR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116465; PubChem:CID46869773
|
Local ready
Direct docking supported
|
|
E3L004679
BDB004679
|
BDBM116466
Cc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C17H16N4O 292.342000 |
NHUICIYKHRDWEK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116466; PubChem:CID66763020
|
Local ready
Direct docking supported
|
|
E3L004680
BDB004680
|
BDBM116467
NC(=O)c1cccc2c(NCc3ccccc3F)ncnc12
|
C16H13FN4O 296.305000 |
IHULTJPTZMOSNS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116467; PubChem:CID66762724
|
Local ready
Direct docking supported
|