| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055921
BDB055921
|
BDBM50433630
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)cc1C(F)(F)F
|
C26H16F4N4O2 492.432000 |
XISIJMIPHPQCQQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433630; PubChem:CID58167984
|
Local ready
Direct docking supported
|
|
E3L055922
BDB055922
|
BDBM50433631
COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
|
C26H19FN4O3 454.461000 |
SVXYIHAHZMQVBU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433631; PubChem:CID68649048
|
Local ready
Direct docking supported
|
|
E3L055923
BDB055923
|
BDBM50433632
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cc(F)cc(F)c1
|
C25H16F2N4O2 442.425000 |
DAKDDXUSLPNQJJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433632; PubChem:CID58168051
|
Local ready
Direct docking supported
|
|
E3L055924
BDB055924
|
BDBM50433633
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)c(F)c1
|
C25H16F2N4O2 442.425000 |
ZBPGILZGNLFHOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433633; PubChem:CID44207312
|
Local ready
Direct docking supported
|
|
E3L055925
BDB055925
|
BDBM50433634
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1c(F)cccc1F
|
C25H16F2N4O2 442.425000 |
SBCKWBIUBYZDRL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433634; PubChem:CID44207314
|
Local ready
Direct docking supported
|
|
E3L055926
BDB055926
|
BDBM50433635
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)cc1F
|
C25H16F2N4O2 442.425000 |
BPQKNCMYCHBDMJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433635; PubChem:CID44207547
|
Local ready
Direct docking supported
|
|
E3L055927
BDB055927
|
BDBM50433636
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccc(F)c1F
|
C25H16F2N4O2 442.425000 |
VKXOHXJUQSDMJO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433636; PubChem:CID44208454
|
Local ready
Direct docking supported
|
|
E3L055928
BDB055928
|
BDBM50433637
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(C(F)(F)F)cc1
|
C26H17F3N4O2 474.442000 |
YZSQQCSTOBVGNF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433637; PubChem:CID58168094
|
Local ready
Direct docking supported
|
|
E3L055929
BDB055929
|
BDBM50433638
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)cc1
|
C25H17FN4O2 424.435000 |
GZEGBHAXGLPTQY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433638; PubChem:CID44207069
|
Local ready
Direct docking supported
|
|
E3L055930
BDB055930
|
BDBM50433639
Cc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)cc1
|
C26H20N4O2 420.472000 |
UANPKXDLMMRBAX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433639; PubChem:CID44207549
|
Local ready
Direct docking supported
|
|
E3L055931
BDB055931
|
BDBM50433640
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccc(F)c1
|
C25H17FN4O2 424.435000 |
CNDJXGSDDHGEBJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433640; PubChem:CID58168151
|
Local ready
Direct docking supported
|
|
E3L055932
BDB055932
|
BDBM50433641
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1C(F)(F)F
|
C26H17F3N4O2 474.442000 |
GHXCSPGXRVESNT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433641; PubChem:CID44207068
|
Local ready
Direct docking supported
|
|
E3L055933
BDB055933
|
BDBM50433642
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccccc1F
|
C25H17FN4O2 424.435000 |
MHBFJQBMIDGZOZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433642; PubChem:CID44207311
|
Local ready
Direct docking supported
|
|
E3L055934
BDB055934
|
BDBM50433643
COc1ccccc1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
|
C26H20N4O3 436.471000 |
QZEWXOZPGITETL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433643; PubChem:CID44205288
|
Local ready
Direct docking supported
|
|
E3L055935
BDB055935
|
BDBM50433644
O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
|
C23H16N6O2 408.421000 |
YQONVVWDOUUEGH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433644; PubChem:CID71614919
|
Local ready
Direct docking supported
|
|
E3L055936
BDB055936
|
BDBM50433645
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1
|
C24H17N5O2 407.433000 |
RESQIOFIUHXDCZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433645; PubChem:CID58168083
|
Local ready
Direct docking supported
|
|
E3L055937
BDB055937
|
BDBM50433646
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1
|
C24H17N5O2 407.433000 |
JALSZBXKSDMYIN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433646; PubChem:CID44206601
|
Local ready
Direct docking supported
|
|
E3L055938
BDB055938
|
BDBM50433647
CNc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
|
C19H16N4O 316.364000 |
SQVGIBXTRLFNOR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433647; PubChem:CID71614918
|
Local ready
Direct docking supported
|
|
E3L055939
BDB055939
|
BDBM50433648
Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
|
C18H14N4O 302.337000 |
IHHAFBJIDYEHKN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433648; PubChem:CID58168047
|
Local ready
Direct docking supported
|
|
E3L055940
BDB055940
|
1-Phenylamino-5H-benzo[c][1,8]naphthyridin-6-one
O=c1[nH]c2nccc(Nc3ccccc3)c2c2ccccc12
|
C18H13N3O 287.322000 |
ONKLLWFAONHNLU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433649; PubChem:CID58167992
|
Local ready
Direct docking supported
|