| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004681
BDB004681
|
BDBM116468
CC(C)(C)OC(=O)Nc1ccc(CNc2ncnc3c(C(N)=O)cccc23)cc1
|
C21H23N5O3 393.447000 |
SLJMTERFCITLKA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116468; PubChem:CID66761899
|
Local ready
Direct docking supported
|
|
E3L004682
BDB004682
|
BDBM116469
NC(=O)c1cccc2c(NCc3ccc(O)cc3)ncnc12
|
C16H14N4O2 294.314000 |
YCHSXJRAGAUBDB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116469; PubChem:CID66762872
|
Local ready
Direct docking supported
|
|
E3L004683
BDB004683
|
4-[(4-Aminobenzyl)amino]quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3ccc(N)cc3)ncnc12
|
C16H15N5O 293.330000 |
NPSTWKVVOHABJN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116470; PubChem:CID66763600
|
Local ready
Direct docking supported
|
|
E3L004684
BDB004684
|
BDBM116471
NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4ccc(F)cc4)cc3)ncnc12
|
C23H18FN5O2 415.428000 |
OUWPANSBFVVNQI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116471; PubChem:CID66762548
|
Local ready
Direct docking supported
|
|
E3L004685
BDB004685
|
4-[(3-Aminobenzyl)amino]quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3cccc(N)c3)ncnc12
|
C16H15N5O 293.330000 |
HAWMGYVPJGGBFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116472; PubChem:CID66762688
|
Local ready
Direct docking supported
|
|
E3L004686
BDB004686
|
BDBM116473
NC(=O)c1cccc2c(NCc3cccc(O)c3)ncnc12
|
C16H14N4O2 294.314000 |
VAEZBUIDWWPJBW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116473; PubChem:CID66762882
|
Local ready
Direct docking supported
|
|
E3L004687
BDB004687
|
BDBM116474
CC(C)(C)OC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C21H23N5O3 393.447000 |
AXWHGWQLVTVMQA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116474; PubChem:CID66763737
|
Local ready
Direct docking supported
|
|
E3L004688
BDB004688
|
BDBM116475
NC(=O)c1cccc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C17H12ClF3N4O 380.757000 |
BXSXPCFESWIUHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116475; PubChem:CID66763666
|
Local ready
Direct docking supported
|
|
E3L004689
BDB004689
|
BDBM116476
NC(=O)c1cccc2c(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ncnc12
|
C18H12F6N4O 414.309000 |
IGNYVMCNJAYJLQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116476; PubChem:CID77014377
|
Local ready
Direct docking supported
|
|
E3L004690
BDB004690
|
BDBM116477
NC(=O)c1cccc2c(NCc3ccc4c(c3)OCO4)ccnc12
|
C18H15N3O3 321.336000 |
IUJLVKHXNQQZGT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116477; PubChem:CID66763204
|
Local ready
Direct docking supported
|
|
E3L004691
BDB004691
|
BDBM116478
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)ncnc12
|
C23H18FN5O2 415.428000 |
AKPRVQKEQOLLND-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116478; PubChem:CID66763604
|
Local ready
Direct docking supported
|
|
E3L004692
BDB004692
|
BDBM116479
NC(=O)c1cccc2c(NCc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc12
|
C22H19N5O3S 433.493000 |
UWAHUYQMZBLVQI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116479; PubChem:CID66763370
|
Local ready
Direct docking supported
|
|
E3L004693
BDB004693
|
BDBM116480
NC(=O)c1cccc2c(NCc3cccc(NS(=O)(=O)c4ccccc4)c3)ncnc12
|
C22H19N5O3S 433.493000 |
DUJXFWUVHKUVIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116480; PubChem:CID66763371
|
Local ready
Direct docking supported
|
|
E3L004694
BDB004694
|
BDBM116481
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4)c3)ncnc12
|
C23H20N6O2 412.453000 |
YKEMJPHTBLZSFI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116481; PubChem:CID66763893
|
Local ready
Direct docking supported
|
|
E3L004695
BDB004695
|
BDBM116482
NC(=O)c1cccc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc12
|
C23H20N6O2 412.453000 |
KDBVTPCFYDAGLG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116482; PubChem:CID66763812
|
Local ready
Direct docking supported
|
|
E3L004696
BDB004696
|
BDBM116483
NC(=O)c1cc([N+](=O)[O-])cc2c(NCc3cccc(C(F)(F)F)c3)ncnc12
|
C17H12F3N5O3 391.309000 |
SXLJOZVUCVEXKL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116483; PubChem:CID66762680
|
Local ready
Direct docking supported
|
|
E3L004697
BDB004697
|
BDBM116484
NC(=O)c1cc(N)cc2c(NCc3cccc(C(F)(F)F)c3)ncnc12
|
C17H14F3N5O 361.327000 |
WCXKGMCKLVFHBH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116484; PubChem:CID66763525
|
Local ready
Direct docking supported
|
|
E3L004698
BDB004698
|
BDBM116485
NC(=O)c1cc([N+](=O)[O-])cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C17H11ClF3N5O3 425.754000 |
NWCVETNDCNXQME-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116485; PubChem:CID66762050
|
Local ready
Direct docking supported
|
|
E3L004699
BDB004699
|
BDBM116486
NC(=O)c1ccc(CNc2ncnc3c(C(N)=O)cccc23)cc1
|
C17H15N5O2 321.340000 |
AQRMLOVFGRUTBX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116486; PubChem:CID66763172
|
Local ready
Direct docking supported
|
|
E3L004700
BDB004700
|
BDBM116487
NC(=O)c1cccc2c(NCc3ccc4c(c3)CCO4)ncnc12
|
C18H16N4O2 320.352000 |
FCWOKBAQNTUHOR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116487; PubChem:CID66763133
|
Local ready
Direct docking supported
|