| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001521
BDB001521
|
BDBM31855
Cc1cc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)n1
|
C17H16N4O2 308.341000 |
ZGISWAPMFGULSM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31855; PubChem:CID353592
|
Local ready
Direct docking supported
|
|
E3L001522
BDB001522
|
2,4-Bisanilinopyrimidine, 21
Cc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(O)cc2)c1C
|
C18H18N4O2 322.368000 |
XWIAAELWGFVDFU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31856; PubChem:CID44224079
|
Local ready
Direct docking supported
|
|
E3L001523
BDB001523
|
4-[[2-(4-Hydroxyanilino)pyrimidin-4-yl]amino]phenol
Oc1ccc(Nc2ccnc(Nc3ccc(O)cc3)n2)cc1
|
C16H14N4O2 294.314000 |
WMFAUJHWHPFJDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31857; PubChem:CID3008640
|
Local ready
Direct docking supported
|
|
E3L001524
BDB001524
|
2,4-Bisanilinopyrimidine, 23
Oc1ccc(Nc2ncc(Cl)c(Nc3ccc(O)cc3)n2)cc1
|
C16H13ClN4O2 328.759000 |
FEPCQUSZQBCNQK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31858; PubChem:CID44224080
|
Local ready
Direct docking supported
|
|
E3L001525
BDB001525
|
2,4-Bisanilinopyrimidine, 24
Oc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(O)cc3)n2)cc1
|
C17H13F3N4O2 362.311000 |
YPKCSJRUMZSEIB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31859; PubChem:CID44224081
|
Local ready
Direct docking supported
|
|
E3L001526
BDB001526
|
2,4-Bisanilinopyrimidine, 25
N#Cc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
|
C17H13N5O2 319.324000 |
BBZNLRUQIPMLSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31860; PubChem:CID44224082
|
Local ready
Direct docking supported
|
|
E3L001527
BDB001527
|
BDBM31861
Cc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
|
C17H16N4O2 308.341000 |
HWFBYVWEGBFFIJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31861; PubChem:CID5271602
|
Local ready
Direct docking supported
|
|
E3L001528
BDB001528
|
2,4-Bisanilinopyrimidine, 27
CCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
|
C18H18N4O2 322.368000 |
WVKVQQDYDQXFQL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31862; PubChem:CID44224083
|
Local ready
Direct docking supported
|
|
E3L001529
BDB001529
|
2,4-Bisanilinopyrimidine, 29
COc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
|
C17H15FN4O2 326.331000 |
LZJBAIBBCDYVPK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31863; PubChem:CID44224084
|
Local ready
Direct docking supported
|
|
E3L001530
BDB001530
|
2,4-Bisanilinopyrimidine, 30
COc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
|
C17H15FN4O2 326.331000 |
XEVZVBKTRGFDAO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31864; PubChem:CID44224085
|
Local ready
Direct docking supported
|
|
E3L001531
BDB001531
|
2,4-Bisanilinopyrimidine, 31
COc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C17H15FN4O2 326.331000 |
VIKOFEDRFOYCHQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31865; PubChem:CID44224086
|
Local ready
Direct docking supported
|
|
E3L001532
BDB001532
|
2,4-Bisanilinopyrimidine, 32
Cc1ccccc1Nc1nc(Nc2ccc(O)cc2)ncc1F
|
C17H15FN4O 310.332000 |
GUSWKTSJWYUILM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31866; PubChem:CID44224087
|
Local ready
Direct docking supported
|
|
E3L001533
BDB001533
|
2,4-Bisanilinopyrimidine, 33
Cc1cccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)c1
|
C17H15FN4O 310.332000 |
FKMCOGMATDCGOQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31867; PubChem:CID44224088
|
Local ready
Direct docking supported
|
|
E3L001534
BDB001534
|
2,4-Bisanilinopyrimidine, 34
Cc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C17H15FN4O 310.332000 |
LUWDIZQWANMLNR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31868; PubChem:CID44224089
|
Local ready
Direct docking supported
|
|
E3L001535
BDB001535
|
2,4-Bisanilinopyrimidine, 35
NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C17H14FN5O2 339.330000 |
ARURHNTUFMFLNE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31869; PubChem:CID44224090
|
Local ready
Direct docking supported
|
|
E3L001536
BDB001536
|
2,4-Bisanilinopyrimidine, 36
CN(C)C(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C19H18FN5O2 367.384000 |
CGRAHNALUOBLKM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31870; PubChem:CID44224091
|
Local ready
Direct docking supported
|
|
E3L001537
BDB001537
|
2,4-Bisanilinopyrimidine, 37
CCCNC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C20H20FN5O2 381.411000 |
DCXBBYHYLUEEGK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31871; PubChem:CID44224092
|
Local ready
Direct docking supported
|
|
E3L001538
BDB001538
|
2,4-Bisanilinopyrimidine, 38
CC(C)NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C20H20FN5O2 381.411000 |
YQJQJLXDRHRUTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31872; PubChem:CID44224093
|
Local ready
Direct docking supported
|
|
E3L001539
BDB001539
|
2,4-Bisanilinopyrimidine, 39
O=C(Nc1ccccc1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H18FN5O2 415.428000 |
ZPAYPTTVUDBXSU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31873; PubChem:CID44224094
|
Local ready
Direct docking supported
|
|
E3L001540
BDB001540
|
2,4-Bisanilinopyrimidine, 40
COc1ccccc1NC(=O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C24H20FN5O3 445.454000 |
VQZIATWRZBVRPR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31874; PubChem:CID44224095
|
Local ready
Direct docking supported
|