| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001501
BDB001501
|
2,4-Bisanilinopyrimidine, 14
O=C(NC1CC1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C20H18FN5O2 379.395000 |
MOVLGZOUINJGGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31835; PubChem:CID44139712
|
Local ready
Direct docking supported
|
|
E3L001502
BDB001502
|
BDBM31836
CC(=O)N1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1
|
C31H29ClFN7O3 602.070000 |
GAAHSFKFIMENOG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31836; PubChem:CID42628077
|
Local ready
Direct docking supported
|
|
E3L001503
BDB001503
|
2,4-Bisanilinopyrimidine, 10
CCN1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1
|
C31H31ClFN7O2 588.087000 |
AKSIZPIFQAYJGF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31837; PubChem:CID44139710
|
Local ready
Direct docking supported
|
|
E3L001504
BDB001504
|
2,4-Bisanilinopyrimidine, 45
Cc1ccc(NC(=O)c2ccc(Nc3nc(Nc4ccc(O)cc4)ncc3F)cc2)cc1
|
C24H20FN5O2 429.455000 |
ABOYPQVEYOMTJZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31838; PubChem:CID44224067
|
Local ready
Direct docking supported
|
|
E3L001505
BDB001505
|
2,4-Bisanilinopyrimidine, 46
O=C(Nc1ccccc1O)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H18FN5O3 431.427000 |
XHQMYSRYYMEOCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31839; PubChem:CID44224068
|
Local ready
Direct docking supported
|
|
E3L001506
BDB001506
|
2,4-Bisanilinopyrimidine, 47
O=C(Nc1cccc(O)c1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H18FN5O3 431.427000 |
LWSHZEDFESCDDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31840; PubChem:CID44224069
|
Local ready
Direct docking supported
|
|
E3L001507
BDB001507
|
2,4-Bisanilinopyrimidine, 48
O=C(Nc1ccc(O)cc1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H18FN5O3 431.427000 |
NTVMMWOPXWEEBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31841; PubChem:CID44224070
|
Local ready
Direct docking supported
|
|
E3L001508
BDB001508
|
2,4-Bisanilinopyrimidine, 49
O=C(Nc1ccccc1F)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H17F2N5O2 433.418000 |
JTDAPLNYHSQSQY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31842; PubChem:CID44224071
|
Local ready
Direct docking supported
|
|
E3L001509
BDB001509
|
2,4-Bisanilinopyrimidine, 50
O=C(Nc1cccc(F)c1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H17F2N5O2 433.418000 |
YUPVGFDKYPJXTL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31843; PubChem:CID44224072
|
Local ready
Direct docking supported
|
|
E3L001510
BDB001510
|
2,4-Bisanilinopyrimidine, 51
O=C(Nc1ccc(F)cc1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H17F2N5O2 433.418000 |
XYQVLRTYZYMTGY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31844; PubChem:CID44224073
|
Local ready
Direct docking supported
|
|
E3L001511
BDB001511
|
2,4-Bisanilinopyrimidine, 52
O=C(Nc1cccc(Cl)c1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H17ClFN5O2 449.873000 |
KMDFTXCPZABHFD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31845; PubChem:CID44224074
|
Local ready
Direct docking supported
|
|
E3L001512
BDB001512
|
2,4-Bisanilinopyrimidine, 53
O=C(Nc1ccc(Cl)cc1)c1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1
|
C23H17ClFN5O2 449.873000 |
LLWXPCNPTNSXEA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31846; PubChem:CID44224075
|
Local ready
Direct docking supported
|
|
E3L001513
BDB001513
|
2,4-Bisanilinopyrimidine, 54
O=C(Nc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1)c1ccccc1
|
C23H18FN5O2 415.428000 |
ZNEQMBVHPXPAGK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31847; PubChem:CID44224076
|
Local ready
Direct docking supported
|
|
E3L001514
BDB001514
|
2,4-Bisanilinopyrimidine, 55
O=C(Nc1ccc(Nc2nc(Nc3ccc(O)cc3)ncc2F)cc1)c1ccccc1F
|
C23H17F2N5O2 433.418000 |
CXSXAZUQNDUUFW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31848; PubChem:CID44224077
|
Local ready
Direct docking supported
|
|
E3L001515
BDB001515
|
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
Cc1cccc(Nc2ncc(F)c(Nc3cccc(C)c3)n2)c1
|
C18H17FN4 308.360000 |
QLWNEJVSSURHRR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31849; PubChem:CID802952
|
Local ready
Direct docking supported
|
|
E3L001516
BDB001516
|
BDBM31850
COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)cc3)n2)cc1
|
C18H17FN4O2 340.358000 |
DKMPKZLVZFPNDI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31850; PubChem:CID802942
|
Local ready
Direct docking supported
|
|
E3L001517
BDB001517
|
5-fluoro-2-N,4-N-diphenylpyrimidine-2,4-diamine
Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1
|
C16H13FN4 280.306000 |
IOBVCHJTLVPPBR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31851; PubChem:CID667926
|
Local ready
Direct docking supported
|
|
E3L001518
BDB001518
|
5-fluoro-N,N'-bis(4-fluorophenyl)pyrimidine-2,4-diamine
Fc1ccc(Nc2ncc(F)c(Nc3ccc(F)cc3)n2)cc1
|
C16H11F3N4 316.286000 |
BTKZQEGTHZXVJD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31852; PubChem:CID954308
|
Local ready
Direct docking supported
|
|
E3L001519
BDB001519
|
2,4-Bisanilinopyrimidine, 18
Oc1ccc(Nc2ncc(F)c(Nc3ccc(O)cc3)n2)cc1
|
C16H13FN4O2 312.304000 |
VRCCTIYIKPFOBO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31853; PubChem:CID22060262
|
Local ready
Direct docking supported
|
|
E3L001520
BDB001520
|
2,4-Bisanilinopyrimidine, 19
Oc1ccc(Nc2cc(Cl)nc(Nc3ccc(O)cc3)n2)cc1
|
C16H13ClN4O2 328.759000 |
DVORMMMGPHLXRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31854; PubChem:CID44224078
|
Local ready
Direct docking supported
|