| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004021
BDB004021
|
4,4'-(Pyrimidine-2,4-diyldiimino)dibenzoic acid
O=C(O)c1ccc(Nc2ccnc(Nc3ccc(C(=O)O)cc3)n2)cc1
|
C18H14N4O4 350.334000 |
PZRUXYWYONKHDD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92795; PubChem:CID779302
|
Local ready
Direct docking supported
|
|
E3L004022
BDB004022
|
Bisanilinopyrimidine, 3j
Cc1cnc(Nc2ccc(C(=O)O)cc2)nc1Nc1ccccc1C(=O)O
|
C19H16N4O4 364.361000 |
RZKXJGQEKOAZKA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92796; PubChem:CID70702125
|
Local ready
Direct docking supported
|
|
E3L004023
BDB004023
|
Bisanilinopyrimidine, 3k
Cc1cc(Nc2ccccc2C(=O)O)nc(Nc2ccc(C(=O)O)cc2)n1
|
C19H16N4O4 364.361000 |
YLQUKPVGUGPRIK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92797; PubChem:CID70702126
|
Local ready
Direct docking supported
|
|
E3L004024
BDB004024
|
Bisanilinopyrimidine, 3n
O=C(O)c1ccc(Nc2ncc(F)c(Nc3ccccc3C(=O)O)n2)cc1
|
C18H13FN4O4 368.324000 |
OFVJQEJBUGCNRT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92799; PubChem:CID70702127
|
Local ready
Direct docking supported
|
|
E3L004025
BDB004025
|
BDBM92800
O=C(O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
|
C17H12ClFN4O2 358.760000 |
BLFRZPJRKJLHGU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92800; PubChem:CID56587966
|
Local ready
Direct docking supported
|
|
E3L004026
BDB004026
|
Bisanilinopyrimidine, 3p
Fc1cnc(Nc2ccccc2)nc1Nc1ccccc1Cl
|
C16H12ClFN4 314.751000 |
WDVBUDQGXBFWKL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92801; PubChem:CID70702128
|
Local ready
Direct docking supported
|
|
E3L004027
BDB004027
|
BDBM92802
O=C(O)c1cccc(Nc2nccc(Nc3ccccc3C(=O)O)n2)c1
|
C18H14N4O4 350.334000 |
CAOQBIMLYDDYEQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92802; PubChem:CID4663984
|
Local ready
Direct docking supported
|
|
E3L004028
BDB004028
|
Bisanilinopyrimidine, 3r
O=C(O)c1cccc(Nc2ncc(F)c(Nc3ccccc3C(=O)O)n2)c1
|
C18H13FN4O4 368.324000 |
ZMDAPBTWJIUZLR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92803; PubChem:CID70702129
|
Local ready
Direct docking supported
|
|
E3L004029
BDB004029
|
Bisanilinopyrimidine, 4c
O=C(O)c1ccc(Nc2nc(Cl)c(Cl)c(Nc3ccccc3C(=O)O)n2)cc1
|
C18H12Cl2N4O4 419.224000 |
CDGKKEPAUJAQHQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92804; PubChem:CID70702130
|
Local ready
Direct docking supported
|
|
E3L004030
BDB004030
|
Bisanilinopyrimidine, 4d
O=C(O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)O)n2)cc1
|
C18H13ClN4O4 384.779000 |
NJOOTPYHNUOYJJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92805; PubChem:CID70702131
|
Local ready
Direct docking supported
|
|
E3L004031
BDB004031
|
Bisanilinopyrimidine, 4a
Nc1cnc(Nc2ccc(C(=O)O)cc2)nc1Nc1ccccc1C(=O)O
|
C18H15N5O4 365.349000 |
AODYKFXLLUYLKO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92806; PubChem:CID70702132
|
Local ready
Direct docking supported
|
|
E3L004032
BDB004032
|
Bisanilinopyrimidine, 4b
Nc1cc(Nc2ccccc2C(=O)O)nc(Nc2ccc(C(=O)O)cc2)n1
|
C18H15N5O4 365.349000 |
IKQHFRXKCWIHEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92807; PubChem:CID70702133
|
Local ready
Direct docking supported
|
|
E3L004033
BDB004033
|
Bisanilinopyrimidine, 6b
FC(F)(F)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
|
C17H13F3N4 330.313000 |
VAMRQWVJTWEEHG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92809; PubChem:CID70702134
|
Local ready
Direct docking supported
|
|
E3L004034
BDB004034
|
Bisanilinopyrimidine, 6c
O=C(O)c1ccc(Nc2nccc(Nc3ccc(F)cc3Cl)n2)cc1
|
C17H12ClFN4O2 358.760000 |
OXLRVKXHGKZBOM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92810; PubChem:CID70702135
|
Local ready
Direct docking supported
|
|
E3L004035
BDB004035
|
Bisanilinopyrimidine, 6e
COc1ccccc1Nc1ccnc(Nc2ccc(C(=O)O)cc2)n1
|
C18H16N4O3 336.351000 |
BZIGYQSSLKXBAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92812; PubChem:CID70702136
|
Local ready
Direct docking supported
|
|
E3L004036
BDB004036
|
Bisanilinopyrimidine, 6f
COc1ccccc1Nc1ccnc(Nc2ccccc2)n1
|
C17H16N4O 292.342000 |
YGUQLIIAZVXGBD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92813; PubChem:CID70702137
|
Local ready
Direct docking supported
|
|
E3L004037
BDB004037
|
Bisanilinopyrimidine, 6g
N#Cc1ccccc1Nc1ccnc(Nc2ccccc2)n1
|
C17H13N5 287.326000 |
HGDMSLNGNHAVPL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92814; PubChem:CID70702138
|
Local ready
Direct docking supported
|
|
E3L004038
BDB004038
|
Bisanilinopyrimidine, 6j
O=C(O)Cc1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C18H15ClN4O2 354.797000 |
NJBQKKJYWPPLNC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92817; PubChem:CID70702139
|
Local ready
Direct docking supported
|
|
E3L004039
BDB004039
|
Bisanilinopyrimidine, 6k
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)c(O)c1
|
C17H13ClN4O3 356.769000 |
KIRMRPKSCCDONI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92818; PubChem:CID70702140
|
Local ready
Direct docking supported
|
|
E3L004040
BDB004040
|
Bisanilinopyrimidine, 6l
Fc1ccccc1Nc1ccnc(Nc2ccccc2)n1
|
C16H13FN4 280.306000 |
HMJQMUVLRTWFDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92819; PubChem:CID70702141
|
Local ready
Direct docking supported
|