| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004041
BDB004041
|
Bisanilinopyrimidine, 6m
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3I)n2)cc1
|
C17H13IN4O2 432.221000 |
KTJZWLQXUOEWLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92820; PubChem:CID70702142
|
Local ready
Direct docking supported
|
|
E3L004042
BDB004042
|
Bisanilinopyrimidine, 6o
O=C(O)c1ccccc1Nc1nccc(Nc2ccccc2Cl)n1
|
C17H13ClN4O2 340.770000 |
PTPAZHBJYWLPAU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92822; PubChem:CID70702143
|
Local ready
Direct docking supported
|
|
E3L004043
BDB004043
|
BDBM92824
O=C(O)c1ccc(Nc2nccc(Nc3ccccc3-c3ccccc3)n2)cc1
|
C23H18N4O2 382.423000 |
RSUKUXYTJJCQKG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92824; PubChem:CID56587962
|
Local ready
Direct docking supported
|
|
E3L004044
BDB004044
|
BDBM92825
CN(c1ccnc(Nc2ccc(C(=O)O)cc2)n1)c1ccccc1Cl
|
C18H15ClN4O2 354.797000 |
YOYMBHSZARGJMA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92825; PubChem:CID70702145
|
Local ready
Direct docking supported
|
|
E3L004045
BDB004045
|
Bisanilinopyrimidine, 6s
CCN(c1ccnc(Nc2ccc(C(=O)O)cc2)n1)c1ccccc1Cl
|
C19H17ClN4O2 368.824000 |
WUNZTFBHHZYLEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92826; PubChem:CID70702146
|
Local ready
Direct docking supported
|
|
E3L004046
BDB004046
|
Bisanilinopyrimidine, 6t
O=C(O)c1ccccc1Nc1nccc(Nc2ccccc2F)n1
|
C17H13FN4O2 324.315000 |
ZUTMQXWVTIJHLY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92827; PubChem:CID70702147
|
Local ready
Direct docking supported
|
|
E3L004047
BDB004047
|
Bisanilinopyrimidine, 9a
O=C(NCCN1CCOCC1)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C23H25ClN6O2 452.946000 |
DKDRRZIRAAABEN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92828; PubChem:CID70702148
|
Local ready
Direct docking supported
|
|
E3L004048
BDB004048
|
Bisanilinopyrimidine, 9b
CN(C)CCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C21H23ClN6O 410.909000 |
IUTUNANTVVQXCT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92829; PubChem:CID70702149
|
Local ready
Direct docking supported
|
|
E3L004049
BDB004049
|
Bisanilinopyrimidine, 9c
COCCNC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C20H20ClN5O2 397.866000 |
JXDMCBSKXVYKEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92830; PubChem:CID70702150
|
Local ready
Direct docking supported
|
|
E3L004050
BDB004050
|
Bisanilinopyrimidine, 9d
CS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C17H15ClN4O2S 374.853000 |
ISYIJSJVYFOFPY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92831; PubChem:CID70702151
|
Local ready
Direct docking supported
|
|
E3L004051
BDB004051
|
Bisanilinopyrimidine, 9e
CC(=O)Nc1cccc(Nc2nccc(Nc3ccccc3Cl)n2)c1
|
C18H16ClN5O 353.813000 |
XSPGWDVICYATDA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92832; PubChem:CID70702152
|
Local ready
Direct docking supported
|
|
E3L004052
BDB004052
|
Bisanilinopyrimidine, 9f
O=c1[nH]c2ccc(Nc3nccc(Nc4ccccc4Cl)n3)cc2[nH]1
|
C17H13ClN6O 352.785000 |
IHHQKCHZXRIDLL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92833; PubChem:CID70702153
|
Local ready
Direct docking supported
|
|
E3L004053
BDB004053
|
Bisanilinopyrimidine, 9g
COc1cc(Nc2nccc(Nc3ccccc3Cl)n2)ccc1C(=O)O
|
C18H15ClN4O3 370.796000 |
XWKGGYUMIFVAAX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92834; PubChem:CID70702154
|
Local ready
Direct docking supported
|
|
E3L004054
BDB004054
|
Bisanilinopyrimidine, 9h
Clc1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
|
C20H20ClN5O 381.867000 |
SWLCIRDDAOKOHP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92835; PubChem:CID70702155
|
Local ready
Direct docking supported
|
|
E3L004055
BDB004055
|
Bisanilinopyrimidine, 6p
NC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C17H14ClN5O 339.786000 |
DKZGAIQFKXCKMJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92836; PubChem:CID70702144
|
Local ready
Direct docking supported
|
|
E3L004056
BDB004056
|
Bisanilinopyrimidine, 9i
NS(=O)(=O)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C16H14ClN5O2S 375.841000 |
XNPFPPICVRIXSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92837; PubChem:CID70702156
|
Local ready
Direct docking supported
|
|
E3L004057
BDB004057
|
Bisanilinopyrimidine, 9j
Fc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1ccccc1Cl
|
C20H19ClFN5O 399.857000 |
GGUACUDIPNNWFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92838; PubChem:CID70702157
|
Local ready
Direct docking supported
|
|
E3L004058
BDB004058
|
Bisanilinopyrimidine, 9k
Fc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1ccccc1Cl
|
C21H21ClFN5O 413.884000 |
KIYUOKDYRVSOAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92839; PubChem:CID70702158
|
Local ready
Direct docking supported
|
|
E3L004059
BDB004059
|
Bisanilinopyrimidine, 9l
O=C(NCCO)c1ccc(Nc2nccc(Nc3ccccc3Cl)n2)cc1
|
C19H18ClN5O2 383.839000 |
DFIKQTZUHIIMDU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92840; PubChem:CID70702159
|
Local ready
Direct docking supported
|
|
E3L004060
BDB004060
|
Bisanilinopyrimidine, 9m
NC(=O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1
|
C17H13ClFN5O 357.776000 |
XSPXJYVALVHTAJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM92841; PubChem:CID70702160
|
Local ready
Direct docking supported
|