| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054861
BDB054861
|
BDBM50389226
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4cc(C)on4)cc3)n[nH]2)cc(N2CCN(CCO)CC2)n1
|
C27H33N9O4 547.620000 |
YALRSSKMFGDNEE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389226; PubChem:CID60199004
|
Local ready
Direct docking supported
|
|
E3L054862
BDB054862
|
BDBM50389227
Cc1nc(Nc2cc(-c3ccc(CNC(=O)OCc4ccccc4)cc3)n[nH]2)cc(N2CCNCC2)n1
|
C27H30N8O2 498.591000 |
ZNXFJCPQRCAINI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389227; PubChem:CID70690710
|
Local ready
Direct docking supported
|
|
E3L054863
BDB054863
|
BDBM50389228
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)OCc5ccccc5)cc4)n[nH]3)cc2)CC1
|
C29H30N6O3 510.598000 |
OZLZIPAXURDELS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389228; PubChem:CID70654868
|
Local ready
Direct docking supported
|
|
E3L054864
BDB054864
|
BDBM50389229
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(NC(=O)Oc5ccccc5)cc4)n[nH]3)cc2)CC1
|
C28H28N6O3 496.571000 |
BZUUUPJMATYANA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389229; PubChem:CID70654499
|
Local ready
Direct docking supported
|
|
E3L054865
BDB054865
|
BDBM50389230
O=C(Nc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)cc1)Oc1ccccc1
|
C29H29N5O4 511.582000 |
COAWOLGBXJWLNS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389230; PubChem:CID70654613
|
Local ready
Direct docking supported
|
|
E3L054866
BDB054866
|
BDBM50389231
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)Oc5ccccc5)cc4)n[nH]3)cc2)CC1
|
C29H30N6O3 510.598000 |
VQWQMCSERGTZMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389231; PubChem:CID70654709
|
Local ready
Direct docking supported
|
|
E3L054867
BDB054867
|
BDBM50389232
CCOC(=O)NCc1ccc(-c2cc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)[nH]n2)cc1
|
C25H30N6O3 462.554000 |
HFXKSCMJQILIDT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389232; PubChem:CID70654694
|
Local ready
Direct docking supported
|
|
E3L054868
BDB054868
|
BDBM50389233
CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)OCc5ccccc5)cc4)n[nH]3)cc2)CC1
|
C30H32N6O3 524.625000 |
YADAQXVHBLKOIU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389233; PubChem:CID70661448
|
Local ready
Direct docking supported
|
|
E3L054869
BDB054869
|
BDBM50389234
O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCCC4)cc3)[nH]n2)cc1)OCc1ccccc1
|
C31H33N5O4 539.636000 |
MWOBEOJMSDHMFO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389234; PubChem:CID70654492
|
Local ready
Direct docking supported
|
|
E3L054870
BDB054870
|
BDBM50389235
CN1CCN(Cc2ccc(C(=O)Nc3cc(-c4ccc(CNC(=O)OCc5ccccc5)cc4)n[nH]3)cc2)CC1
|
C31H34N6O3 538.652000 |
DBDOMJWNBDLGSW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389235; PubChem:CID70655056
|
Local ready
Direct docking supported
|
|
E3L054871
BDB054871
|
BDBM50389236
O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)[nH]n2)cc1)OCc1ccccc1
|
C31H33N5O5 555.635000 |
JHEAOACIBKNBHF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389236; PubChem:CID70655070
|
Local ready
Direct docking supported
|
|
E3L054872
BDB054872
|
BDBM50389237
O=C(NCc1ccc(-c2cc(NC(=O)c3ccc(OCCCN4CCCC4)cc3)[nH]n2)cc1)OCc1ccccc1
|
C32H35N5O4 553.663000 |
JIJJAEDYERZRJB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389237; PubChem:CID70657170
|
Local ready
Direct docking supported
|
|
E3L054873
BDB054873
|
BDBM50389238
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)c12
|
C22H18F3N7O2 469.427000 |
FJGYGQJTRHDGSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389238; PubChem:CID44518362
|
Local ready
Direct docking supported
|
|
E3L054874
BDB054874
|
BDBM50389239
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
|
C22H18FN5O3 419.416000 |
ZYZLQFUSJAKKPA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389239; PubChem:CID25138349
|
Local ready
Direct docking supported
|
|
E3L054875
BDB054875
|
BDBM50389240
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4)c3)c12
|
C22H19N5O3 401.426000 |
UFPZESBZRBQJGP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389240; PubChem:CID25175480
|
Local ready
Direct docking supported
|
|
E3L054876
BDB054876
|
BDBM50389241
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
|
C20H16FN7O2 405.393000 |
DASFSPDIWCMVRW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389241; PubChem:CID44520205
|
Local ready
Direct docking supported
|
|
E3L054877
BDB054877
|
BDBM50389242
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)cc4)c3)c12
|
C22H18FN5O3 419.416000 |
GUQUEFLOUDFDFG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389242; PubChem:CID25175648
|
Local ready
Direct docking supported
|
|
E3L054878
BDB054878
|
BDBM50389243
Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
|
C22H18F2N6O2 436.422000 |
OPHBGODQXKELTE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389243; PubChem:CID25174496
|
Local ready
Direct docking supported
|
|
E3L054879
BDB054879
|
BDBM50389244
Nc1n[nH]c2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
|
C22H19FN6O2 418.432000 |
OBLJYGNLZAQGGQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389244; PubChem:CID66721774
|
Local ready
Direct docking supported
|
|
E3L054880
BDB054880
|
BDBM50389245
Cn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)cccc21
|
C23H21FN6O2 432.459000 |
FLYCRDMYTAJQRM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389245; PubChem:CID25175326
|
Local ready
Direct docking supported
|