| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017341
BDB017341
|
US9938257, Example 47
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)NC5CC5)CC4C3)n2)cn1
|
C20H29ClN8O3S 497.025000 |
GTWKARFQAYQPGO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387194; PubChem:CID126665303
|
Local ready
Direct docking supported
|
|
E3L017342
BDB017342
|
BDBM387195
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)c5c(c34)CCCC5)cc2)c1
|
C33H34N6O3 562.674000 |
WOXAGWCPBCMTSR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387195; PubChem:CID58564252
|
Local ready
Direct docking supported
|
|
E3L017343
BDB017343
|
BDBM387197
O=C(c1cccn(-c2ccc(F)cc2)c1=O)N1CCOc2cc(Oc3ccnc4[nH]c(=O)c5c(c34)CCCC5)ccc21
|
C32H25FN4O5 564.573000 |
RSIUBFJHQIJBIQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387197; PubChem:CID58564238
|
Local ready
Direct docking supported
|
|
E3L017344
BDB017344
|
BDBM387198
O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1cccn(-c2ccc(F)cc2)c1=O
|
C30H23FN4O4 522.536000 |
DLHUWEHGSBIDBV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387198; PubChem:CID58564248
|
Local ready
Direct docking supported
|
|
E3L017345
BDB017345
|
BDBM387203
O=c1[nH]c2nccc(Oc3ccc4c(c3)OCCN4)c2c2c1CCCC2
|
C20H19N3O3 349.390000 |
NRRYULIIACYLDV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387203; PubChem:CID67425401
|
Local ready
Direct docking supported
|
|
E3L017346
BDB017346
|
BDBM387204
Nc1ccc(Oc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1
|
C18H17N3O2 307.353000 |
WVRGHMFRCUZEJB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387204; PubChem:CID58564266
|
Local ready
Direct docking supported
|
|
E3L017347
BDB017347
|
BDBM387205
O=c1[nH]c2nccc(Cl)c2c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc12
|
C28H19ClN4O 462.940000 |
CLFYTABSRQFXOA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387205; PubChem:CID58564235
|
Local ready
Direct docking supported
|
|
E3L017348
BDB017348
|
BDBM387206
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4n[nH]cc4c23)cc1)c1ccc(F)cc1C(F)(F)F
|
C23H14F4N6O2 482.397000 |
XZHSJCWSRLXWDA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387206; PubChem:CID46700752
|
Local ready
Direct docking supported
|
|
E3L017349
BDB017349
|
BDBM387207
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4n[nH]cc4c23)cc1)c1ccccc1
|
C22H16N6O2 396.410000 |
VYEGWHUFVBJVGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387207; PubChem:CID58564268
|
Local ready
Direct docking supported
|
|
E3L017350
BDB017350
|
BDBM387209
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCNC4)cc1)c1ccc(F)cc1
|
C24H20FN5O2 429.455000 |
HRHFKPSRTWXUSO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387209; PubChem:CID58564267
|
Local ready
Direct docking supported
|
|
E3L017351
BDB017351
|
BDBM387210
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCNC4)cc1)c1ccc(F)c(F)c1
|
C24H19F2N5O2 447.445000 |
SSJNXTGCPUCMAN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387210; PubChem:CID58564251
|
Local ready
Direct docking supported
|
|
E3L017352
BDB017352
|
BDBM387211
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCNC4)cc1)c1ccccc1
|
C24H21N5O2 411.465000 |
DCHZFESTRBTTRY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387211; PubChem:CID58564244
|
Local ready
Direct docking supported
|
|
E3L017353
BDB017353
|
BDBM387212
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CNCC4)cc1)c1ccccc1
|
C24H21N5O2 411.465000 |
FUGQTLKURWLXAH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387212; PubChem:CID70870880
|
Local ready
Direct docking supported
|
|
E3L017354
BDB017354
|
BDBM387213
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCNC4)cc1)c1ccc(F)cc1C(F)(F)F
|
C25H19F4N5O2 497.452000 |
LSALKUPDTIXZJU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387213; PubChem:CID58564237
|
Local ready
Direct docking supported
|
|
E3L017355
BDB017355
|
BDBM387214
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1cc(Cl)cc(Cl)c1
|
C25H20Cl2N4O2 479.367000 |
YBTUJXMANUPDIR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387214; PubChem:CID58564264
|
Local ready
Direct docking supported
|
|
E3L017356
BDB017356
|
BDBM387215
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1c(Cl)cccc1Cl
|
C25H20Cl2N4O2 479.367000 |
SSCHBDIZHCXFNV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387215; PubChem:CID58564253
|
Local ready
Direct docking supported
|
|
E3L017357
BDB017357
|
BDBM387216
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1cccc(C(F)(F)F)c1F
|
C26H20F4N4O2 496.464000 |
KVSQFHQIORLIBZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387216; PubChem:CID58564255
|
Local ready
Direct docking supported
|
|
E3L017358
BDB017358
|
BDBM387217
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1ccc(F)cc1
|
C25H21FN4O2 428.467000 |
BYYUEFKFJDHKDP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387217; PubChem:CID58564221
|
Local ready
Direct docking supported
|
|
E3L017359
BDB017359
|
BDBM387218
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1cc(F)cc(F)c1
|
C25H20F2N4O2 446.457000 |
YBQZHUDVMDKFPO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387218; PubChem:CID58564246
|
Local ready
Direct docking supported
|
|
E3L017360
BDB017360
|
BDBM387219
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1ccc(F)c(F)c1
|
C25H20F2N4O2 446.457000 |
RAEOYQVVFBGIHU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387219; PubChem:CID58564260
|
Local ready
Direct docking supported
|