| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017321
BDB017321
|
US9938257, Example 10
COc1ccc(-n2cc(Nc3ncc(Cl)c(NC4CC5CN(C(=O)CC#N)CC5C4)n3)cn2)cn1
|
C23H24ClN9O2 493.959000 |
YBOBJBRACZBMOB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387172; PubChem:CID126665287
|
Local ready
Direct docking supported
|
|
E3L017322
BDB017322
|
US9938257, Example 12
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(C(=O)CC5CC5)CC4C3)n2)cn1
|
C20H26ClN7O 415.929000 |
ZYFKXFWLDHAUDX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387174; PubChem:CID126665324
|
Local ready
Direct docking supported
|
|
E3L017323
BDB017323
|
US9938257, Example 13
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)C5CC5)CC4C3)n2)cn1
|
C18H24ClN7O2S 437.957000 |
DFGNABWLDWBSDN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387175; PubChem:CID126665364
|
Local ready
Direct docking supported
|
|
E3L017324
BDB017324
|
US9938257, Example 14
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(C(=O)C5CC5)CC4C3)n2)cn1
|
C19H24ClN7O 401.902000 |
ISOAXTYMKVNYLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387176; PubChem:CID126665322
|
Local ready
Direct docking supported
|
|
E3L017325
BDB017325
|
US9938257, Example 15
CCOC(=O)N1CC2CC(Nc3nc(Nc4cnn(C)c4)ncc3Cl)CC2C1
|
C18H24ClN7O2 405.890000 |
SBJRRILZYCCWJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387177; PubChem:CID126665305
|
Local ready
Direct docking supported
|
|
E3L017326
BDB017326
|
US9938257, Example 17
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)CC5CC5)CC4C3)n2)cn1
|
C19H26ClN7O2S 451.984000 |
QZGDJYDIMSWNOT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387179; PubChem:CID126665271
|
Local ready
Direct docking supported
|
|
E3L017327
BDB017327
|
US9938257, Example 18
CCNC(=O)N1CC2CC(Nc3nc(Nc4cnn(C)c4)ncc3Cl)CC2C1
|
C18H25ClN8O 404.906000 |
YHTMTLWBCNPEPE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387180; PubChem:CID126665327
|
Local ready
Direct docking supported
|
|
E3L017328
BDB017328
|
US9938257, Example 19
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(C(=O)NC5CC5)CC4C3)n2)cn1
|
C19H25ClN8O 416.917000 |
CAZDZVMSMCBBSO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387181; PubChem:CID126665340
|
Local ready
Direct docking supported
|
|
E3L017329
BDB017329
|
US9938257, Example 24
CCNS(=O)(=O)N1CC2CC(Nc3nc(Nc4cnn(C)c4)ncc3Cl)CC2C1
|
C17H25ClN8O2S 440.961000 |
NGEVHWVGFQLFEK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387182; PubChem:CID126665315
|
Local ready
Direct docking supported
|
|
E3L017330
BDB017330
|
US9938257, Example 31
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)C(C)(C)C)CC4C3)n2)cn1
|
C19H28ClN7O2S 454.000000 |
HUEYRDISNSWJHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387183; PubChem:CID126683102
|
Local ready
Direct docking supported
|
|
E3L017331
BDB017331
|
US9938257, Example 34
Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)NC5CC5)CC4C3)n2)cn1
|
C18H25ClN8O2S 452.972000 |
IBBZLXWCFCMCKF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387184; PubChem:CID126665351
|
Local ready
Direct docking supported
|
|
E3L017332
BDB017332
|
US9938257, Example 37
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(S(C)(=O)=O)CC4)n2)cn1
|
C22H34ClN7O3S 512.080000 |
XVAFGIDSNSLOJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387185; PubChem:CID126665359
|
Local ready
Direct docking supported
|
|
E3L017333
BDB017333
|
US9938257, Example 38
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(C)(=O)=O)CC4C3)n2)cn1
|
C18H26ClN7O3S 455.972000 |
NMKNRNXEPYFWSY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387186; PubChem:CID126665285
|
Local ready
Direct docking supported
|
|
E3L017334
BDB017334
|
US9938257, Example 39
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(C)(=O)=O)CC4C3)n2)cn1
|
C19H28ClN7O3S 469.999000 |
VMAMZHADUWRQFW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387187; PubChem:CID126665320
|
Local ready
Direct docking supported
|
|
E3L017335
BDB017335
|
US9938257, Example 40
O=C(NC1CC1)N1CC2CC(Nc3nc(Nc4cnn(C5CCNC5)c4)ncc3Cl)CC2C1
|
C22H30ClN9O 471.997000 |
CELOWKDOJZVEPE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387188; PubChem:CID126665326
|
Local ready
Direct docking supported
|
|
E3L017336
BDB017336
|
US9938257, Example 41
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(C(=O)NC5CC5)CC4C3)n2)cn1
|
C21H29ClN8O2 460.970000 |
VINDCRMTKZGIAF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387189; PubChem:CID126665318
|
Local ready
Direct docking supported
|
|
E3L017337
BDB017337
|
US9938257, Example 43
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)NC5CC5)CC4C3)n2)cn1
|
C21H31ClN8O3S 511.052000 |
VBRVXGOYKOISKC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387190; PubChem:CID126665291
|
Local ready
Direct docking supported
|
|
E3L017338
BDB017338
|
US9938257, Example 44
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)C5CC5)CC4C3)n2)cn1
|
C20H28ClN7O3S 482.010000 |
XMSFPGDGANKHJW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387191; PubChem:CID126665329
|
Local ready
Direct docking supported
|
|
E3L017339
BDB017339
|
US9938257, Example 45
CCNS(=O)(=O)N1CC2CC(Nc3nc(Nc4cnn(CC(C)O)c4)ncc3Cl)CC2C1
|
C19H29ClN8O3S 485.014000 |
NRTFVVVPFDOHFK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387192; PubChem:CID126665313
|
Local ready
Direct docking supported
|
|
E3L017340
BDB017340
|
US9938257, Example 46
CC(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(S(=O)(=O)CC5CC5)CC4C3)n2)cn1
|
C21H30ClN7O3S 496.037000 |
NNQPYKAOGXIZBP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387193; PubChem:CID126665365
|
Local ready
Direct docking supported
|