| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058121
BDB058121
|
BDBM50503354
NS(=O)(=O)c1ccc(Nc2ncn(C(=O)c3c(F)cccc3F)n2)cc1
|
C15H11F2N5O3S 379.348000 |
HTFSQZHIWGSTMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503354; PubChem:CID141143841
|
Local ready
Direct docking supported
|
|
E3L058122
BDB058122
|
BDBM50503400
C=CCCn1cc(-c2cccc(C(=O)N3CCCC3)c2)c2cc[nH]c2c1=O
|
C22H23N3O2 361.445000 |
XQHRNYHJMOIHEB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50503400; PubChem:CID155540785
|
Local ready
Direct docking supported
|
|
E3L058123
BDB058123
|
BDBM50503401
C=CCCn1cc(-c2cccc(C(=O)N3CCN(CCO)CC3)c2)c2cc[nH]c2c1=O
|
C24H28N4O3 420.513000 |
BIWUSHWRFMMMGV-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50503401; PubChem:CID155534567
|
Local ready
Direct docking supported
|
|
E3L058124
BDB058124
|
BDBM50503402
C=CCCn1cc(-c2cccc(C(=O)N(CC)CC)c2)c2cc[nH]c2c1=O
|
C22H25N3O2 363.461000 |
WEIQLZUSEUMRIG-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50503402; PubChem:CID155532286
|
Local ready
Direct docking supported
|
|
E3L058125
BDB058125
|
BDBM50503403
C=CCCn1cc(-c2cccc(C(=O)N3CCOCC3)c2)c2cc[nH]c2c1=O
|
C22H23N3O3 377.444000 |
SMABWKWHQKFGDR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50503403; PubChem:CID134821995
|
Local ready
Direct docking supported
|
|
E3L058126
BDB058126
|
BDBM50503405
C=CCCn1cc(-c2cccc(C(=O)N(C)C3CCCCC3)c2)c2cc[nH]c2c1=O
|
C25H29N3O2 403.526000 |
SDVGDLDABOUUIN-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50503405; PubChem:CID155541456
|
Local ready
Direct docking supported
|
|
E3L058127
BDB058127
|
BDBM50503410
C=CCCn1cc(-c2cccc(C(=O)N3CCN(C)CC3)c2)c2cc[nH]c2c1=O
|
C23H26N4O2 390.487000 |
CMTGUEFAXALUTH-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50503410; PubChem:CID155564453
|
Local ready
Direct docking supported
|
|
E3L058128
BDB058128
|
BDBM50503737
CC1(C)CC(NC(=O)c2ccc(Nc3ncc(Br)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1O
|
C26H30BrClN6O2 573.923000 |
COMSYOFZTVGRRK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503737; PubChem:CID172037857
|
Local ready
Direct docking supported
|
|
E3L058129
BDB058129
|
BDBM50503738
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC(C)(C)N1O
|
C33H35ClN8O5 659.147000 |
LPSBYKLLJOVSHM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503738; PubChem:CID172050478
|
Local ready
Direct docking supported
|
|
E3L058130
BDB058130
|
BDBM50503739
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4cccc(Cl)c4)n3)cc2)CC(C)(C)N1O
|
C26H30ClN7O4 540.024000 |
QXNNCHKUKMPZRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503739; PubChem:CID172052160
|
Local ready
Direct docking supported
|
|
E3L058131
BDB058131
|
BDBM50503740
CC1(C)CC(NC(=O)c2ccc(Nc3ncc(F)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1O
|
C26H30ClFN6O2 513.017000 |
RQMCICOFYAOUFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503740; PubChem:CID172051564
|
Local ready
Direct docking supported
|
|
E3L058132
BDB058132
|
BDBM50503741
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc(Cl)cc4)n3)cc2)CC(C)(C)N1O
|
C26H30ClN7O4 540.024000 |
KMFBAJNOTSSVEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503741; PubChem:CID172050666
|
Local ready
Direct docking supported
|
|
E3L058133
BDB058133
|
BDBM50503742
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccccc4O)n3)cc2)CC(C)(C)N1O
|
C26H31N7O5 521.578000 |
VBWCCTREXYTDOA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503742; PubChem:CID172039620
|
Local ready
Direct docking supported
|
|
E3L058134
BDB058134
|
BDBM50503743
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc(O)cc4)n3)cc2)CC(C)(C)N1O
|
C26H31N7O5 521.578000 |
GEQPKDUYCDTQRY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503743; PubChem:CID172051094
|
Local ready
Direct docking supported
|
|
E3L058135
BDB058135
|
BDBM50503744
CC1(C)CC(NC(=O)c2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC(C)(C)N1O
|
C33H35ClFN7O3 632.140000 |
LCHBJUVGCMYUMC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503744; PubChem:CID172042720
|
Local ready
Direct docking supported
|
|
E3L058136
BDB058136
|
BDBM50503745
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc(C(=O)Nc5cccc(Cl)c5)cc4)n3)cc2)CC(C)(C)N1O
|
C33H35ClN8O5 659.147000 |
RGXAJUCULIIOCG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503745; PubChem:CID172036719
|
Local ready
Direct docking supported
|
|
E3L058137
BDB058137
|
BDBM50503746
CN1CCC(NC(=O)c2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1
|
C30H29ClFN7O2 574.060000 |
SDEWZAPYGJGVJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503746; PubChem:CID155545018
|
Local ready
Direct docking supported
|
|
E3L058138
BDB058138
|
BDBM50503747
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1O
|
C26H30ClN7O4 540.024000 |
IMDKLXHGHQNHPQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503747; PubChem:CID172039315
|
Local ready
Direct docking supported
|
|
E3L058139
BDB058139
|
BDBM50503748
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4cccc(O)c4)n3)cc2)CC(C)(C)N1O
|
C26H31N7O5 521.578000 |
FCZJOUALYCXWEB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503748; PubChem:CID172050446
|
Local ready
Direct docking supported
|
|
E3L058140
BDB058140
|
BDBM50503749
CC1(C)CC(NC(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1O
|
C26H30Cl2N6O2 529.472000 |
ZYCYNVIAJAEECH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503749; PubChem:CID172052126
|
Local ready
Direct docking supported
|