| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051201
BDB051201
|
BDBM50293681
Cc1cc(Nc2nc(Sc3c(Cl)cccc3Cl)nc3ccccc23)[nH]n1
|
C18H13Cl2N5S 402.310000 |
GYZHPLHOIMYBJI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293681; PubChem:CID10111694
|
Local ready
Direct docking supported
|
|
E3L051202
BDB051202
|
BDBM50293682
Cc1cc(Nc2nc(Sc3ccc(Cl)c(Cl)c3)nc3ccccc23)[nH]n1
|
C18H13Cl2N5S 402.310000 |
DXMLBGPNBMGQFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293682; PubChem:CID10157920
|
Local ready
Direct docking supported
|
|
E3L051203
BDB051203
|
BDBM50293683
COc1ccccc1Sc1nc(Nc2cc(C)n[nH]2)c2ccccc2n1
|
C19H17N5OS 363.446000 |
CWQTZVUENDFTLF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293683; PubChem:CID10292186
|
Local ready
Direct docking supported
|
|
E3L051204
BDB051204
|
BDBM50293684
COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
|
C19H17N5OS 363.446000 |
KJVHTJKPBZOBPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293684; PubChem:CID9925230
|
Local ready
Direct docking supported
|
|
E3L051205
BDB051205
|
BDBM50293685
COc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1OC
|
C20H19N5O2S 393.472000 |
LPIMYXVAEGCNPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293685; PubChem:CID21991073
|
Local ready
Direct docking supported
|
|
E3L051206
BDB051206
|
BDBM50293686
Cc1cc(Nc2nc(Sc3ccc4ccccc4c3)nc3ccccc23)[nH]n1
|
C22H17N5S 383.480000 |
PNPJKSYXKMALSP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293686; PubChem:CID10134576
|
Local ready
Direct docking supported
|
|
E3L051207
BDB051207
|
BDBM50293687
Cc1cc(Nc2nc(Sc3ccc(NS(C)(=O)=O)cc3)nc3ccccc23)[nH]n1
|
C19H18N6O2S2 426.527000 |
XUAORJVHYWCADO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293687; PubChem:CID10159519
|
Local ready
Direct docking supported
|
|
E3L051208
BDB051208
|
BDBM50293688
Cc1cc(Nc2nc(Sc3ccc(NC(=O)OC(C)(C)C)cc3)nc3ccccc23)[nH]n1
|
C23H24N6O2S 448.552000 |
VAKWGLDYQAWDPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293688; PubChem:CID10182284
|
Local ready
Direct docking supported
|
|
E3L051209
BDB051209
|
BDBM50293689
CC(=O)N(C)c1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
|
C21H20N6OS 404.499000 |
AHFWDQSNXFITEU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293689; PubChem:CID45271266
|
Local ready
Direct docking supported
|
|
E3L051210
BDB051210
|
BDBM50293690
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
|
C21H20N6OS 404.499000 |
ATUGFOWGVANOHQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293690; PubChem:CID10179373
|
Local ready
Direct docking supported
|
|
E3L051211
BDB051211
|
BDBM50293691
CC(=O)Nc1ccc(Sc2nccc(Nc3cc(C)n[nH]3)n2)cc1
|
C16H16N6OS 340.412000 |
BGNRYQCGVJJPRI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293691; PubChem:CID9924047
|
Local ready
Direct docking supported
|
|
E3L051212
BDB051212
|
BDBM50293692
CC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
|
C17H18N6OS 354.439000 |
ASOKHEVFZLQTPE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293692; PubChem:CID45267893
|
Local ready
Direct docking supported
|
|
E3L051213
BDB051213
|
BDBM50293693
CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)n2)cc1
|
C22H20N6OS 416.510000 |
ZUOHNZIRNKHHJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293693; PubChem:CID10273410
|
Local ready
Direct docking supported
|
|
E3L051214
BDB051214
|
BDBM50293694
CCC(=O)Nc1ccc(Sc2nc(C)cc(Nc3cc(C)n[nH]3)n2)cc1
|
C18H20N6OS 368.466000 |
NHMACPMXYHTADL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293694; PubChem:CID20604194
|
Local ready
Direct docking supported
|
|
E3L051215
BDB051215
|
BDBM50293695
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C3CC3)n2)cc1
|
C20H22N6OS 394.504000 |
AGHMFEHJWZVACU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293695; PubChem:CID45269587
|
Local ready
Direct docking supported
|
|
E3L051216
BDB051216
|
BDBM50293696
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C(C)(C)C)n2)cc1
|
C21H26N6OS 410.547000 |
KMWZKNHCFZNBFL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293696; PubChem:CID23545854
|
Local ready
Direct docking supported
|
|
E3L051217
BDB051217
|
BDBM50293697
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3cccnc3)n2)cc1
|
C22H21N7OS 431.525000 |
GBXVVXZXFOFHSU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293697; PubChem:CID45272990
|
Local ready
Direct docking supported
|
|
E3L051218
BDB051218
|
BDBM50293698
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCC3)n2)cc1
|
C20H23N7OS 409.519000 |
LEWVUPUKJSFGLR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293698; PubChem:CID16719269
|
Local ready
Direct docking supported
|
|
E3L051219
BDB051219
|
BDBM50293699
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)n2)cc1
|
C23H22N6OS 430.537000 |
FNBGPMNXEGPANM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293699; PubChem:CID10113529
|
Local ready
Direct docking supported
|
|
E3L051220
BDB051220
|
BDBM50293700
CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccncc3)n2)cc1
|
C22H21N7OS 431.525000 |
PGYJINWZLJSDIT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293700; PubChem:CID45266961
|
Local ready
Direct docking supported
|