| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052721
BDB052721
|
BDBM50327919
CCNC(=O)c1cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1
|
C20H24N6O2S 412.519000 |
DZGPQCOEPODXIA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327919; PubChem:CID11846199
|
Local ready
Direct docking supported
|
|
E3L052722
BDB052722
|
BDBM50327920
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4cc(C(=O)NC5CCCc6ccccc65)sc34)cc2)CC1
|
C28H30N6O2S 514.655000 |
VVVVEPWMNMVUNM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327920; PubChem:CID11846876
|
Local ready
Direct docking supported
|
|
E3L052723
BDB052723
|
BDBM50327921
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4cc(C(=O)NC(C)(C)c5ccccc5)sc34)cc2)CC1
|
C27H30N6O2S 502.644000 |
QIGJOQOWNHWWPX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327921; PubChem:CID52948987
|
Local ready
Direct docking supported
|
|
E3L052724
BDB052724
|
BDBM50327922
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4cc(C(=O)NCc5ccccc5)sc34)cc2)CC1
|
C25H26N6O2S 474.590000 |
PNCYEXRWXPIGPC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327922; PubChem:CID11846197
|
Local ready
Direct docking supported
|
|
E3L052725
BDB052725
|
BDBM50327923
CC[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1)c1ccccc1
|
C27H30N6O2S 502.644000 |
BGKRQXRINOKEMF-NRFANRHFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327923; PubChem:CID11846877
|
Local ready
Direct docking supported
|
|
E3L052726
BDB052726
|
BDBM50327924
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4cc(C(=O)N[C@H](CN5CCCC5)c5ccccc5)sc34)cc2)CC1
|
C30H35N7O2S 557.724000 |
CVFGOMDPOQIAPD-RUZDIDTESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327924; PubChem:CID11847344
|
Local ready
Direct docking supported
|
|
E3L052727
BDB052727
|
BDBM50327925
O=C(Nc1[nH]nc2cc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1
|
C29H32N6O4S 560.680000 |
IIYYQOZHFJZHJP-XMMPIXPASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327925; PubChem:CID11847342
|
Local ready
Direct docking supported
|
|
E3L052728
BDB052728
|
BDBM50327926
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4cc(C(=O)N[C@H](CN5CCOCC5)c5ccccc5)sc34)cc2)CC1
|
C30H35N7O3S 573.723000 |
APULUFKDCXQRIE-RUZDIDTESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327926; PubChem:CID52946403
|
Local ready
Direct docking supported
|
|
E3L052729
BDB052729
|
BDBM50327927
O=C(Nc1[nH]nc2cc(C(=O)NCc3ccccc3)sc12)c1ccc(N2CCOCC2)cc1
|
C24H23N5O3S 461.547000 |
ALRLAFCAGBGISV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327927; PubChem:CID11847026
|
Local ready
Direct docking supported
|
|
E3L052730
BDB052730
|
BDBM50327928
CC[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1)c1ccccc1
|
C27H30N6O2S 502.644000 |
BGKRQXRINOKEMF-OAQYLSRUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327928; PubChem:CID11846878
|
Local ready
Direct docking supported
|
|
E3L052731
BDB052731
|
BDBM50327929
C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1)c1ccccc1
|
C26H28N6O2S 488.617000 |
YTKKDDPGXMBSNV-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327929; PubChem:CID11846701
|
Local ready
Direct docking supported
|
|
E3L052732
BDB052732
|
BDBM50327930
C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(N4CCOCC4)cc3)c2s1)c1ccccc1
|
C25H25N5O3S 475.574000 |
IUPILHVNVACNFX-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50327930; PubChem:CID11847027
|
Local ready
Direct docking supported
|
|
E3L052733
BDB052733
|
N-phenyl-6-(pyridin-3-yl)imidazo[1,2-a]pyrazin-8-amine
c1ccc(Nc2nc(-c3cccnc3)cn3ccnc23)cc1
|
C17H13N5 287.326000 |
CNGRDQUSESKDGD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328420; PubChem:CID52943688
|
Local ready
Direct docking supported
|
|
E3L052734
BDB052734
|
BDBM50328421
c1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
|
C21H20N6O 372.432000 |
LWJMCULJBXAFKP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328421; PubChem:CID10177287
|
Local ready
Direct docking supported
|
|
E3L052735
BDB052735
|
BDBM50328422
COc1ccc(Nc2nc(-c3cccnc3)cn3ccnc23)cc1
|
C18H15N5O 317.352000 |
LNJAISXLOWYEFZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328422; PubChem:CID52944937
|
Local ready
Direct docking supported
|
|
E3L052736
BDB052736
|
BDBM50328423
Clc1ccc(Nc2nc(-c3cccnc3)cn3ccnc23)cc1
|
C17H12ClN5 321.771000 |
IKAPVCFGONZETI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328423; PubChem:CID52950167
|
Local ready
Direct docking supported
|
|
E3L052737
BDB052737
|
BDBM50328424
CC(=O)Nc1ccc(Nc2nc(-c3cccnc3)cn3ccnc23)cc1
|
C19H16N6O 344.378000 |
XLKXEELDJVQEMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328424; PubChem:CID52944938
|
Local ready
Direct docking supported
|
|
E3L052738
BDB052738
|
BDBM50328425
O=C(Nc1ccc(Nc2nc(-c3cccnc3)cn3ccnc23)cc1)c1ccccc1
|
C24H18N6O 406.449000 |
TUVOCSLEDZZBSS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328425; PubChem:CID52943772
|
Local ready
Direct docking supported
|
|
E3L052739
BDB052739
|
BDBM50328426
COc1ccc(Nc2nc(-c3ccn(C)n3)cn3ccnc23)cc1
|
C17H16N6O 320.356000 |
QSLPGSHFQOUVJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328426; PubChem:CID52945317
|
Local ready
Direct docking supported
|
|
E3L052740
BDB052740
|
BDBM50328427
COc1ccc(Nc2nc(-c3cccc(N)c3)cn3ccnc23)cc1
|
C19H17N5O 331.379000 |
CZCFVUASEDHTAW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50328427; PubChem:CID52949491
|
Local ready
Direct docking supported
|