| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031881
BDB031881
|
BDBM636085
CCOc1nc(C(=O)N(C)C)ccc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C28H28N6O4 512.570000 |
AEINMBOZWWDMIV-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636085; PubChem:CID166128561
|
Local ready
Direct docking supported
|
|
E3L031882
BDB031882
|
BDBM636086
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(N5CCCC5=O)nc4OC)n[nH]c3c1)C(=O)N2
|
C28H26N6O4 510.554000 |
FYDMEKZWCPHGNB-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636086; PubChem:CID166128985
|
Local ready
Direct docking supported
|
|
E3L031883
BDB031883
|
BDBM636087
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(S(=O)(=O)N5CCOCC5)ccc4OC)n[nH]c3c1)C(=O)N2
|
C29H29N5O6S 575.647000 |
UBVQCPMNFRCDKE-ZTOMLWHTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636087; PubChem:CID166129203
|
Local ready
Direct docking supported
|
|
E3L031884
BDB031884
|
BDBM636088
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nc5cccnc5cc4OC)n[nH]c3c1)C(=O)N2
|
C27H22N6O3 478.512000 |
VIJMQSQDODLIHT-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636088; PubChem:CID166128441
|
Local ready
Direct docking supported
|
|
E3L031885
BDB031885
|
BDBM636089
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N(C)OC)nc4OC)n[nH]c3c1)C(=O)N2
|
C27H26N6O5 514.542000 |
XIFWZYQJCXOJDM-MYUZEXMDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636089; PubChem:CID166129174
|
Local ready
Direct docking supported
|
|
E3L031886
BDB031886
|
BDBM636090
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)NNC(C)C)nc4OC)n[nH]c3c1)C(=O)N2
|
C28H29N7O4 527.585000 |
JCDAVUJUCMYZTJ-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636090; PubChem:CID166128901
|
Local ready
Direct docking supported
|
|
E3L031887
BDB031887
|
BDBM636091
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCCC5=O)cnc4OC)n[nH]c3c1)C(=O)N2
|
C28H26N6O4 510.554000 |
XMAKKZWVNRAEJH-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636091; PubChem:CID166128997
|
Local ready
Direct docking supported
|
|
E3L031888
BDB031888
|
BDBM636092
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(N5CCN(C)C5=O)cnc4OC)n[nH]c3c1)C(=O)N2
|
C28H27N7O4 525.569000 |
OJHSNQORDLYVBT-MMTVBGGISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636092; PubChem:CID166129422
|
Local ready
Direct docking supported
|
|
E3L031889
BDB031889
|
BDBM636093
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(S(=O)(=O)N(C)C)nc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N6O5S 534.598000 |
VSDZCJADMNPBKB-QYBDOPJKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636093; PubChem:CID166128473
|
Local ready
Direct docking supported
|
|
E3L031890
BDB031890
|
BDBM636094
CCOc1nc(S(=O)(=O)N(C)C)ccc1Nc1n[nH]c2cc([C@@H]3C[C@@]34C(=O)Nc3ccc(OC)cc34)ccc12
|
C27H28N6O5S 548.625000 |
AHLJZYGTUNNDAS-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636094; PubChem:CID166128721
|
Local ready
Direct docking supported
|
|
E3L031891
BDB031891
|
BDBM636095
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(S(=O)(=O)C5CCOCC5)ccc4OC)n[nH]c3c1)C(=O)N2
|
C30H30N4O6S 574.659000 |
PGNMXDGRKHMHGB-JHOBJCJYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636095; PubChem:CID166128438
|
Local ready
Direct docking supported
|
|
E3L031892
BDB031892
|
BDBM636096
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(P(C)(C)=O)cc4OC)n[nH]c3c1)C(=O)N2
|
C26H26N5O4P 503.499000 |
NMRCKNJQQSXYMX-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636096; PubChem:CID166128908
|
Local ready
Direct docking supported
|
|
E3L031893
BDB031893
|
BDBM636097
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(C(C)(C)O)cnc4OC)n[nH]c3c1)C(=O)N2
|
C27H27N5O4 485.544000 |
VZBGMEMXUGUDTE-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636097; PubChem:CID166129079
|
Local ready
Direct docking supported
|
|
E3L031894
BDB031894
|
BDBM636099
CCS(=O)(=O)c1cnc(Nc2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC)cc45)ccc23)c(OC)c1
|
C26H25N5O5S 519.583000 |
PIHRITDRJRTFQR-SIBVEZHUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636099; PubChem:CID166128664
|
Local ready
Direct docking supported
|
|
E3L031895
BDB031895
|
BDBM636100
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ncc(P(C)(C)=O)nc4OC)n[nH]c3c1)C(=O)N2
|
C25H25N6O4P 504.487000 |
APBKRCCIVNODKR-GKVSMKOHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636100; PubChem:CID166128764
|
Local ready
Direct docking supported
|
|
E3L031896
BDB031896
|
BDBM636101
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)NCC5CC5)nc4OC)n[nH]c3c1)C(=O)N2
|
C29H28N6O4 524.581000 |
YSAUMHGSYAMXPK-WRONEBCDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636101; PubChem:CID166128750
|
Local ready
Direct docking supported
|
|
E3L031897
BDB031897
|
BDBM636102
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)NC(C)C)nc4OC)n[nH]c3c1)C(=O)N2
|
C28H28N6O4 512.570000 |
JXPRLYUMECVOOZ-VKGTZQKMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636102; PubChem:CID166129179
|
Local ready
Direct docking supported
|
|
E3L031898
BDB031898
|
BDBM636103
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4ccc(C(=O)N5C6CCC5COC6)nc4OC)n[nH]c3c1)C(=O)N2
|
C31H30N6O5 566.618000 |
MMCKCGTUACUYFW-LQXFULSTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636103; PubChem:CID166128976
|
Local ready
Direct docking supported
|
|
E3L031899
BDB031899
|
BDBM636104
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4nn(C)c(=O)cc4OC)n[nH]c3c1)C(=O)N2
|
C24H22N6O4 458.478000 |
LYTYIKFSJLZITL-FYSMJZIKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636104; PubChem:CID166128583
|
Local ready
Direct docking supported
|
|
E3L031900
BDB031900
|
BDBM636105
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(Nc4cc(-c5ncco5)cnc4OC)n[nH]c3c1)C(=O)N2
|
C27H22N6O4 494.511000 |
YOLTVGAKLRHTHS-PPHZAIPVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM636105; PubChem:CID166128868
|
Local ready
Direct docking supported
|