| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056581
BDB056581
|
BDBM50446439
COc1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1OC
|
C18H17N5O2 335.367000 |
UIEXDKQSWATHMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446439; PubChem:CID68291131
|
Local ready
Direct docking supported
|
|
E3L056582
BDB056582
|
BDBM50446440
Cn1cc(-c2cc3cnc(Nc4ccc(-c5ccn(C)n5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C26H26ClN7O2 503.994000 |
PLJIZPYKRYXSQS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446440; PubChem:CID66547597
|
Local ready
Direct docking supported
|
|
E3L056583
BDB056583
|
BDBM50446441
c1cnn(Cc2ccc(Nc3cc4[nH]c(-c5cn[nH]c5)cc4cn3)cc2)c1
|
C20H17N7 355.405000 |
XSJWROYTYXTZKU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446441; PubChem:CID68291007
|
Local ready
Direct docking supported
|
|
E3L056584
BDB056584
|
BDBM50446442
CN(C)S(=O)(=O)c1ccc(Nc2cc3[nH]c(-c4cn[nH]c4)cc3cn2)cc1
|
C18H18N6O2S 382.449000 |
IIBNWMLKRSXDKD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446442; PubChem:CID66548849
|
Local ready
Direct docking supported
|
|
E3L056585
BDB056585
|
BDBM50446443
Cn1cc(-c2cc3cnc(Nc4ccc(C(=O)N5CCC5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C26H27ClN6O3 506.994000 |
JQPIFTKCYKIRJS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446443; PubChem:CID68291016
|
Local ready
Direct docking supported
|
|
E3L056586
BDB056586
|
BDBM50446444
COC1CCN(C(=O)c2ccc(Nc3cc4c(cn3)cc(-c3cnn(C)c3)n4C(=O)OC(C)(C)C)c(Cl)c2)CC1
|
C29H33ClN6O4 565.074000 |
LJGCEOUKEIDVHD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446444; PubChem:CID68310582
|
Local ready
Direct docking supported
|
|
E3L056587
BDB056587
|
BDBM50446445
COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2c(n1)n(C1CCCC1)c(=O)n2C
|
C24H32N6O3 452.559000 |
YUKWVHPTFRQHMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446445; PubChem:CID56973724
|
Local ready
Direct docking supported
|
|
E3L056588
BDB056588
|
BDBM50446446
Cn1cc(-c2cc3cnc(Nc4ccc(-c5cccnc5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C27H25ClN6O2 500.990000 |
CCJHTJYOPQJKJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446446; PubChem:CID66546905
|
Local ready
Direct docking supported
|
|
E3L056589
BDB056589
|
BDBM50446447
Cn1cc(-c2cc3cnc(Nc4ccc(-c5cnccn5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C26H24ClN7O2 501.978000 |
TUKCLIMEDFTTCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446447; PubChem:CID76335737
|
Local ready
Direct docking supported
|
|
E3L056590
BDB056590
|
BDBM50446448
Cn1cc(-c2cc3cnc(Nc4ccc(-c5cnco5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C25H23ClN6O3 490.951000 |
OYORONOSHXMKGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446448; PubChem:CID66546721
|
Local ready
Direct docking supported
|
|
E3L056591
BDB056591
|
BDBM50446449
Cn1cc(-c2cc3cnc(Nc4ccc(-c5cncnc5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C26H24ClN7O2 501.978000 |
SRPAEINPWYARFL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446449; PubChem:CID76335738
|
Local ready
Direct docking supported
|
|
E3L056592
BDB056592
|
BDBM50446450
Cn1cc(-c2ccc(Nc3cc4c(cn3)cc(-c3cnn(C)c3)n4C(=O)OC(C)(C)C)c(Cl)c2)cn1
|
C26H26ClN7O2 503.994000 |
ZXWNDEWENQIUSD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446450; PubChem:CID76313983
|
Local ready
Direct docking supported
|
|
E3L056593
BDB056593
|
Cct251455
Cn1cc(-c2cc3cnc(Nc4ccc(-c5cncn5C)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C26H26ClN7O2 503.994000 |
BXKNUXDLZJPPBO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446451; PubChem:CID66547425
|
Local ready
Direct docking supported
|
|
E3L056594
BDB056594
|
BDBM50446452
COc1ccccc1Nc1cc2[nH]c(-c3cnn(C)c3C)cc2cn1
|
C19H19N5O 333.395000 |
XTEITABXQWKBCO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446452; PubChem:CID76313985
|
Local ready
Direct docking supported
|
|
E3L056595
BDB056595
|
BDBM50446453
CN(C)S(=O)(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C(=O)OC(C)(C)C)c(Cl)c1
|
C24H27ClN6O4S 531.038000 |
MRBRINFRDVMILA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446453; PubChem:CID66548460
|
Local ready
Direct docking supported
|
|
E3L056596
BDB056596
|
BDBM50446454
COc1ccccc1Nc1cc2[nH]c(-c3cnn(C(F)F)c3)cc2cn1
|
C18H15F2N5O 355.348000 |
UNVSMSCAFUYXNO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446454; PubChem:CID66548653
|
Local ready
Direct docking supported
|
|
E3L056597
BDB056597
|
BDBM50446455
COc1ccccc1Nc1cc2[nH]c(-c3cnn(CC(F)(F)F)c3)cc2cn1
|
C19H16F3N5O 387.365000 |
XVXDUWJDAATNHT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446455; PubChem:CID66548650
|
Local ready
Direct docking supported
|
|
E3L056598
BDB056598
|
BDBM50446456
COc1ccc(C(F)(F)F)cc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1
|
C19H16F3N5O 387.365000 |
WDWGMDGUGGLWHZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446456; PubChem:CID76317532
|
Local ready
Direct docking supported
|
|
E3L056599
BDB056599
|
BDBM50446457
Cn1cc(-c2cc3cnc(Nc4ccccc4Cl)cc3[nH]2)cn1
|
C17H14ClN5 323.787000 |
PWUBQFAXBPLSTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446457; PubChem:CID68291448
|
Local ready
Direct docking supported
|
|
E3L056600
BDB056600
|
BDBM50446458
COc1ccccc1Nc1cc2[nH]c(-c3cnn(C)c3)cc2cn1
|
C18H17N5O 319.368000 |
VZCBKNMEUYMJGG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446458; PubChem:CID68290919
|
Local ready
Direct docking supported
|