| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000121
BDB000121
|
BDBM12105
CC(C)(C)c1ccc(C(=O)Nc2[nH]nc3c2CN(C(=O)Cc2ccccc2)C3)cc1
|
C24H26N4O2 402.498000 |
OEXOAONFGZUXSU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12105; PubChem:CID10111728
|
Local ready
Direct docking supported
|
|
E3L000122
BDB000122
|
1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole 14
CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C(C)(C)C)cc3)c2C1
|
C27H33N5O2 459.594000 |
UCRPVICLPLVRAG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12106; PubChem:CID11167062
|
Local ready
Direct docking supported
|
|
E3L000123
BDB000123
|
BDBM12107
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)Cc3cccs3)C4)cc2)CC1
|
C23H26N6O2S 450.568000 |
BMCKWRUTJXVUFF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12107; PubChem:CID11751305
|
Local ready
Direct docking supported
|
|
E3L000124
BDB000124
|
BDBM12108
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)c3ccco3)C4)cc2)CC1
|
C22H24N6O3 420.473000 |
CGKGJGLHSCEWHJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12108; PubChem:CID11384622
|
Local ready
Direct docking supported
|
|
E3L000125
BDB000125
|
BDBM12109
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)Cc3ccccc3)C4)cc2)CC1
|
C25H28N6O2 444.539000 |
LZTPJGBYVKLMTF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12109; PubChem:CID11305344
|
Local ready
Direct docking supported
|
|
E3L000126
BDB000126
|
Pha-680632
CCc1cccc(CC)c1NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1
|
C28H35N7O2 501.635000 |
OBWNXGOQPLDDPS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12110; PubChem:CID11249084
|
Local ready
Direct docking supported
|
|
E3L000127
BDB000127
|
Aurora Kinase Inhibitor II
COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
|
C23H20N4O3 400.438000 |
IMYVCWQAHSYYOO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12403; PubChem:CID6610278
|
Local ready
Direct docking supported
|
|
E3L000128
BDB000128
|
BDBM12405
COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)ncnc2cc1OCCCN1CCOCC1
|
C27H29N7O4 515.574000 |
LYDTZBUSUCDSRL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12405; PubChem:CID23646072
|
Local ready
Direct docking supported
|
|
E3L000129
BDB000129
|
BDBM12406
COc1cc2c(Nc3ncc(NC(=O)c4ccccc4)cn3)ncnc2cc1OCCCN1CCOCC1
|
C27H29N7O4 515.574000 |
UNJOGPMWYNVEAP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12406; PubChem:CID23646073
|
Local ready
Direct docking supported
|
|
E3L000130
BDB000130
|
BDBM12407
COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
|
C27H28ClN7O4 550.019000 |
AOXJOSBWMOJKHF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12407; PubChem:CID11519624
|
Local ready
Direct docking supported
|
|
E3L000131
BDB000131
|
BDBM12408
COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1
|
C27H27ClFN7O4 568.009000 |
OBJQXZRQUYWVJO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12408; PubChem:CID23646074
|
Local ready
Direct docking supported
|
|
E3L000132
BDB000132
|
BDBM12409
COc1cc2c(Nc3cnc(NC(=O)c4ccc(C)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
|
C28H30BrN7O4 608.497000 |
QMPOGHCAFNBWOI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12409; PubChem:CID23646075
|
Local ready
Direct docking supported
|
|
E3L000133
BDB000133
|
BDBM12410
CCc1ccc(C(=O)Nc2ncc(Nc3ncnc4cc(OCCCN5CCOCC5)c(OC)cc34)cn2)cc1
|
C29H33N7O4 543.628000 |
DBUXDQRKRMIKFT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12410; PubChem:CID23646076
|
Local ready
Direct docking supported
|
|
E3L000134
BDB000134
|
BDBM12411
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ncc(Nc3ncnc4cc(OCCCN5CCOCC5)c(OC)cc34)cn2)cc1
|
C33H42N8O6S 678.816000 |
WDUVZCKAMIREJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12411; PubChem:CID23644668
|
Local ready
Direct docking supported
|
|
E3L000135
BDB000135
|
BDBM12412
COc1cc2c(Nc3cnc(NC(=O)c4ccncc4)nc3)ncnc2cc1OCCCN1CCOCC1
|
C26H28N8O4 516.562000 |
SQNAFOVAPUKUKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12412; PubChem:CID23646077
|
Local ready
Direct docking supported
|
|
E3L000136
BDB000136
|
BDBM12413
CCCCC(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1
|
C25H33N7O4 495.584000 |
NLEPHRGVMDOANV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12413; PubChem:CID23646078
|
Local ready
Direct docking supported
|
|
E3L000137
BDB000137
|
BDBM12621
COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N
|
C18H21F2N5O4S 441.460000 |
JRNJNYBQQYBCLE-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Aurora kinase A, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM12621; PubChem:CID6918852
|
Local ready
Direct docking supported
|
|
E3L000138
BDB000138
|
BDBM12982
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)[C@H](F)c3ccccc3)C4)cc2)CC1
|
C25H27FN6O2 462.529000 |
NYMXQEKCEGCXNT-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12982; PubChem:CID11994444
|
Local ready
Direct docking supported
|
|
E3L000139
BDB000139
|
BDBM12983
CN1CCN(c2ccc(C(=O)Nc3[nH]nc4c3CN(C(=O)[C@H](O)c3ccccc3)C4)cc2)CC1
|
C25H28N6O3 460.538000 |
KGHHVSJZWGWWDG-JOCHJYFZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12983; PubChem:CID11442557
|
Local ready
Direct docking supported
|
|
E3L000140
BDB000140
|
BDBM12984
C[C@@H](C(=O)N1Cc2n[nH]c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
|
C26H30N6O2 458.566000 |
CAQRLZFEWBTCCO-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM12984; PubChem:CID11487958
|
Local ready
Direct docking supported
|