| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054681
BDB054681
|
BDBM50384006
Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(O)cc2o1
|
C20H20N6O2 376.420000 |
JPWGMNSPCZZICA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384006; PubChem:CID44256410
|
Local ready
Direct docking supported
|
|
E3L054682
BDB054682
|
3H,4H-thieno[3,2-d]pyrimidin-4-one
O=c1[nH]cnc2ccsc12
|
C6H4N2OS 152.178000 |
PZMKGWRBZNOIPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50384077; PubChem:CID135417422
|
Local ready
Direct docking supported
|
|
E3L054683
BDB054683
|
BDBM50384165
CN1CCN(C(=O)c2cc(Nc3ncc4cc(-c5cnco5)n(C5CCCC5)c4n3)cn2C)CC1
|
C25H30N8O2 474.569000 |
PSWIPMICOQJHRP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384165; PubChem:CID70689940
|
Local ready
Direct docking supported
|
|
E3L054684
BDB054684
|
BDBM50384166
CN1CCN(C(=O)c2cc(Nc3ncc4cc(-c5cnn(C)c5)n(C5CCCC5)c4n3)cn2C)CC1
|
C26H33N9O 487.612000 |
WKKLEERAKHQFTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384166; PubChem:CID70683641
|
Local ready
Direct docking supported
|
|
E3L054685
BDB054685
|
BDBM50384167
CN1CCN(C(=O)c2cc(Nc3ncc4cc(-c5cncn5C)n(C5CCCC5)c4n3)cn2C)CC1
|
C26H33N9O 487.612000 |
SYZBPKURKLVKGY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384167; PubChem:CID70683642
|
Local ready
Direct docking supported
|
|
E3L054686
BDB054686
|
BDBM50384168
Cc1c(-c2cc3cnc(Nc4cc(C(=O)N5CCN(C)CC5)n(C)c4)nc3n2C2CCCC2)cnn1C
|
C27H35N9O 501.639000 |
HCDXOVUMIOIELK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384168; PubChem:CID70689941
|
Local ready
Direct docking supported
|
|
E3L054687
BDB054687
|
BDBM50384169
CC(C)CCn1cc(-c2cc3cnc(Nc4cc(C(=O)N5CCN(C)CC5)n(C)c4)nc3n2C2CCCC2)cn1
|
C30H41N9O 543.720000 |
LLSACPYCBRAUIJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384169; PubChem:CID70696270
|
Local ready
Direct docking supported
|
|
E3L054688
BDB054688
|
BDBM50384170
CN1CCN(C(=O)c2cc(Nc3ncc4cc(-c5ccnn5C)n(C5CCCC5)c4n3)cn2C)CC1
|
C26H33N9O 487.612000 |
NDJAPUTXCKBOMQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384170; PubChem:CID70685779
|
Local ready
Direct docking supported
|
|
E3L054689
BDB054689
|
BDBM50384171
CN1CCN(C(=O)c2cc(Nc3ncc4cc(-c5cnn(Cc6ccccc6)c5)n(C5CCCC5)c4n3)cn2C)CC1
|
C32H37N9O 563.710000 |
ZNZJOKVVRNTGRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384171; PubChem:CID66560844
|
Local ready
Direct docking supported
|
|
E3L054690
BDB054690
|
BDBM50384172
CN1CCN(C(=O)c2cc(Nc3ncc4cc(CN=O)n(C5CCCC5)c4n3)cn2C)CC1
|
C23H30N8O2 450.547000 |
QURBHJPQZDAPGP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384172; PubChem:CID91929889
|
Local ready
Direct docking supported
|
|
E3L054691
BDB054691
|
BDBM50384173
CN1CCN(C(=O)c2cc(Nc3ncc4cc(C#N)n(C5CCCC5)c4n3)cn2C)CC1
|
C23H28N8O 432.532000 |
QJOLFMLQXIPTTF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384173; PubChem:CID70692098
|
Local ready
Direct docking supported
|
|
E3L054692
BDB054692
|
BDBM50384174
CN1CCN(C(=O)c2cc(Nc3ncc4ccn(C5CCCC5)c4n3)cn2C)CC1
|
C22H29N7O 407.522000 |
CGEOTWGXFRJZLW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384174; PubChem:CID70681532
|
Local ready
Direct docking supported
|
|
E3L054693
BDB054693
|
BDBM50384175
CN1CCN(C(=O)c2cc(Nc3ncc4cc(C(N)=O)n(C5CCCC5)c4n3)cn2C)CC1
|
C23H30N8O2 450.547000 |
CXCXNZWXDOVZBA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384175; PubChem:CID57383477
|
Local ready
Direct docking supported
|
|
E3L054694
BDB054694
|
BDBM50384176
CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
|
C24H34N8O 450.591000 |
VCLDLBGMMXCQJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384176; PubChem:CID70681533
|
Local ready
Direct docking supported
|
|
E3L054695
BDB054695
|
BDBM50384177
CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
|
C24H33N7O2 451.575000 |
JZAIDLUIAGRFMY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384177; PubChem:CID70685778
|
Local ready
Direct docking supported
|
|
E3L054696
BDB054696
|
BDBM50384178
CN1CCN(C(=O)c2cc(Nc3ncc4cc(CO)n(C5CCCC5)c4n3)cn2C)CC1
|
C23H31N7O2 437.548000 |
FGBBAYDBFFBOCR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384178; PubChem:CID70692099
|
Local ready
Direct docking supported
|
|
E3L054697
BDB054697
|
BDBM50384179
CN1CCN(C(=O)c2cc(Nc3ncc4cc(C(=O)O)n(C5CCCC5)c4n3)cn2C)CC1
|
C23H29N7O3 451.531000 |
RRNINKNJSOMCSD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384179; PubChem:CID70696269
|
Local ready
Direct docking supported
|
|
E3L054698
BDB054698
|
BDBM50384725
Cc1cn(-c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc[nH]4)c3)cc(C(F)(F)F)c2)cn1
|
C31H23F3N6O2 568.559000 |
HAFMFNSFPWDDBC-VYYCAZPPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384725; PubChem:CID11621097
|
Local ready
Direct docking supported
|
|
E3L054699
BDB054699
|
BDBM50384888
C=CC(=O)NCc1coc(-c2c(N)ncnc2Nc2ccc(OCc3ccccn3)c(Cl)c2)n1
|
C23H20ClN7O3 477.912000 |
PRTPANUTPYMUDM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50384888; PubChem:CID53341082
|
Local ready
Direct docking supported
|
|
E3L054700
BDB054700
|
Seimatopolide A
CCCCCCCCC[C@H]1C[C@@H](O)[C@H](O)/C=C/[C@H](O)CC(=O)O1
|
C18H32O5 328.449000 |
VKFBQLMPTJTKBZ-ISHVXOLWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384909; PubChem:CID57409555
|
Local ready
Direct docking supported
|