| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004781
BDB004781
|
BDBM116576
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1
|
C25H27N7O2 457.538000 |
SRJJNRIRROSSLD-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116576; PubChem:CID46869105
|
Local ready
Direct docking supported
|
|
E3L004782
BDB004782
|
BDBM116577
COc1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C24H22N6O3 442.479000 |
NXUJCUODKLXIPE-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116577; PubChem:CID46869106
|
Local ready
Direct docking supported
|
|
E3L004783
BDB004783
|
BDBM116579
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1
|
C25H27N7O2 457.538000 |
SRJJNRIRROSSLD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116579; PubChem:CID46869178
|
Local ready
Direct docking supported
|
|
E3L004784
BDB004784
|
BDBM116580
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1
|
C24H22BrN5O2 492.377000 |
AKYGBXZKHJOPDB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116580; PubChem:CID68078603
|
Local ready
Direct docking supported
|
|
E3L004785
BDB004785
|
BDBM116581
CN(CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1)C(=O)OC(C)(C)C
|
C30H32N6O4 540.624000 |
DLYKSKLOFRPDPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116581; PubChem:CID46869180
|
Local ready
Direct docking supported
|
|
E3L004786
BDB004786
|
BDBM116582
COc1cccc(C(CN(C)C)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C20H23N5O2 365.437000 |
ALLGNFRRMBCRHD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116582; PubChem:CID46869181
|
Local ready
Direct docking supported
|
|
E3L004787
BDB004787
|
BDBM116583
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1
|
C26H23F2N5O3 491.498000 |
FFJNCCISXWZBSC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116583; PubChem:CID46869182
|
Local ready
Direct docking supported
|
|
E3L004788
BDB004788
|
BDBM116584
Cc1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccc1Cl
|
C25H22ClN5O2 459.937000 |
CVCLGNCOASWGPB-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116584; PubChem:CID46869183
|
Local ready
Direct docking supported
|
|
E3L004789
BDB004789
|
BDBM116585
CCOc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
|
C21H24FN5O2 397.454000 |
GWUYLDMVDQHMJN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116585; PubChem:CID46869253
|
Local ready
Direct docking supported
|
|
E3L004790
BDB004790
|
BDBM116587
CCNC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C19H21N5O 335.411000 |
HITVHYHCWXALKZ-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116587; PubChem:CID46869255
|
Local ready
Direct docking supported
|
|
E3L004791
BDB004791
|
BDBM116588
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1
|
C24H19BrFN5O2 508.351000 |
ZTCGLAMYEAGAAN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116588; PubChem:CID66763426
|
Local ready
Direct docking supported
|
|
E3L004792
BDB004792
|
BDBM116589
COCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
|
C25H23N5O3 441.491000 |
CXSMTMCUUMPVML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116589; PubChem:CID66762401
|
Local ready
Direct docking supported
|
|
E3L004793
BDB004793
|
BDBM116592
NCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C18H19N5O 321.384000 |
HCBIHPMBVAMDAB-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116592; PubChem:CID66763242
|
Local ready
Direct docking supported
|
|
E3L004794
BDB004794
|
BDBM116593
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(F)cc1
|
C19H20FN5O 353.401000 |
OHUFXMWOWSOHFW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116593; PubChem:CID66762774
|
Local ready
Direct docking supported
|
|
E3L004795
BDB004795
|
BDBM116594
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C27H24F3N5O3 523.515000 |
ZKQGSMFEXARYCS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116594; PubChem:CID66763368
|
Local ready
Direct docking supported
|
|
E3L004796
BDB004796
|
BDBM116595
COc1ccc(C(=O)Nc2cccc(C(CN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(F)c1
|
C31H33FN6O5 588.640000 |
NUAVXRQHCVNICO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116595; PubChem:CID68078679
|
Local ready
Direct docking supported
|
|
E3L004797
BDB004797
|
BDBM116596
NCC(Cc1ccccc1)Nc1ncnc2c(C(N)=O)cccc12
|
C18H19N5O 321.384000 |
OQISTSSMSVJSIA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116596; PubChem:CID66763520
|
Local ready
Direct docking supported
|
|
E3L004798
BDB004798
|
BDBM116597
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1
|
C24H19F3N6O2 480.450000 |
RFRCSMPUQCLUQP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116597; PubChem:CID66763725
|
Local ready
Direct docking supported
|
|
E3L004799
BDB004799
|
BDBM116598
COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C24H22N6O3 442.479000 |
GTUAZZUFAUMXII-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116598; PubChem:CID66763098
|
Local ready
Direct docking supported
|
|
E3L004800
BDB004800
|
BDBM116599
CNCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1
|
C19H20N6O3 380.408000 |
SEZZPLMFRCCWJD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116599; PubChem:CID66764143
|
Local ready
Direct docking supported
|