| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004581
BDB004581
|
BDBM116365
NC(=O)c1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C17H15N5O2 321.340000 |
MAZAMYSGSCRKQA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116365; PubChem:CID66763684
|
Local ready
Direct docking supported
|
|
E3L004582
BDB004582
|
BDBM116366
CNC(=O)c1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C18H17N5O2 335.367000 |
SYZABUOQEIMAPM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116366; PubChem:CID66764015
|
Local ready
Direct docking supported
|
|
E3L004583
BDB004583
|
BDBM116367
NC(=O)c1cccc2c(N[C@H](C(=O)O)c3ccccc3)ncnc12
|
C17H14N4O3 322.324000 |
QDBRQQRJXNTUQB-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116367; PubChem:CID66763262
|
Local ready
Direct docking supported
|
|
E3L004584
BDB004584
|
BDBM116368
NC(=O)c1cccc2c(N[C@H](CO)c3ccccc3)ncnc12
|
C17H16N4O2 308.341000 |
QBHMKNUMBCLWBB-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116368; PubChem:CID66763442
|
Local ready
Direct docking supported
|
|
E3L004585
BDB004585
|
BDBM116370
NC(=O)c1cccc2c(N[C@H]3CCCc4ccccc43)ncnc12
|
C19H18N4O 318.380000 |
SEXFFDCSBOQVFF-INIZCTEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116370; PubChem:CID66762230
|
Local ready
Direct docking supported
|
|
E3L004586
BDB004586
|
BDBM116371
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ncnc12
|
C24H18F3N5O2 465.435000 |
OJZZJABMJWADMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116371; PubChem:CID66763638
|
Local ready
Direct docking supported
|
|
E3L004587
BDB004587
|
BDBM116372
NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)ncnc12
|
C24H18F3N5O2 465.435000 |
MUZRPKRRJFMGDE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116372; PubChem:CID66763449
|
Local ready
Direct docking supported
|
|
E3L004588
BDB004588
|
BDBM116373
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4C(F)(F)F)c3)ncnc12
|
C24H19F3N6O2 480.450000 |
KSFGFFQQMLCHJC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116373; PubChem:CID66763137
|
Local ready
Direct docking supported
|
|
E3L004589
BDB004589
|
BDBM116374
Cc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C24H22N6O2 426.480000 |
BRXIQCXGFZUJEE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116374; PubChem:CID66762471
|
Local ready
Direct docking supported
|
|
E3L004590
BDB004590
|
6-Amino-4-(benzylamino)quinazoline-8-carboxamide
NC(=O)c1cc(N)cc2c(NCc3ccccc3)ncnc12
|
C16H15N5O 293.330000 |
JUXMJRCACINJGY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116375; PubChem:CID66762460
|
Local ready
Direct docking supported
|
|
E3L004591
BDB004591
|
BDBM116376
Cc1cc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c2c1
|
C17H15FN4O 310.332000 |
RTCOSSHIJUWMEU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116376; PubChem:CID66762462
|
Local ready
Direct docking supported
|
|
E3L004592
BDB004592
|
BDBM116377
COC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C18H18N4O2 322.368000 |
ZJXWWGHDOHRWOE-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116377; PubChem:CID66763057
|
Local ready
Direct docking supported
|
|
E3L004593
BDB004593
|
BDBM116378
[N-]=[N+]=NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C17H15N7O 333.355000 |
ZNBNDHNWIUYYAW-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116378; PubChem:CID86662382
|
Local ready
Direct docking supported
|
|
E3L004594
BDB004594
|
BDBM116379
NCC1(c2ccc(OC(F)(F)F)cc2)CCN(c2ncnc3c(C(N)=O)cccc23)CC1
|
C22H22F3N5O2 445.445000 |
MKCCGKRJQDSJGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116379; PubChem:CID66762443
|
Local ready
Direct docking supported
|
|
E3L004595
BDB004595
|
BDBM116380
COc1cc(C(N)=O)c2ncnc(NCc3cccc(C(F)(F)F)c3)c2c1
|
C18H15F3N4O2 376.338000 |
QWDUSFJGONFTMI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116380; PubChem:CID66763849
|
Local ready
Direct docking supported
|
|
E3L004596
BDB004596
|
BDBM116381
NC(=O)c1cccc2c(NCc3cccc(NC(=O)N4CCOCC4)c3)ncnc12
|
C21H22N6O3 406.446000 |
UDERVHBPRFCGNL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116381; PubChem:CID66763873
|
Local ready
Direct docking supported
|
|
E3L004597
BDB004597
|
BDBM116382
COCCCNC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C21H24N6O3 408.462000 |
ODMRNHOIGXFNFQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116382; PubChem:CID66762960
|
Local ready
Direct docking supported
|
|
E3L004598
BDB004598
|
BDBM116383
NC(=O)c1cccc2c(NCc3cccc(NC(=O)NCCN4CCOCC4)c3)ncnc12
|
C23H27N7O3 449.515000 |
MFFAEDPPAOJPRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116383; PubChem:CID66763876
|
Local ready
Direct docking supported
|
|
E3L004599
BDB004599
|
BDBM116384
NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C17H17N5O 307.357000 |
UFMCGKYLIYMLOY-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116384; PubChem:CID46869309
|
Local ready
Direct docking supported
|
|
E3L004600
BDB004600
|
BDBM116385
NC(=O)c1cccc2c(NCc3cccc(NC(=O)N4CCCCC4)c3)ncnc12
|
C22H24N6O2 404.474000 |
WTPNSJYAYYXYNJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116385; PubChem:CID66761863
|
Local ready
Direct docking supported
|