| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005101
BDB005101
|
BDBM116932
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)nc4)c3)ncnc12
|
C23H17F3N6O2 466.423000 |
XZHGTQKZIVZJHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116932; PubChem:CID66763674
|
Local ready
Direct docking supported
|
|
E3L005102
BDB005102
|
BDBM116933
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Br)c4)c3)ncnc12
|
C23H18BrN5O2 476.334000 |
NFSWZORPOVHHLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116933; PubChem:CID66763508
|
Local ready
Direct docking supported
|
|
E3L005103
BDB005103
|
BDBM116934
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12
|
C23H18ClN5O2 431.883000 |
UFVBHPSYTMXORI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116934; PubChem:CID66763440
|
Local ready
Direct docking supported
|
|
E3L005104
BDB005104
|
BDBM116935
COc1ccc(C(=O)Nc2cccc(CN(C)c3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C25H23N5O3 441.491000 |
HOYCAZAYAZDSGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116935; PubChem:CID68078870
|
Local ready
Direct docking supported
|
|
E3L005105
BDB005105
|
BDBM116936
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCNC4)c3)ncnc12
|
C22H24N6O2 404.474000 |
KPCFWSWNBPMJIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116936; PubChem:CID66763356
|
Local ready
Direct docking supported
|
|
E3L005106
BDB005106
|
BDBM116937
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1
|
C27H28N6O2 468.561000 |
LBMOKRBEBYSURI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116937; PubChem:CID68794597
|
Local ready
Direct docking supported
|
|
E3L005107
BDB005107
|
BDBM116938
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CCC(N5CCOCC5)C=C4)c3)ncnc12
|
C27H28N6O3 484.560000 |
LSBLRFKCBQDXLO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116938; PubChem:CID68081974
|
Local ready
Direct docking supported
|
|
E3L005108
BDB005108
|
BDBM116939
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1OC
|
C25H23N5O4 457.490000 |
KPFKWRJCTOGYCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116939; PubChem:CID66763877
|
Local ready
Direct docking supported
|
|
E3L005109
BDB005109
|
BDBM116940
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)ncnc12
|
C24H18F3N5O3 481.434000 |
YWZXPHGLOMUDHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116940; PubChem:CID66763550
|
Local ready
Direct docking supported
|
|
E3L005110
BDB005110
|
BDBM116941
COc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C24H21N5O3 427.464000 |
NQOIWUCLZREOSK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116941; PubChem:CID66762406
|
Local ready
Direct docking supported
|
|
E3L005111
BDB005111
|
BDBM116942
CC(Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C31H26BrN5O3 596.485000 |
UJXREKUGWQCMJF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116942; PubChem:CID66763487
|
Local ready
Direct docking supported
|
|
E3L005112
BDB005112
|
BDBM116943
N#Cc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C24H18N6O2 422.448000 |
XAGUVCIPGYLDFN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116943; PubChem:CID66762781
|
Local ready
Direct docking supported
|
|
E3L005113
BDB005113
|
BDBM116944
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12
|
C23H18ClN5O2 431.883000 |
NHLHBOLWWGNMJH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116944; PubChem:CID66763255
|
Local ready
Direct docking supported
|
|
E3L005114
BDB005114
|
BDBM116945
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(O)c(F)c2)c1
|
C24H20FN5O3 445.454000 |
HMLDXQBTXVPSOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116945; PubChem:CID66762297
|
Local ready
Direct docking supported
|
|
E3L005115
BDB005115
|
BDBM116946
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4OCCO)c3)ncnc12
|
C25H23N5O4 457.490000 |
PXVPCLNOMYTQQA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116946; PubChem:CID66764043
|
Local ready
Direct docking supported
|
|
E3L005116
BDB005116
|
BDBM116947
COc1ccc(C(=O)Nc2ccc(F)c(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C24H20FN5O3 445.454000 |
QWMDXMFYSJOKEB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116947; PubChem:CID66763290
|
Local ready
Direct docking supported
|
|
E3L005117
BDB005117
|
BDBM116948
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12
|
C23H17F2N5O2 433.418000 |
XQHCUHBVDXWRKR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116948; PubChem:CID66763183
|
Local ready
Direct docking supported
|
|
E3L005118
BDB005118
|
BDBM116949
COc1ccc(C(=O)Nc2cc(CNc3ncnc4c(C(N)=O)cccc34)ccc2C)cc1
|
C25H23N5O3 441.491000 |
LEKLEQSVVRJEHN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116949; PubChem:CID66763555
|
Local ready
Direct docking supported
|
|
E3L005119
BDB005119
|
BDBM116950
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1
|
C27H28N6O2 468.561000 |
SSJZAOVCTAZHIR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116950; PubChem:CID66763872
|
Local ready
Direct docking supported
|
|
E3L005120
BDB005120
|
BDBM116951
N#Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C24H18N6O2 422.448000 |
JYTYZRSXADUJAY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116951; PubChem:CID66763141
|
Local ready
Direct docking supported
|