| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004801
BDB004801
|
BDBM116600
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C#N)c(F)c2)c1
|
C25H19FN6O2 454.465000 |
MMJLTRRVKQFACD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116600; PubChem:CID66763760
|
Local ready
Direct docking supported
|
|
E3L004802
BDB004802
|
BDBM116601
CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1
|
C25H21F3N6O2 494.477000 |
RGLSQZGEAOHRTM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116601; PubChem:CID66763897
|
Local ready
Direct docking supported
|
|
E3L004803
BDB004803
|
BDBM116602
CN(CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1)C(=O)OC(C)(C)C
|
C30H30F2N6O4 576.604000 |
INIPMXIFCLHYIN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116602; PubChem:CID68078681
|
Local ready
Direct docking supported
|
|
E3L004804
BDB004804
|
BDBM116603
CCNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(F)c1
|
C20H22FN5O2 383.427000 |
WOVZBZPJTHFHQU-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116603; PubChem:CID66763019
|
Local ready
Direct docking supported
|
|
E3L004805
BDB004805
|
BDBM116604
Cc1nc(C)c(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1
|
C23H22N6O2S 446.536000 |
JWYNPNNKXPDNQR-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116604; PubChem:CID66768120
|
Local ready
Direct docking supported
|
|
E3L004806
BDB004806
|
BDBM116605
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1
|
C24H19ClFN5O2 463.900000 |
JGTLCWBXBNQZGX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116605; PubChem:CID66762438
|
Local ready
Direct docking supported
|
|
E3L004807
BDB004807
|
BDBM116606
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccc(F)c2F)c1
|
C26H23F2N5O3 491.498000 |
JMLSGXAFWBMOHG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116606; PubChem:CID66763379
|
Local ready
Direct docking supported
|
|
E3L004808
BDB004808
|
BDBM116607
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CCC(Cl)N=C2)c1
|
C23H21ClN6O2 448.914000 |
LSOZVYDETZGJRK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116607; PubChem:CID68078684
|
Local ready
Direct docking supported
|
|
E3L004809
BDB004809
|
BDBM116610
NC[C@H](Cc1ccccc1)Nc1ncnc2c(C(N)=O)cccc12
|
C18H19N5O 321.384000 |
OQISTSSMSVJSIA-ZDUSSCGKSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116610; PubChem:CID66763808
|
Local ready
Direct docking supported
|
|
E3L004810
BDB004810
|
BDBM116611
CNCC(Nc1ncnc2c(C(N)=O)cc(O)cc12)c1ccccc1
|
C18H19N5O2 337.383000 |
IZYYQEHJGDFEGP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116611; PubChem:CID66762519
|
Local ready
Direct docking supported
|
|
E3L004811
BDB004811
|
BDBM116613
Cc1ncc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1
|
C22H20N6O2S 432.509000 |
HAKWYGIXPYBWTK-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116613; PubChem:CID66762900
|
Local ready
Direct docking supported
|
|
E3L004812
BDB004812
|
BDBM116614
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(F)F)n[nH]2)c1
|
C22H19F2N7O2 451.437000 |
JXOFZRFVAKUHDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116614; PubChem:CID68078623
|
Local ready
Direct docking supported
|
|
E3L004813
BDB004813
|
BDBM116615
Cc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C24H22N6O2 426.480000 |
JMHMGIHHTONCMK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116615; PubChem:CID66762906
|
Local ready
Direct docking supported
|
|
E3L004814
BDB004814
|
BDBM116616
COc1ccc(COc2cc(C(N)=O)c3ncnc(NC(CN(C)C)c4cccc(F)c4)c3c2)cc1
|
C27H28FN5O3 489.551000 |
AUJLKABCXYHSMK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116616; PubChem:CID66763003
|
Local ready
Direct docking supported
|
|
E3L004815
BDB004815
|
BDBM116617
CN1CCN(c2ccc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)cn2)CC1
|
C27H28N8O2 496.575000 |
KXEJAEQUXNWZTK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116617; PubChem:CID68078696
|
Local ready
Direct docking supported
|
|
E3L004816
BDB004816
|
BDBM116618
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2cccc(F)c2F)=C1
|
C27H28F2N6O2 506.557000 |
BXFVYQXRSWCGMU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116618; PubChem:CID68078634
|
Local ready
Direct docking supported
|
|
E3L004817
BDB004817
|
BDBM116619
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
|
C29H28F2N6O2 530.579000 |
NHNIQMDXSHWKPU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116619; PubChem:CID66763594
|
Local ready
Direct docking supported
|
|
E3L004818
BDB004818
|
BDBM116620
NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(Br)cc4)c3)ncnc12
|
C23H17BrFN5O2 494.324000 |
SWEZOINTKPVMEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116620; PubChem:CID66763676
|
Local ready
Direct docking supported
|
|
E3L004819
BDB004819
|
BDBM116621
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(N)c1
|
C19H22N6O 350.426000 |
OFGXCCDXYUXZLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116621; PubChem:CID66763779
|
Local ready
Direct docking supported
|
|
E3L004820
BDB004820
|
BDBM116622
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C26H24BrN5O3 534.414000 |
SZCJQZJURBSEEN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116622; PubChem:CID66763533
|
Local ready
Direct docking supported
|