| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004901
BDB004901
|
BDBM116718
COc1ccc(C(N)=O)c2ncnc(NCc3cccc(F)c3)c12
|
C17H15FN4O2 326.331000 |
MUMSIQMSWOOIAW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116718; PubChem:CID66763598
|
Local ready
Direct docking supported
|
|
E3L004902
BDB004902
|
BDBM116720
COCCCOC1C=C(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)C=CC1
|
C27H29N5O4 487.560000 |
JRJLSKJAGSYHAP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116720; PubChem:CID68078721
|
Local ready
Direct docking supported
|
|
E3L004903
BDB004903
|
BDBM116721
CNCCOc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C26H26N6O3 470.533000 |
ZDDHVWIKFYVEKR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116721; PubChem:CID66763971
|
Local ready
Direct docking supported
|
|
E3L004904
BDB004904
|
BDBM116724
CN(C)CCNC(=O)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C29H30BrN7O3 604.509000 |
VNQGYSYYWYWSPN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116724; PubChem:CID68078792
|
Local ready
Direct docking supported
|
|
E3L004905
BDB004905
|
BDBM116725
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C(F)(F)F)n[nH]4)c3)ncnc12
|
C21H16F3N7O2 455.400000 |
QUXMKGGVROUWSP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116725; PubChem:CID66763748
|
Local ready
Direct docking supported
|
|
E3L004906
BDB004906
|
BDBM116726
COc1ccc(C(=O)Nc2cccc(C(CCN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C32H36N6O5 584.677000 |
WJMWJDYFXSDIDZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116726; PubChem:CID68078729
|
Local ready
Direct docking supported
|
|
E3L004907
BDB004907
|
BDBM116727
Cn1cnc2c(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)nccc21
|
C23H20N8O 424.468000 |
ZJTCESMUJZZNAL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116727; PubChem:CID66762191
|
Local ready
Direct docking supported
|
|
E3L004908
BDB004908
|
BDBM116728
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(F)ccc2F)c1
|
C27H26F2N6O2 504.541000 |
QWDOEIJNIDENOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116728; PubChem:CID66763839
|
Local ready
Direct docking supported
|
|
E3L004909
BDB004909
|
BDBM116729
CC(C)Oc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
|
C22H26FN5O2 411.481000 |
MGWHJLKHRKKRKJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116729; PubChem:CID66763516
|
Local ready
Direct docking supported
|
|
E3L004910
BDB004910
|
BDBM116730
COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F
|
C25H22FN5O3 459.481000 |
WACBDIUIBDYGCE-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116730; PubChem:CID66762311
|
Local ready
Direct docking supported
|
|
E3L004911
BDB004911
|
BDBM116731
NC(=O)c1cccc2c(NCc3cccc(F)c3F)ncnc12
|
C16H12F2N4O 314.295000 |
PKNKGYPEAHZWCQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116731; PubChem:CID66763022
|
Local ready
Direct docking supported
|
|
E3L004912
BDB004912
|
BDBM116732
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccoc2)c1
|
C22H19N5O3 401.426000 |
OIHRDLGLZDFHAD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116732; PubChem:CID66763376
|
Local ready
Direct docking supported
|
|
E3L004913
BDB004913
|
BDBM116734
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccnc(N5CCCCC5)c4)c3)ncnc12
|
C27H27N7O2 481.560000 |
BXONPPLBOJAICG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116734; PubChem:CID68078742
|
Local ready
Direct docking supported
|
|
E3L004914
BDB004914
|
BDBM116736
CC(NC1=NC=NC2C(C(N)=O)=CCC=C12)c1cccc(NC(=O)c2ccc(N3CCOCC3)cc2)c1
|
C28H30N6O3 498.587000 |
NWDPAGBWBJBPGW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116736; PubChem:CID136277830
|
Local ready
Direct docking supported
|
|
E3L004915
BDB004915
|
BDBM116737
NC(=O)c1cccc2c(NCC3C=CC=C(NC=O)C3)ncnc12
|
C17H17N5O2 323.356000 |
VCASZZUAVHWYHQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116737; PubChem:CID77014388
|
Local ready
Direct docking supported
|
|
E3L004916
BDB004916
|
BDBM116738
NC(=O)c1cc(O)cc2c(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)ncnc12
|
C26H25N7O3 483.532000 |
SCBRGKRRYRGFMN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116738; PubChem:CID68078755
|
Local ready
Direct docking supported
|
|
E3L004917
BDB004917
|
BDBM116739
NC(=O)c1cccc2c(NCc3cc(F)cc(Cl)c3)ncnc12
|
C16H12ClFN4O 330.750000 |
UGDGEVJHIYFEKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116739; PubChem:CID66763505
|
Local ready
Direct docking supported
|
|
E3L004918
BDB004918
|
BDBM116740
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(O)c2cc(C3CC3)n[nH]2)c1
|
C27H32N8O2 500.607000 |
SHHVFBHRTMUGBM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116740; PubChem:CID68078750
|
Local ready
Direct docking supported
|
|
E3L004919
BDB004919
|
BDBM116741
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc[n+]([O-])cc2)c1
|
C23H20N6O3 428.452000 |
QVNMOHZFRQPAJG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116741; PubChem:CID66764037
|
Local ready
Direct docking supported
|
|
E3L004920
BDB004920
|
BDBM116744
Cc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(C(F)(F)F)o1
|
C24H20F3N5O3 483.450000 |
IKLMCSQBFDOMDW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116744; PubChem:CID66763264
|
Local ready
Direct docking supported
|