| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004821
BDB004821
|
BDBM116623
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1
|
C24H19F3N6O2 480.450000 |
RFRCSMPUQCLUQP-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116623; PubChem:CID66763927
|
Local ready
Direct docking supported
|
|
E3L004822
BDB004822
|
BDBM116624
NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CC(F)C(Cl)C=C4)c3)ncnc12
|
C23H19ClFN5O2 451.889000 |
RKZPJUYYKFXMLU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116624; PubChem:CID68078646
|
Local ready
Direct docking supported
|
|
E3L004823
BDB004823
|
BDBM116625
COCCC(Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2cc(F)ccc2F)=C1
|
C26H25F2N5O3 493.514000 |
SFVVRJCZCCKAKZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116625; PubChem:CID68081025
|
Local ready
Direct docking supported
|
|
E3L004824
BDB004824
|
BDBM116626
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccc(F)c2)c1
|
C24H20FN5O2 429.455000 |
JPXOUJDDCUAQFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116626; PubChem:CID66762961
|
Local ready
Direct docking supported
|
|
E3L004825
BDB004825
|
BDBM116627
CN(C)CC(Nc1ncnc2c(C(N)=O)cc(OC3CCC3)cc12)c1cccc(F)c1
|
C23H26FN5O2 423.492000 |
UGSMZLIUJPNNFB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116627; PubChem:CID68078886
|
Local ready
Direct docking supported
|
|
E3L004826
BDB004826
|
BDBM116628
CN(C)CC(Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(Cl)c1
|
C19H20ClN5O2 385.855000 |
REICLTJSLHAADW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116628; PubChem:CID66763097
|
Local ready
Direct docking supported
|
|
E3L004827
BDB004827
|
BDBM116631
C=CCN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1
|
C30H32N6O3 524.625000 |
NRBGHJOLFXFDFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116631; PubChem:CID66763854
|
Local ready
Direct docking supported
|
|
E3L004828
BDB004828
|
BDBM116632
Cc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1Cl
|
C25H22ClN5O2 459.937000 |
SPCDTNUNXCPQPQ-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116632; PubChem:CID66762665
|
Local ready
Direct docking supported
|
|
E3L004829
BDB004829
|
BDBM116633
NC(=O)c1cccc2c(NC(CCN3CCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
|
C28H27BrN6O2 559.468000 |
KRUKDVBCEQTOCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116633; PubChem:CID66763034
|
Local ready
Direct docking supported
|
|
E3L004830
BDB004830
|
BDBM116634
COCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1
|
C26H25N5O4 471.517000 |
BGCQKRIZWQNGJK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116634; PubChem:CID66762675
|
Local ready
Direct docking supported
|
|
E3L004831
BDB004831
|
BDBM116635
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1
|
C26H23N5O4 469.501000 |
FWCNPQPYGXFFSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116635; PubChem:CID66763001
|
Local ready
Direct docking supported
|
|
E3L004832
BDB004832
|
BDBM116636
CN(CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1)C(=O)OC(C)(C)C
|
C30H30F2N6O4 576.604000 |
RLEBVXHKDJKLHD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116636; PubChem:CID68078664
|
Local ready
Direct docking supported
|
|
E3L004833
BDB004833
|
BDBM116637
CN(C)CC(Nc1ncnc2c(C(N)=O)cc(O)cc12)c1cccc(F)c1
|
C19H20FN5O2 369.400000 |
FKGMUZBYHNMNSM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116637; PubChem:CID66763069
|
Local ready
Direct docking supported
|
|
E3L004834
BDB004834
|
BDBM116638
NC(=O)c1ccccc(N[C@H](CNCCS)c2ccccc2)ncnc1
|
C19H23N5OS 369.494000 |
NSTHHWXJQFPGNS-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116638; PubChem:CID77014381
|
Local ready
Direct docking supported
|
|
E3L004835
BDB004835
|
BDBM116639
COc1ccc(C(=O)Nc2cccc(C(CCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C26H25N5O4 471.517000 |
LDFNTCCSAZUOGI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116639; PubChem:CID68795282
|
Local ready
Direct docking supported
|
|
E3L004836
BDB004836
|
BDBM116640
NC(=O)c1cccc2c(NCc3cccc(NC(O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12
|
C24H19F4N5O2 485.441000 |
PSYMLFSTUXAGFZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116640; PubChem:CID68078728
|
Local ready
Direct docking supported
|
|
E3L004837
BDB004837
|
BDBM116641
CC(C)N(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C21H25N5O 363.465000 |
ZMIIFFANXFZVIP-GOSISDBHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116641; PubChem:CID66763586
|
Local ready
Direct docking supported
|
|
E3L004838
BDB004838
|
BDBM116642
COCCOc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3cccc(F)c3)c2c1
|
C22H26FN5O3 427.480000 |
YERVWHTZAGNUEL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116642; PubChem:CID66762596
|
Local ready
Direct docking supported
|
|
E3L004839
BDB004839
|
BDBM116643
COc1cc(C(N)=O)c2ncnc(NC(CN(C)C)c3ccc(F)cc3)c2c1
|
C20H22FN5O2 383.427000 |
IWGIUZSSSYNTCU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116643; PubChem:CID66763245
|
Local ready
Direct docking supported
|
|
E3L004840
BDB004840
|
BDBM116647
CNc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C23H21N7O2 427.468000 |
MPLYXIRRQBHUMZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116647; PubChem:CID68078654
|
Local ready
Direct docking supported
|