| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004761
BDB004761
|
BDBM116552
CN(CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C
|
C23H26N6O5 466.498000 |
UTOWQUDTUIJADK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116552; PubChem:CID66763717
|
Local ready
Direct docking supported
|
|
E3L004762
BDB004762
|
BDBM116553
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12
|
C23H17F2N5O2 433.418000 |
DHNWCWGJFSTRBB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116553; PubChem:CID46869909
|
Local ready
Direct docking supported
|
|
E3L004763
BDB004763
|
BDBM116554
CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C19H21N5O 335.411000 |
AAEAMMIUQZAASJ-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116554; PubChem:CID46869910
|
Local ready
Direct docking supported
|
|
E3L004764
BDB004764
|
BDBM116555
CC1CC=C(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)C=C1F
|
C25H24FN5O2 445.498000 |
OXHFPLUADZAODN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116555; PubChem:CID68078582
|
Local ready
Direct docking supported
|
|
E3L004765
BDB004765
|
BDBM116556
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1
|
C24H20FN5O3 445.454000 |
SICPNVSSMIOAEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116556; PubChem:CID46869912
|
Local ready
Direct docking supported
|
|
E3L004766
BDB004766
|
BDBM116558
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)cc2F)c1
|
C27H26F2N6O2 504.541000 |
MFRRIEBIBJQMAF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116558; PubChem:CID46868885
|
Local ready
Direct docking supported
|
|
E3L004767
BDB004767
|
BDBM116559
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12
|
C23H17Cl2N5O2 466.328000 |
LJMKRAKDJVPMIO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116559; PubChem:CID46868886
|
Local ready
Direct docking supported
|
|
E3L004768
BDB004768
|
BDBM116560
CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)nc2)c1
|
C25H24N6O3 456.506000 |
POBKWGYBFDTZBY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116560; PubChem:CID46868887
|
Local ready
Direct docking supported
|
|
E3L004769
BDB004769
|
BDBM116561
CNCC(Nc1ncnc2c1=CCCC=2C(N)=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C26H25F3N6O2 510.520000 |
AADMVMUUAFAHRV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116561; PubChem:CID68078590
|
Local ready
Direct docking supported
|
|
E3L004770
BDB004770
|
BDBM116562
Cc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C24H22N6O2 426.480000 |
JMHMGIHHTONCMK-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116562; PubChem:CID46868889
|
Local ready
Direct docking supported
|
|
E3L004771
BDB004771
|
BDBM116563
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1
|
C28H27F3N6O2 536.558000 |
BMYPGRZADREWCU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116563; PubChem:CID46868956
|
Local ready
Direct docking supported
|
|
E3L004772
BDB004772
|
BDBM116564
COCCC(Nc1ncnc2c(C(N)=O)cccc12)C1=CCCC(NC(=O)c2ccc(F)cc2F)=C1
|
C26H25F2N5O3 493.514000 |
FKRLYOFLOQRBNO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116564; PubChem:CID68078846
|
Local ready
Direct docking supported
|
|
E3L004773
BDB004773
|
BDBM116565
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc([N+](=O)[O-])c1
|
C19H20N6O3 380.408000 |
PPACVGVOVMKIML-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116565; PubChem:CID46868958
|
Local ready
Direct docking supported
|
|
E3L004774
BDB004774
|
BDBM116567
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cncc(N5CCCC5)c4)c3)ncnc12
|
C26H25N7O2 467.533000 |
SKTCDUXPKLCJIP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116567; PubChem:CID46868960
|
Local ready
Direct docking supported
|
|
E3L004775
BDB004775
|
BDBM116568
CN(C)CC(Nc1ncnc2c(C(N)=O)cc(OCC3CC3)cc12)c1cccc(F)c1
|
C23H26FN5O2 423.492000 |
MDBLXTCBPCQULU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116568; PubChem:CID46868961
|
Local ready
Direct docking supported
|
|
E3L004776
BDB004776
|
BDBM116569
Cc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1C
|
C26H25N5O2 439.519000 |
KWBXLLQBOZJIAV-QGZVFWFLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116569; PubChem:CID46869028
|
Local ready
Direct docking supported
|
|
E3L004777
BDB004777
|
BDBM116570
CNCC(Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1cccc(Cl)c1
|
C25H24ClN5O2 461.953000 |
OPYPJZSJHHSMJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116570; PubChem:CID46869029
|
Local ready
Direct docking supported
|
|
E3L004778
BDB004778
|
BDBM116571
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1
|
C25H19F4N5O2 497.452000 |
PELODSQJHQJMMD-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116571; PubChem:CID66763188
|
Local ready
Direct docking supported
|
|
E3L004779
BDB004779
|
BDBM116572
CN(CCO)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C25H25N7O3 471.521000 |
FTLGJGCPUAMLIH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116572; PubChem:CID46869031
|
Local ready
Direct docking supported
|
|
E3L004780
BDB004780
|
BDBM116573
CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1
|
C27H27BrN6O2 547.457000 |
YGQJBWJOHRVWHU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116573; PubChem:CID46869032
|
Local ready
Direct docking supported
|