| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057581
BDB057581
|
Alternarienonic Acid
COc1cc(O)c(C(=O)O)c(C2=C(C)C[C@@H](O)C2=O)c1
|
C14H14O6 278.260000 |
KZPGRZQYEBJXQJ-SNVBAGLBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479265; PubChem:CID24900161
|
Local ready
Direct docking supported
|
|
E3L057582
BDB057582
|
4-Hydroxyalternariol 9-methyl ether
COc1cc(O)c2c(=O)oc3c(O)c(O)cc(C)c3c2c1
|
C15H12O6 288.255000 |
BVYAURIYXKOUPX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479266; PubChem:CID24899916
|
Local ready
Direct docking supported
|
|
E3L057583
BDB057583
|
Alternariol
Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
|
C14H10O5 258.229000 |
CEBXXEKPIIDJHL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479267; PubChem:CID5359485
|
Local ready
Direct docking supported
|
|
E3L057584
BDB057584
|
BDBM50479509
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCc2cccc(OC)c2)cc1
|
C22H25N5O3 407.474000 |
MFFXJJNWUYSIMI-ZVHZXABRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479509; PubChem:CID25223973
|
Local ready
Direct docking supported
|
|
E3L057585
BDB057585
|
BDBM50479510
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccc(OC)cc2)cc1
|
C20H21N5O3 379.420000 |
QSZMJRUZGFSOPG-CIAFOILYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479510; PubChem:CID25224190
|
Local ready
Direct docking supported
|
|
E3L057586
BDB057586
|
BDBM50479511
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccccc2OC)cc1
|
C20H21N5O3 379.420000 |
SCXQQWHRYXJQNB-CIAFOILYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479511; PubChem:CID25223975
|
Local ready
Direct docking supported
|
|
E3L057587
BDB057587
|
BDBM50479512
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccc(N(C)C)cc2)cc1
|
C21H24N6O2 392.463000 |
DSICLPZQKOANGU-LPYMAVHISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479512; PubChem:CID25223976
|
Local ready
Direct docking supported
|
|
E3L057588
BDB057588
|
BDBM50479513
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCc2cccc(NC(C)=O)c2)cc1
|
C22H24N6O3 420.473000 |
ZJLVBWVUNPHJOZ-ZMOGYAJESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479513; PubChem:CID25224083
|
Local ready
Direct docking supported
|
|
E3L057589
BDB057589
|
BDBM50479514
CCOC(=O)c1c(C)n[nH]c1N/N=C/c1ccc2[nH]ccc2c1
|
C16H17N5O2 311.345000 |
LQDMOOMLIOLHIB-GIJQJNRQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479514; PubChem:CID25224078
|
Local ready
Direct docking supported
|
|
E3L057590
BDB057590
|
BDBM50479515
CCOC(=O)c1c(C)n[nH]c1N/N=C/c1cccc2[nH]ccc12
|
C16H17N5O2 311.345000 |
RZOOFUNWMHXJCE-GIJQJNRQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479515; PubChem:CID25223775
|
Local ready
Direct docking supported
|
|
E3L057591
BDB057591
|
BDBM50479516
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCc2ccccc2)cc1
|
C20H21N5O2 363.421000 |
ZSSDQQZBPRJDDD-LPYMAVHISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479516; PubChem:CID25223778
|
Local ready
Direct docking supported
|
|
E3L057592
BDB057592
|
BDBM50479517
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCc2ccccc2)cc1
|
C21H23N5O2 377.448000 |
AASWQYZCODNYNZ-OEAKJJBVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479517; PubChem:CID25223779
|
Local ready
Direct docking supported
|
|
E3L057593
BDB057593
|
BDBM50479518
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCCc2ccccc2)cc1
|
C22H25N5O2 391.475000 |
JGLVENOVFNDFMG-BUVRLJJBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479518; PubChem:CID25224080
|
Local ready
Direct docking supported
|
|
E3L057594
BDB057594
|
BDBM50479519
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCc2ccc(OC)cc2)cc1
|
C21H23N5O3 393.447000 |
XCFKWYHAKGPMBK-YDZHTSKRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479519; PubChem:CID25223873
|
Local ready
Direct docking supported
|
|
E3L057595
BDB057595
|
BDBM50479520
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccc(NC(C)=O)cc2)cc1
|
C21H22N6O3 406.446000 |
FFKOWNDLBDGTDC-WSDLNYQXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479520; PubChem:CID25224192
|
Local ready
Direct docking supported
|
|
E3L057596
BDB057596
|
BDBM50479521
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCc2cccc(OC)c2)cc1
|
C21H23N5O3 393.447000 |
CWTQLPARGRCVGO-YDZHTSKRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479521; PubChem:CID25223874
|
Local ready
Direct docking supported
|
|
E3L057597
BDB057597
|
BDBM50479522
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccc(OC)c(OC)c2)cc1
|
C21H23N5O4 409.446000 |
GGVCVEDOKZBUDA-WSDLNYQXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479522; PubChem:CID25224191
|
Local ready
Direct docking supported
|
|
E3L057598
BDB057598
|
BDBM50479523
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)N(C)c2ccccc2)cc1
|
C20H21N5O2 363.421000 |
FMLPPXXQMXJONO-FYJGNVAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479523; PubChem:CID25223870
|
Local ready
Direct docking supported
|
|
E3L057599
BDB057599
|
BDBM50479524
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2cccc(OC)c2)cc1
|
C20H21N5O3 379.420000 |
PYBWCZHBDNJDHC-CIAFOILYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479524; PubChem:CID25223974
|
Local ready
Direct docking supported
|
|
E3L057600
BDB057600
|
BDBM50479525
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccc(F)cc2)cc1
|
C19H18FN5O2 367.384000 |
JGVYVAACDQBCKG-SRZZPIQSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479525; PubChem:CID25223977
|
Local ready
Direct docking supported
|