| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004601
BDB004601
|
4-[2-(Benzylamino)ethylamino]quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCCNCc3ccccc3)ncnc12
|
C18H19N5O 321.384000 |
PCBXYEMAQBQSOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116386; PubChem:CID66762996
|
Local ready
Direct docking supported
|
|
E3L004602
BDB004602
|
BDBM116387
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C24H21N5O3 427.464000 |
JWSHIVZYYNSBPC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116387; PubChem:CID66763499
|
Local ready
Direct docking supported
|
|
E3L004603
BDB004603
|
BDBM116388
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12
|
C23H18BrN5O2 476.334000 |
IXXXRLXHQHLRSJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116388; PubChem:CID66763921
|
Local ready
Direct docking supported
|
|
E3L004604
BDB004604
|
BDBM116389
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12
|
C24H18F3N5O3 481.434000 |
HJSKYXYROPNQCA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116389; PubChem:CID66763467
|
Local ready
Direct docking supported
|
|
E3L004605
BDB004605
|
BDBM116390
CN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C25H24N6O2 440.507000 |
OVECHGPXFIKXEK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116390; PubChem:CID66763393
|
Local ready
Direct docking supported
|
|
E3L004606
BDB004606
|
BDBM116391
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)ncnc12
|
C24H19N5O4 441.447000 |
DDSBMKNXVLTBPK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116391; PubChem:CID66763907
|
Local ready
Direct docking supported
|
|
E3L004607
BDB004607
|
BDBM116392
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Cc4ccccc4)c3)ncnc12
|
C24H21N5O2 411.465000 |
BZUCVINJZSBGPK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116392; PubChem:CID66763922
|
Local ready
Direct docking supported
|
|
E3L004608
BDB004608
|
BDBM116393
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
|
C23H17F2N5O2 433.418000 |
BXOCOVVDMXWPQN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116393; PubChem:CID66762765
|
Local ready
Direct docking supported
|
|
E3L004609
BDB004609
|
BDBM116394
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(SC(F)(F)F)cc4)c3)ncnc12
|
C24H18F3N5O2S 497.502000 |
PWWRGGQDPGYVDM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116394; PubChem:CID66762387
|
Local ready
Direct docking supported
|
|
E3L004610
BDB004610
|
BDBM116396
COc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
|
C24H20FN5O3 445.454000 |
XZEFTYTUTILRTG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116396; PubChem:CID66762826
|
Local ready
Direct docking supported
|
|
E3L004611
BDB004611
|
BDBM116397
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(CN5CCOCC5)c4)c3)ncnc12
|
C28H28N6O3 496.571000 |
HGNBWJGVQVTGIE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116397; PubChem:CID66761885
|
Local ready
Direct docking supported
|
|
E3L004612
BDB004612
|
BDBM116398
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)ncnc12
|
C24H20ClN5O2 445.910000 |
CVCJVUAHYHAMIA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116398; PubChem:CID66763781
|
Local ready
Direct docking supported
|
|
E3L004613
BDB004613
|
BDBM116399
CCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(F)cc4)c3)c2c1
|
C25H22FN5O3 459.481000 |
VPHVDXANMJOXMQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116399; PubChem:CID66762173
|
Local ready
Direct docking supported
|
|
E3L004614
BDB004614
|
BDBM116400
COc1ccc(CC(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C25H23N5O3 441.491000 |
CQWDYSWFCLLWSI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116400; PubChem:CID66763863
|
Local ready
Direct docking supported
|
|
E3L004615
BDB004615
|
BDBM116401
NC(=O)c1cccc2c(N[C@H](Cn3ccnn3)c3ccccc3)ncnc12
|
C19H17N7O 359.393000 |
NHQSHEYVOTVFJW-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116401; PubChem:CID66763318
|
Local ready
Direct docking supported
|
|
E3L004616
BDB004616
|
BDBM116402
COc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(C(F)(F)F)c3)c2c1
|
C18H14ClF3N4O2 410.783000 |
LYVAUQAZKOULMJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116402; PubChem:CID66763526
|
Local ready
Direct docking supported
|
|
E3L004617
BDB004617
|
BDBM116403
COCCOc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C19H20N4O3 352.394000 |
GFZHGSPTJMHXMK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116403; PubChem:CID66763206
|
Local ready
Direct docking supported
|
|
E3L004618
BDB004618
|
BDBM116404
NC(=O)c1cccc2c(NCc3cccc(OCCN4CCOCC4)c3)ncnc12
|
C22H25N5O3 407.474000 |
JGZMIULPQJWLGN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116404; PubChem:CID66763232
|
Local ready
Direct docking supported
|
|
E3L004619
BDB004619
|
BDBM116405
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)nc4)c3)ncnc12
|
C22H17ClN6O2 432.871000 |
IWBOFXHEGIMYAM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116405; PubChem:CID87139206
|
Local ready
Direct docking supported
|
|
E3L004620
BDB004620
|
BDBM116406
COc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
|
C18H15F3N4O2 376.338000 |
FTCVWEWECUNCTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116406; PubChem:CID46869027
|
Local ready
Direct docking supported
|