| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054881
BDB054881
|
BDBM50389246
Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3cccc4onc(N)c34)c2)cc1
|
C23H21N5O3 415.453000 |
GTZZCMNHEPBQEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389246; PubChem:CID25175482
|
Local ready
Direct docking supported
|
|
E3L054882
BDB054882
|
BDBM50389247
NCc1cccc(NC(=O)c2cccc3onc(N)c23)c1
|
C15H14N4O2 282.303000 |
RYNJZHXTYYORJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389247; PubChem:CID25175327
|
Local ready
Direct docking supported
|
|
E3L054883
BDB054883
|
BDBM50389248
Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
|
C21H16FN5O3 405.389000 |
OTHGCBQMJAZUIO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389248; PubChem:CID25176588
|
Local ready
Direct docking supported
|
|
E3L054884
BDB054884
|
BDBM50389249
Nc1noc2cccc(C(=O)Nc3cccc(CC(=O)Nc4cccc(F)c4)c3)c12
|
C22H17FN4O3 404.401000 |
HMILTXGBKHOTFE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389249; PubChem:CID70696941
|
Local ready
Direct docking supported
|
|
E3L054885
BDB054885
|
BDBM50389250
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(Cl)c4)c3)c12
|
C21H18ClN7O2 435.875000 |
ZRTDVTOMXDEXHC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389250; PubChem:CID44518365
|
Local ready
Direct docking supported
|
|
E3L054886
BDB054886
|
BDBM50389251
Cn1nc(N)c2c(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)cccc21
|
C24H21F3N6O2 482.466000 |
CNQZSPANPDHALU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389251; PubChem:CID25175157
|
Local ready
Direct docking supported
|
|
E3L054887
BDB054887
|
BDBM50389252
Cc1cccc(NC(=O)Nc2ccc(NC(=O)c3ccn4ncnc(N)c34)cc2)c1
|
C21H19N7O2 401.430000 |
GVHVALQJSOXQPV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389252; PubChem:CID44520407
|
Local ready
Direct docking supported
|
|
E3L054888
BDB054888
|
BDBM50389253
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)c12
|
C22H18ClN5O3 435.871000 |
DCGHMEHENRBEDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389253; PubChem:CID25174498
|
Local ready
Direct docking supported
|
|
E3L054889
BDB054889
|
BDBM50389254
Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c12
|
C21H16ClN5O3 421.844000 |
DSGIFSYRDBJSLD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389254; PubChem:CID25176589
|
Local ready
Direct docking supported
|
|
E3L054890
BDB054890
|
BDBM50389256
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12
|
C20H16FN7O2 405.393000 |
YAPXGSJGQVOMEA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389256; PubChem:CID44520206
|
Local ready
Direct docking supported
|
|
E3L054891
BDB054891
|
BDBM50389257
Cc1ccc(NC(=O)Nc2ccc(NC(=O)c3cccc4onc(N)c34)cc2)cc1
|
C22H19N5O3 401.426000 |
CLQXYPGRKPDTES-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389257; PubChem:CID25175951
|
Local ready
Direct docking supported
|
|
E3L054892
BDB054892
|
BDBM50389258
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
|
C21H18FN7O2 419.420000 |
ITHCVKSAZKJITB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389258; PubChem:CID44518360
|
Local ready
Direct docking supported
|
|
E3L054893
BDB054893
|
BDBM50389259
Nc1noc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccccc4F)c3)c12
|
C22H18FN5O3 419.416000 |
VJOVUJWFNANXGU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389259; PubChem:CID25175322
|
Local ready
Direct docking supported
|
|
E3L054894
BDB054894
|
BDBM50389260
Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4cccc(F)c4)c3)c12
|
C22H18FN5O2S 435.484000 |
ZQXHCYUUGYPWJB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389260; PubChem:CID25176267
|
Local ready
Direct docking supported
|
|
E3L054895
BDB054895
|
BDBM50389261
Cc1ccc(NC(=O)NCc2cccc(NC(=O)c3ccn4ncnc(N)c34)c2)cc1
|
C22H21N7O2 415.457000 |
OBNJJMRMHFJKPW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389261; PubChem:CID44518503
|
Local ready
Direct docking supported
|
|
E3L054896
BDB054896
|
BDBM50389262
Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)c12
|
C21H18ClN7O2 435.875000 |
MGNAPJSCPJHUFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389262; PubChem:CID44518504
|
Local ready
Direct docking supported
|
|
E3L054897
BDB054897
|
BDBM50389263
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)NC4CCCC4)cc3)c12
|
C19H21N7O2 379.424000 |
YBNKCSHNICXYCG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389263; PubChem:CID44520577
|
Local ready
Direct docking supported
|
|
E3L054898
BDB054898
|
BDBM50389264
Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(F)c(F)c4)c3)c12
|
C22H17F2N5O2S 453.474000 |
RGPWYKMLXGHNCZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389264; PubChem:CID70684384
|
Local ready
Direct docking supported
|
|
E3L054899
BDB054899
|
BDBM50389265
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccsc4)cc3)c12
|
C18H15N7O2S 393.432000 |
JBYKCUNHSBWUPW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389265; PubChem:CID44520578
|
Local ready
Direct docking supported
|
|
E3L054900
BDB054900
|
BDBM50389266
Nc1nsc2cccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(C(F)(F)F)cc4)c3)c12
|
C23H18F3N5O2S 485.491000 |
KVUCPVKYUNFTDC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50389266; PubChem:CID25176269
|
Local ready
Direct docking supported
|