| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004561
BDB004561
|
BDBM116345
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(F)c4)c3)ncnc12
|
C23H19FN6O2 430.443000 |
MYNMWFXSBRRDCA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116345; PubChem:CID66763445
|
Local ready
Direct docking supported
|
|
E3L004562
BDB004562
|
BDBM116346
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccc(F)cc4)c3)ncnc12
|
C23H19FN6O2 430.443000 |
OFTIZDTZFPOARU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116346; PubChem:CID66762229
|
Local ready
Direct docking supported
|
|
E3L004563
BDB004563
|
BDBM116347
NC(=O)c1cccc2c(NCc3cc(F)cc(F)c3)ncnc12
|
C16H12F2N4O 314.295000 |
SXRUTBTWKQVBSM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116347; PubChem:CID66763104
|
Local ready
Direct docking supported
|
|
E3L004564
BDB004564
|
BDBM116348
CC(C)NC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C20H22N6O2 378.436000 |
AZXGLCRHYDZCNX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116348; PubChem:CID66763168
|
Local ready
Direct docking supported
|
|
E3L004565
BDB004565
|
BDBM116349
CS(=O)(=O)c1ccc(CNc2ncnc3c(C(N)=O)cccc23)cc1
|
C17H16N4O3S 356.407000 |
VCQOVNIEIZUWRP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116349; PubChem:CID66762521
|
Local ready
Direct docking supported
|
|
E3L004566
BDB004566
|
6-Acetamido-4-(benzylamino)quinazoline-8-carboxamide
CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccccc3)c2c1
|
C18H17N5O2 335.367000 |
PBZOQJHQALJMOK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116350; PubChem:CID66763428
|
Local ready
Direct docking supported
|
|
E3L004567
BDB004567
|
4-[(2-Bromophenyl)methylamino]quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3ccccc3Br)ncnc12
|
C16H13BrN4O 357.211000 |
XBWRYZUAYNGMPJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116351; PubChem:CID66762958
|
Local ready
Direct docking supported
|
|
E3L004568
BDB004568
|
4,6-Bis(benzylamino)quinazoline-8-carboxamide
NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccccc3)ncnc12
|
C23H21N5O 383.455000 |
JYDSEGZTNXCIFP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116352; PubChem:CID66763996
|
Local ready
Direct docking supported
|
|
E3L004569
BDB004569
|
BDBM116353
COc1cccc(NC(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C24H22N6O3 442.479000 |
PBJHKZPUKFVIQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116353; PubChem:CID66763712
|
Local ready
Direct docking supported
|
|
E3L004570
BDB004570
|
BDBM116354
NC(=O)c1cccc2c(NCc3cccc(NC(=O)NC(=O)c4ccccc4)c3)ncnc12
|
C24H20N6O3 440.463000 |
XMKPDQSYIWBQMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116354; PubChem:CID66763042
|
Local ready
Direct docking supported
|
|
E3L004571
BDB004571
|
BDBM116355
CCNC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C19H20N6O2 364.409000 |
FSUVJWUSZKBNJB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116355; PubChem:CID66763768
|
Local ready
Direct docking supported
|
|
E3L004572
BDB004572
|
BDBM116356
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c3)ncnc12
|
C24H19F3N6O2 480.450000 |
OMRJINYFYIBLSF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116356; PubChem:CID66763701
|
Local ready
Direct docking supported
|
|
E3L004573
BDB004573
|
BDBM116357
NC(=O)c1cccc2c(N[C@@H]3CCCc4ccccc43)ncnc12
|
C19H18N4O 318.380000 |
SEXFFDCSBOQVFF-MRXNPFEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116357; PubChem:CID66762925
|
Local ready
Direct docking supported
|
|
E3L004574
BDB004574
|
BDBM116358
NC(=O)c1cccc2c(N[C@H]3c4ccccc4C[C@H]3O)ncnc12
|
C18H16N4O2 320.352000 |
LDWUGOGMKZMKJJ-ZBFHGGJFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116358; PubChem:CID66763573
|
Local ready
Direct docking supported
|
|
E3L004575
BDB004575
|
BDBM116359
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc2ccccc12
|
C21H18N4O 342.402000 |
CITUHDBZOGJAEN-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116359; PubChem:CID66763055
|
Local ready
Direct docking supported
|
|
E3L004576
BDB004576
|
BDBM116360
NC(=O)c1cc(NCc2cccnc2)cc2c(NCc3ccccc3)ncnc12
|
C22H20N6O 384.443000 |
WLTDEXQRZVQJTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116360; PubChem:CID66763189
|
Local ready
Direct docking supported
|
|
E3L004577
BDB004577
|
BDBM116361
NC(=O)c1cccc2c(N[C@@H](CO)c3ccccc3)ncnc12
|
C17H16N4O2 308.341000 |
QBHMKNUMBCLWBB-AWEZNQCLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116361; PubChem:CID66763629
|
Local ready
Direct docking supported
|
|
E3L004578
BDB004578
|
BDBM116362
NC(=O)c1cc(NCc2ncc[nH]2)cc2c(NCc3ccccc3)ncnc12
|
C20H19N7O 373.420000 |
NJBDAZRNQDOCFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116362; PubChem:CID66763463
|
Local ready
Direct docking supported
|
|
E3L004579
BDB004579
|
BDBM116363
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccc(Cl)cc4)c3)ncnc12
|
C23H19ClN6O2 446.898000 |
FMVOHEIVPWGQQI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116363; PubChem:CID66763429
|
Local ready
Direct docking supported
|
|
E3L004580
BDB004580
|
BDBM116364
NC(=O)c1cccc2c(NCc3cccc(C(=O)Nc4ccccc4)c3)ncnc12
|
C23H19N5O2 397.438000 |
ZYLPQGAODKGWCM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116364; PubChem:CID66763563
|
Local ready
Direct docking supported
|