| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004541
BDB004541
|
BDBM116324
Cc1ccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)cc1
|
C18H19N5O 321.384000 |
QVHGKNYBLQTWEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116324; PubChem:CID46869308
|
Local ready
Direct docking supported
|
|
E3L004542
BDB004542
|
4-(Piperidin-3-ylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NC3CCCNC3)ncnc12
|
C14H17N5O 271.324000 |
KSEOCBPOIBIESZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116326; PubChem:CID66762545
|
Local ready
Direct docking supported
|
|
E3L004543
BDB004543
|
4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide
NC(=O)c1cccc2c(N[C@H]3CCCNC3)ncnc12
|
C14H17N5O 271.324000 |
KSEOCBPOIBIESZ-VIFPVBQESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116327; PubChem:CID66762544
|
Local ready
Direct docking supported
|
|
E3L004544
BDB004544
|
4-(Piperidin-4-ylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NC3CCNCC3)ncnc12
|
C14H17N5O 271.324000 |
IOJFIYXWBKDYPM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116328; PubChem:CID66763925
|
Local ready
Direct docking supported
|
|
E3L004545
BDB004545
|
4-(Piperidin-4-ylmethylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCC3CCNCC3)ncnc12
|
C15H19N5O 285.351000 |
FNCLOHCGLRKLHS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116329; PubChem:CID66762741
|
Local ready
Direct docking supported
|
|
E3L004546
BDB004546
|
BDBM116330
NC(=O)c1cccc2c(N[C@H]3CCCNC3)c(C(=O)O)cnc12
|
C16H18N4O3 314.345000 |
TZPWXDOJVQBJHE-VIFPVBQESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116330; PubChem:CID66763911
|
Local ready
Direct docking supported
|
|
E3L004547
BDB004547
|
BDBM116331
COc1cccc(C(CN)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C18H19N5O2 337.383000 |
YCUXZFDOLJQXOU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116331; PubChem:CID46869907
|
Local ready
Direct docking supported
|
|
E3L004548
BDB004548
|
BDBM116332
NCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)cc2)c1
|
C24H21FN6O2 444.470000 |
UUKGDBLVFLHJLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116332; PubChem:CID46869704
|
Local ready
Direct docking supported
|
|
E3L004549
BDB004549
|
BDBM116333
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C18H19N5O 321.384000 |
KFUGVCOVSKGHMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116333; PubChem:CID46868884
|
Local ready
Direct docking supported
|
|
E3L004550
BDB004550
|
BDBM116334
N#CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C18H15N5O 317.352000 |
ITZVXMVPGXCHHN-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116334; PubChem:CID66762755
|
Local ready
Direct docking supported
|
|
E3L004551
BDB004551
|
4-[(4-Bromophenyl)methylamino]quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3ccc(Br)cc3)ncnc12
|
C16H13BrN4O 357.211000 |
ONDIGGGYJRDIFY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116335; PubChem:CID66762537
|
Local ready
Direct docking supported
|
|
E3L004552
BDB004552
|
BDBM116336
COc1cc(CNc2cncc3c(C(N)=O)cccc23)cc(OC)c1
|
C19H19N3O3 337.379000 |
TYZWLLLNCLERKU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116336; PubChem:CID68078504
|
Local ready
Direct docking supported
|
|
E3L004553
BDB004553
|
4-(Furan-2-ylmethylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3ccco3)ncnc12
|
C14H12N4O2 268.276000 |
JXCWQMODNUZVKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116337; PubChem:CID66763915
|
Local ready
Direct docking supported
|
|
E3L004554
BDB004554
|
4-(Thiophen-2-ylmethylamino)quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3cccs3)ncnc12
|
C14H12N4OS 284.344000 |
AKGKDYCRRBKPEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116338; PubChem:CID66763305
|
Local ready
Direct docking supported
|
|
E3L004555
BDB004555
|
4-[(3-Bromophenyl)methylamino]quinazoline-8-carboxamide
NC(=O)c1cccc2c(NCc3cccc(Br)c3)ncnc12
|
C16H13BrN4O 357.211000 |
GHPPBFVKOZAUET-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116339; PubChem:CID66763569
|
Local ready
Direct docking supported
|
|
E3L004556
BDB004556
|
BDBM116340
NC(=O)c1cccc2c(NCc3ccc(Oc4ccccc4)cc3)ncnc12
|
C22H18N4O2 370.412000 |
AQTMCKBSYVTCGB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116340; PubChem:CID66763466
|
Local ready
Direct docking supported
|
|
E3L004557
BDB004557
|
BDBM116341
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4F)c3)ncnc12
|
C23H19FN6O2 430.443000 |
SJCISSZWYLCABC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116341; PubChem:CID66763699
|
Local ready
Direct docking supported
|
|
E3L004558
BDB004558
|
BDBM116342
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4ccccc4Cl)c3)ncnc12
|
C23H19ClN6O2 446.898000 |
VGWGJPGDBLUSNW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116342; PubChem:CID66763906
|
Local ready
Direct docking supported
|
|
E3L004559
BDB004559
|
BDBM116343
NC(=O)c1cccc2c(NCc3cccc(NC(=O)Nc4cccc(Cl)c4)c3)ncnc12
|
C23H19ClN6O2 446.898000 |
LWSSWPOGTNYYGE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116343; PubChem:CID66763715
|
Local ready
Direct docking supported
|
|
E3L004560
BDB004560
|
BDBM116344
COc1ccccc1NC(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1
|
C24H22N6O3 442.479000 |
GZZPKHLUNHCCCE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116344; PubChem:CID66763685
|
Local ready
Direct docking supported
|