| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004701
BDB004701
|
BDBM116488
NC(=O)c1cccc2c(NCc3ccc4occc4c3)ncnc12
|
C18H14N4O2 318.336000 |
WBXAZIHUNVIWMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116488; PubChem:CID66763454
|
Local ready
Direct docking supported
|
|
E3L004702
BDB004702
|
BDBM116489
NC(=O)c1cccc2c(NCc3cccc(C(F)(F)F)c3)ccnc12
|
C18H14F3N3O 345.324000 |
VNLDWMOEKZFKDP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116489; PubChem:CID66762476
|
Local ready
Direct docking supported
|
|
E3L004703
BDB004703
|
4-[[(1R)-1-phenylethyl]amino]quinazoline-8-carboxamide
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C17H16N4O 292.342000 |
IDOIWFPLBQQGRQ-LLVKDONJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116490; PubChem:CID66762210
|
Local ready
Direct docking supported
|
|
E3L004704
BDB004704
|
BDBM116491
NC(=O)c1cc(N)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C17H13ClF3N5O 395.772000 |
WGGOYMCUJRCWRJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116491; PubChem:CID66763131
|
Local ready
Direct docking supported
|
|
E3L004705
BDB004705
|
BDBM116492
CC(=O)Nc1cc(C(N)=O)c2ncnc(NCc3ccc(Cl)c(C(F)(F)F)c3)c2c1
|
C19H15ClF3N5O2 437.809000 |
KUQUNHFTYSHCGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116492; PubChem:CID66763483
|
Local ready
Direct docking supported
|
|
E3L004706
BDB004706
|
BDBM116493
NC(=O)c1cc(NS(=O)(=O)c2ccccc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C23H17ClF3N5O3S 535.935000 |
SQWKVRCMSVVAMH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116493; PubChem:CID66762751
|
Local ready
Direct docking supported
|
|
E3L004707
BDB004707
|
BDBM116494
NC(=O)c1cc(NC(=O)Nc2ccccc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C24H18ClF3N6O2 514.895000 |
FZSXSUDDTCOEAM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116494; PubChem:CID66763390
|
Local ready
Direct docking supported
|
|
E3L004708
BDB004708
|
BDBM116495
NC(=O)c1cc(NC(=O)c2ccncc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C23H16ClF3N6O2 500.868000 |
OSLOTHHIYWJTNJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116495; PubChem:CID66762611
|
Local ready
Direct docking supported
|
|
E3L004709
BDB004709
|
BDBM116496
NC(=O)c1cc(NC(=O)CCc2ccccc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C26H21ClF3N5O2 527.934000 |
KKZQNCOLMGPIIW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116496; PubChem:CID66763557
|
Local ready
Direct docking supported
|
|
E3L004710
BDB004710
|
BDBM116497
NC(=O)c1cc(NCc2ccccc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C24H19ClF3N5O 485.897000 |
IWGYPGXQFYEHLX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116497; PubChem:CID66763136
|
Local ready
Direct docking supported
|
|
E3L004711
BDB004711
|
BDBM116498
NC(=O)c1cc(NC(=O)c2ccno2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C21H14ClF3N6O3 490.829000 |
BIJNMRPWVYOPRJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116498; PubChem:CID66763185
|
Local ready
Direct docking supported
|
|
E3L004712
BDB004712
|
BDBM116499
NC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)F)cc2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C24H16ClF4N5O4S 581.935000 |
LOAVESSHNMDODA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116499; PubChem:CID77014378
|
Local ready
Direct docking supported
|
|
E3L004713
BDB004713
|
BDBM116500
NC(=O)c1cc(NC(=O)c2cnc3ccccc3n2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C26H17ClF3N7O2 551.916000 |
XEHVRBAZICPIHG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116500; PubChem:CID66763322
|
Local ready
Direct docking supported
|
|
E3L004714
BDB004714
|
BDBM116501
NC(=O)c1cc(NC(=O)Cc2cccs2)cc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12
|
C23H17ClF3N5O2S 519.936000 |
LNEYYJVDUIEFAD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116501; PubChem:CID66762938
|
Local ready
Direct docking supported
|
|
E3L004715
BDB004715
|
BDBM116502
NC(=O)c1cccc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc12
|
C21H16ClN5O2 405.845000 |
RFRNMKYBLYLNMO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116502; PubChem:CID66763375
|
Local ready
Direct docking supported
|
|
E3L004716
BDB004716
|
BDBM116503
CNCC(Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1ccccc1
|
C19H21N5O2 351.410000 |
UVOCNINDPZNPIC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116503; PubChem:CID46869311
|
Local ready
Direct docking supported
|
|
E3L004717
BDB004717
|
BDBM116504
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(C(F)(F)F)cc1
|
C20H20F3N5O 403.408000 |
ZJDZJPZEQDNRHD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116504; PubChem:CID46869312
|
Local ready
Direct docking supported
|
|
E3L004718
BDB004718
|
BDBM116505
CNC[C@H](N=C1NC=NC2C=CCC=C12)c1ccccc1
|
C17H20N4 280.375000 |
RWOKWMSYJITVKH-LYKKTTPLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116505; PubChem:CID136277828
|
Local ready
Direct docking supported
|
|
E3L004719
BDB004719
|
BDBM116506
CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1
|
C18H17Cl2N5O 390.274000 |
BYUUFRNHCFTPTI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116506; PubChem:CID46869314
|
Local ready
Direct docking supported
|
|
E3L004720
BDB004720
|
BDBM116507
COc1cc(C(N)=O)c2ncnc(N[C@H](CN)c3ccccc3)c2c1
|
C18H19N5O2 337.383000 |
HNAFGFOVDGEYQN-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116507; PubChem:CID46869380
|
Local ready
Direct docking supported
|