| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004981
BDB004981
|
BDBM116812
NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(O)c4cc(C5CC5)n[nH]4)c3)ncnc12
|
C25H27N7O3 473.537000 |
NYBHCJRGCVHVFH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116812; PubChem:CID68078794
|
Local ready
Direct docking supported
|
|
E3L004982
BDB004982
|
BDBM116813
NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12
|
C21H18N6O 370.416000 |
XWICEOXKSZMQJY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116813; PubChem:CID66763561
|
Local ready
Direct docking supported
|
|
E3L004983
BDB004983
|
BDBM116814
NC(=O)c1cccc2c(NCc3cccc(Nc4cc(C(F)(F)F)ccn4)c3)ncnc12
|
C22H17F3N6O 438.413000 |
ZRUPMAVIQIYFBJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116814; PubChem:CID66761998
|
Local ready
Direct docking supported
|
|
E3L004984
BDB004984
|
BDBM116815
CCOC(=O)c1cnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)s1
|
C22H20N6O3S 448.508000 |
RNGULOLZVZHPCT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116815; PubChem:CID77014394
|
Local ready
Direct docking supported
|
|
E3L004985
BDB004985
|
BDBM116816
COc1ccc(C(=O)Nc2cccc(C(CCCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C27H27N5O4 485.544000 |
CULKZYMOQOURDY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116816; PubChem:CID66763084
|
Local ready
Direct docking supported
|
|
E3L004986
BDB004986
|
BDBM116817
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5cc[nH]c5c4)c3)ncnc12
|
C25H20N6O2 436.475000 |
GAYGXAVVUUFRDW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116817; PubChem:CID66763796
|
Local ready
Direct docking supported
|
|
E3L004987
BDB004987
|
BDBM116818
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC2(F)F)c1
|
C21H19F2N5O2 411.412000 |
VQTZMSIOEYJERT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116818; PubChem:CID66762674
|
Local ready
Direct docking supported
|
|
E3L004988
BDB004988
|
BDBM116819
NC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12
|
C19H16N6OS 376.445000 |
PJXUDKNHESNHGD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116819; PubChem:CID77014395
|
Local ready
Direct docking supported
|
|
E3L004989
BDB004989
|
BDBM116820
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cn[nH]c4N)c3)ncnc12
|
C20H18N8O2 402.418000 |
YXUPBHOIGGKRNR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116820; PubChem:CID66763178
|
Local ready
Direct docking supported
|
|
E3L004990
BDB004990
|
BDBM116821
COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1
|
C27H27N5O4 485.544000 |
IHDFFGIONOKCLR-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116821; PubChem:CID68081685
|
Local ready
Direct docking supported
|
|
E3L004991
BDB004991
|
BDBM116822
NCc1cnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)s1
|
C20H19N7OS 405.487000 |
HTRVDWTYRAEJCW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116822; PubChem:CID77014396
|
Local ready
Direct docking supported
|
|
E3L004992
BDB004992
|
BDBM116823
N#Cc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C22H17N7O 395.426000 |
LHDWVUBCEIVHFK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116823; PubChem:CID66763079
|
Local ready
Direct docking supported
|
|
E3L004993
BDB004993
|
BDBM116824
COc1ccc(C(O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2F)cc1
|
C24H22FN5O3 447.470000 |
QOEKHRASAUNKBZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116824; PubChem:CID68081700
|
Local ready
Direct docking supported
|
|
E3L004994
BDB004994
|
BDBM116825
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4[nH]nc5c4CCCC5)c3)ncnc12
|
C24H23N7O2 441.495000 |
BBNMVNJADAIHAK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116825; PubChem:CID66763288
|
Local ready
Direct docking supported
|
|
E3L004995
BDB004995
|
BDBM116826
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc5cc[nH]c45)c3)ncnc12
|
C25H20N6O2 436.475000 |
HUVNBIDXKQDLJF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116826; PubChem:CID66763899
|
Local ready
Direct docking supported
|
|
E3L004996
BDB004996
|
BDBM116827
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(-c5ncc[nH]5)cc4)c3)ncnc12
|
C26H21N7O2 463.501000 |
JYUQCOURFHGOMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116827; PubChem:CID66763542
|
Local ready
Direct docking supported
|
|
E3L004997
BDB004997
|
BDBM116828
Cc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccc1N1CCOCC1
|
C28H28N6O3 496.571000 |
HYBDRLATORKZNI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116828; PubChem:CID66763964
|
Local ready
Direct docking supported
|
|
E3L004998
BDB004998
|
BDBM116829
CNCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(O)c2cc(C3CC3)n[nH]2)c1
|
C26H30N8O2 486.580000 |
FFNTYBYFCVUFMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116829; PubChem:CID68078814
|
Local ready
Direct docking supported
|
|
E3L004999
BDB004999
|
BDBM116830
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12
|
C29H32N8O2 524.629000 |
GBUFYIYCFQABTC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116830; PubChem:CID66763530
|
Local ready
Direct docking supported
|
|
E3L005000
BDB005000
|
BDBM116831
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc5cc(Cl)ccc5[nH]4)c3)ncnc12
|
C25H19ClN6O2 470.920000 |
IQOPFIMNXFGCJR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116831; PubChem:CID66763333
|
Local ready
Direct docking supported
|