| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005021
BDB005021
|
BDBM116852
NC(=O)c1cccc2c(NC(CCN3CCNCC3)c3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12
|
C29H33N9O2 539.644000 |
KWGUGEXJHZQQOC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116852; PubChem:CID66762026
|
Local ready
Direct docking supported
|
|
E3L005022
BDB005022
|
BDBM116853
CN1CCN(CCC(Nc2ncnc3c(C(N)=O)cccc23)c2cccc(NC(=O)c3cc(C4CC4)n[nH]3)c2)CC1
|
C30H35N9O2 553.671000 |
UIDDBMQHEJVZNK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116853; PubChem:CID66762557
|
Local ready
Direct docking supported
|
|
E3L005023
BDB005023
|
BDBM116854
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCOCC5)c(C(F)(F)F)c4)c3)ncnc12
|
C28H25F3N6O3 550.541000 |
HLGQFYSTVZBBCM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116854; PubChem:CID66762955
|
Local ready
Direct docking supported
|
|
E3L005024
BDB005024
|
BDBM116855
CCOC(=O)c1coc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)n1
|
C22H20N6O4 432.440000 |
XQWJBQQWWOWGQH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116855; PubChem:CID66762747
|
Local ready
Direct docking supported
|
|
E3L005025
BDB005025
|
BDBM116856
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCCCC5=O)cc4)c3)ncnc12
|
C28H26N6O3 494.555000 |
GJSXBANTJATBDM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116856; PubChem:CID66763695
|
Local ready
Direct docking supported
|
|
E3L005026
BDB005026
|
BDBM116857
NC(=O)c1cccc2c(NCc3cccc(Nc4ccc(C5CCNCC5)cn4)c3)ncnc12
|
C26H27N7O 453.550000 |
KBHYLABYBYGUDK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116857; PubChem:CID66763826
|
Local ready
Direct docking supported
|
|
E3L005027
BDB005027
|
BDBM116858
CC(Nc1ncnc2c(C(N)=O)cccc12)C1=CC(NC(=O)C2(C(F)(F)F)CCC2)=CCC1
|
C23H24F3N5O2 459.472000 |
LMBOMGUIBWYBDA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116858; PubChem:CID68078834
|
Local ready
Direct docking supported
|
|
E3L005028
BDB005028
|
BDBM116859
Cc1nc(-c2cccc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2)no1
|
C26H21N7O3 479.500000 |
NVWZWRFWZNYFRS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116859; PubChem:CID66763807
|
Local ready
Direct docking supported
|
|
E3L005029
BDB005029
|
BDBM116860
CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC(F)(F)C2)c1
|
C23H23F2N5O2 439.466000 |
PQSAXJVMRVYGLM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116860; PubChem:CID66763024
|
Local ready
Direct docking supported
|
|
E3L005030
BDB005030
|
BDBM116861
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)F)c1
|
C20H16F5N5O2 453.371000 |
MNGNUDIQTBWWNA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116861; PubChem:CID77014397
|
Local ready
Direct docking supported
|
|
E3L005031
BDB005031
|
BDBM116862
NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(N5CCOCC5)c4)c3)ncnc12
|
C27H26N6O3 482.544000 |
HEMLBLLRLPNMEZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116862; PubChem:CID66762977
|
Local ready
Direct docking supported
|
|
E3L005032
BDB005032
|
BDBM116863
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2ccc(C(F)(F)F)cn2)c1
|
C23H19F3N6O 452.440000 |
OSZWVKNIHJPNFJ-CYBMUJFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116863; PubChem:CID66763471
|
Local ready
Direct docking supported
|
|
E3L005033
BDB005033
|
BDBM116864
CNCc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1
|
C26H26N6O3 470.533000 |
TZUHZWJNQHKCDF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116864; PubChem:CID66763032
|
Local ready
Direct docking supported
|
|
E3L005034
BDB005034
|
BDBM116865
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)Oc2ccccc2)c1
|
C24H21N5O3 427.464000 |
BTZLYPOEWBMAMN-OAHLLOKOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116865; PubChem:CID66763568
|
Local ready
Direct docking supported
|
|
E3L005035
BDB005035
|
BDBM116866
Cn1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c2ccccc21
|
C26H22N6O2 450.502000 |
ZZVOLAFULNRREH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116866; PubChem:CID66763094
|
Local ready
Direct docking supported
|
|
E3L005036
BDB005036
|
BDBM116867
C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2ncc(C(F)(F)F)cc2Cl)c1
|
C23H18ClF3N6O 486.885000 |
URHJZIHVIAKFBP-GFCCVEGCSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116867; PubChem:CID66763278
|
Local ready
Direct docking supported
|
|
E3L005037
BDB005037
|
BDBM116868
N#CCc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1
|
C23H19N7O 409.453000 |
BPXZXMRLFSWKLW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116868; PubChem:CID66762698
|
Local ready
Direct docking supported
|
|
E3L005038
BDB005038
|
BDBM116869
COc1ccc2nc(Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)sc2c1
|
C24H20N6O2S 456.531000 |
DZJJTOUVFUJWPC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116869; PubChem:CID77014398
|
Local ready
Direct docking supported
|
|
E3L005039
BDB005039
|
BDBM116870
NC(=O)c1cccc2c(NCc3cccc(Nc4nc5ccccc5s4)c3)ncnc12
|
C23H18N6OS 426.505000 |
YCKYDQJFSLJBKW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116870; PubChem:CID77014399
|
Local ready
Direct docking supported
|
|
E3L005040
BDB005040
|
BDBM116871
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)C4CC4(F)F)c3)ncnc12
|
C26H28F2N6O2 494.546000 |
ZJWSOACIUSNLET-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116871; PubChem:CID66763506
|
Local ready
Direct docking supported
|