| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004881
BDB004881
|
BDBM116698
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2F)c1
|
C27H26FN5O4 503.534000 |
DLYWLUNYSQBOLW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116698; PubChem:CID66763334
|
Local ready
Direct docking supported
|
|
E3L004882
BDB004882
|
BDBM116699
COc1ccc(C(O)N=C2C=CCC(CNc3ncnc4c(C(N)=O)cccc34)C2)cc1C
|
C25H27N5O3 445.523000 |
AJBCWROWNACASN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116699; PubChem:CID123985430
|
Local ready
Direct docking supported
|
|
E3L004883
BDB004883
|
BDBM116700
COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C3CC3)n[nH]2)c1
|
C26H27N7O3 485.548000 |
GPYJJUQMUZUDRC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116700; PubChem:CID66762459
|
Local ready
Direct docking supported
|
|
E3L004884
BDB004884
|
BDBM116701
CCCN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
|
C21H25N5O 363.465000 |
JMRKPAKRFAWCSB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116701; PubChem:CID66763396
|
Local ready
Direct docking supported
|
|
E3L004885
BDB004885
|
BDBM116702
NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12
|
C31H30F4N6O2 594.613000 |
GAVSAOOAIYZEHU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116702; PubChem:CID68078774
|
Local ready
Direct docking supported
|
|
E3L004886
BDB004886
|
BDBM116703
CN(C)CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NCc2ccc(Br)cc2)c1
|
C26H27BrN6O 519.447000 |
ZYJPIJHRIXUYCK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116703; PubChem:CID77014383
|
Local ready
Direct docking supported
|
|
E3L004887
BDB004887
|
BDBM116704
NC(=O)c1cccc2c(NCc3ccc(F)c(F)c3)ncnc12
|
C16H12F2N4O 314.295000 |
ITCLWJDUZVZPJH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116704; PubChem:CID66762009
|
Local ready
Direct docking supported
|
|
E3L004888
BDB004888
|
BDBM116705
C=[N+]([O-])c1cccc(C(COC)Nc2ncnc3c(C(N)=O)cccc23)c1
|
C19H19N5O3 365.393000 |
AEUVEBFUSMASLJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116705; PubChem:CID77014384
|
Local ready
Direct docking supported
|
|
E3L004889
BDB004889
|
BDBM116706
COc1cc(C(=O)NC2=CCCC(C(C)Nc3ncnc4c(C(N)=O)cccc34)=C2)ccn1
|
C24H24N6O3 444.495000 |
GRBADRHZGYZJTH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116706; PubChem:CID68078782
|
Local ready
Direct docking supported
|
|
E3L004890
BDB004890
|
BDBM116707
COc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1
|
C23H20N6O3 428.452000 |
LOGBBCVHUWZQRE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116707; PubChem:CID68078784
|
Local ready
Direct docking supported
|
|
E3L004891
BDB004891
|
BDBM116708
Cc1cnc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C23H21N7O2 427.468000 |
PZRFGYNACSHNJL-CQSZACIVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116708; PubChem:CID66764115
|
Local ready
Direct docking supported
|
|
E3L004892
BDB004892
|
BDBM116709
O=C(Nc1cccc(C(CCN2CCCC2)NC2=NC=NC=CCCC=C2)c1)C1=C(F)C=CCC1F
|
C28H33F2N5O 493.602000 |
BZJOCZCFTSVKLT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116709; PubChem:CID137078396
|
Local ready
Direct docking supported
|
|
E3L004893
BDB004893
|
BDBM116710
CN1CCN(c2ccc(NC(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)cc2)CC1
|
C28H30N8O2 510.602000 |
FHUWKHABHJSQGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116710; PubChem:CID68078730
|
Local ready
Direct docking supported
|
|
E3L004894
BDB004894
|
BDBM116711
NC(=O)c1cccc2c(N3CCc4ccc([N+](=O)[O-])cc4C3)ncnc12
|
C18H15N5O3 349.350000 |
KTNNXZYOZQDUKN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116711; PubChem:CID66763123
|
Local ready
Direct docking supported
|
|
E3L004895
BDB004895
|
BDBM116712
CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccn2C)c1
|
C23H22N6O2 414.469000 |
UZEGEPCLJOWZGN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116712; PubChem:CID66763937
|
Local ready
Direct docking supported
|
|
E3L004896
BDB004896
|
BDBM116713
NC(=O)c1cccc2c(NC(CCN3CCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12
|
C29H28F2N6O2 530.579000 |
WYACPHRPKYXVTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116713; PubChem:CID66763169
|
Local ready
Direct docking supported
|
|
E3L004897
BDB004897
|
BDBM116714
COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1
|
C23H20N6O3 428.452000 |
CWBIOTBDHJUHCV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116714; PubChem:CID66763406
|
Local ready
Direct docking supported
|
|
E3L004898
BDB004898
|
BDBM116715
NC(=O)c1cccc2c(NC(CCO)c3cccc([N+](=O)[O-])c3)ncnc12
|
C18H17N5O4 367.365000 |
IONRIYXEGHCPEC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116715; PubChem:CID68096381
|
Local ready
Direct docking supported
|
|
E3L004899
BDB004899
|
BDBM116716
COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F
|
C25H22FN5O3 459.481000 |
WACBDIUIBDYGCE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116716; PubChem:CID66763266
|
Local ready
Direct docking supported
|
|
E3L004900
BDB004900
|
BDBM116717
CCN(CC)c1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1
|
C28H30N6O2 482.588000 |
PUFIZMIVJDQOHA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116717; PubChem:CID66763328
|
Local ready
Direct docking supported
|