| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057601
BDB057601
|
BDBM50479526
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2cccc(NC(C)=O)c2)cc1
|
C21H22N6O3 406.446000 |
NIZPETVEBKMXKW-WSDLNYQXSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479526; PubChem:CID25223978
|
Local ready
Direct docking supported
|
|
E3L057602
BDB057602
|
BDBM50479527
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccccc2)cc1
|
C19H19N5O2 349.394000 |
RMDSLLJKAVJUJW-UDWIEESQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479527; PubChem:CID25223869
|
Local ready
Direct docking supported
|
|
E3L057603
BDB057603
|
BDBM50479528
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]c3ccccc23)cc1
|
C23H24N6O2 416.485000 |
LPKFQRWENWIWJE-LGJNPRDNSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479528; PubChem:CID25224082
|
Local ready
Direct docking supported
|
|
E3L057604
BDB057604
|
BDBM50479529
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCc2ccc(OC)cc2)cc1
|
C22H25N5O3 407.474000 |
AHQMYCCVYMPCKR-ZVHZXABRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479529; PubChem:CID25223875
|
Local ready
Direct docking supported
|
|
E3L057605
BDB057605
|
BDBM50479530
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)OCc2ccccc2)cc1
|
C20H20N4O3 364.405000 |
ZLJYXNYGTKUILY-CIAFOILYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479530; PubChem:CID25224079
|
Local ready
Direct docking supported
|
|
E3L057606
BDB057606
|
BDBM50479531
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCc2cccnc2)cc1
|
C20H22N6O2 378.436000 |
WRZSIOZIRUBDPY-YDZHTSKRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479531; PubChem:CID25223871
|
Local ready
Direct docking supported
|
|
E3L057607
BDB057607
|
BDBM50479532
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)N(C)Cc2ccccc2)cc1
|
C21H23N5O2 377.448000 |
XVWYJGPNTXPNDJ-LPYMAVHISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479532; PubChem:CID25224081
|
Local ready
Direct docking supported
|
|
E3L057608
BDB057608
|
BDBM50479533
COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCc2c[nH]cn2)cc1
|
C18H21N7O2 367.413000 |
STCQVEWHVZVJQS-LSFURLLWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479533; PubChem:CID25223872
|
Local ready
Direct docking supported
|
|
E3L057609
BDB057609
|
BDBM50479534
CCOC(=O)c1c(C)n[nH]c1N/N=C/c1ccc(OC)cc1
|
C15H18N4O3 302.334000 |
RAGRMJMTNYFOEM-CXUHLZMHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50479534; PubChem:CID9566394
|
Local ready
Direct docking supported
|
|
E3L057610
BDB057610
|
alterporriol G/H
COc1cc2c(c(O)c1-c1c(OC)cc(O)c3c1C(=O)C1=C(C3=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O)C(=O)c1cc(O)c(C)cc1C2=O
|
C32H26O13 618.547000 |
WNKYPOGUIDZODB-BVEPWEIPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50480482; PubChem:CID42639664
|
Local ready
Direct docking supported
|
|
E3L057611
BDB057611
|
1,2,8-Trihydroxy-6-methoxy-3-methylanthraquinone
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O)c(O)c1C2=O
|
C16H12O6 300.266000 |
IOPGGNYCFGEWPF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50480483; PubChem:CID177458
|
Local ready
Direct docking supported
|
|
E3L057612
BDB057612
|
Macrosporin
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O)cc1C2=O
|
C16H12O5 284.267000 |
FKTPLNFTYJEAAB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50480484; PubChem:CID159926
|
Local ready
Direct docking supported
|
|
E3L057613
BDB057613
|
Altersolanol A
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O
|
C16H16O8 336.296000 |
VSMBLBOUQJNJIL-JJXSEGSLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50480485; PubChem:CID89644
|
Local ready
Direct docking supported
|
|
E3L057614
BDB057614
|
BDBM50481596
COc1ccc2oc(=O)c(C(=O)NCc3cn(CCCCP(=O)(F)OC)nn3)cc2c1
|
C19H22FN4O6P 452.379000 |
AMRPBXMDSXZMHW-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50481596; PubChem:CID46231172
|
Local ready
Direct docking supported
|
|
E3L057615
BDB057615
|
BDBM50481597
COP(=O)(F)CCCCn1cc(CNS(=O)(=O)c2ccc(C3=c4cc5c6c(c4Oc4c3cc3c7c4CCCN7CCC3)CCC[N+]=6CCC5)c(S(=O)(=O)[O-])c2)nn1
|
C39H44FN6O8PS2 838.921000 |
OXFRMEXLWLRVLP-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM50481597
|
Local ready
Direct docking supported
|
|
E3L057616
BDB057616
|
BDBM50481598
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCCCP(=O)(F)OC)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
|
C35H44FN6O8PS2 790.877000 |
MDVAJVZQHDPYHR-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50481598; PubChem:CID46877571
|
Local ready
Direct docking supported
|
|
E3L057617
BDB057617
|
1-Azido-4-[fluoro(methoxy)phosphoryl]butane
COP(=O)(F)CCCCN=[N+]=[N-]
|
C5H11FN3O2P 195.134000 |
SYTSRWTXBVNHMW-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50481599; PubChem:CID46231038
|
Local ready
Direct docking supported
|
|
E3L057618
BDB057618
|
BDBM50481600
COP(=O)(F)CCCn1cc(CNS(=O)(=O)c2cccc3c(N(C)C)cccc23)nn1
|
C19H25FN5O4PS 469.479000 |
NLDSCPRIANOXLQ-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50481600; PubChem:CID46216718
|
Local ready
Direct docking supported
|
|
E3L057619
BDB057619
|
BDBM50481601
COP(=O)(F)CCCCn1cc(CNS(=O)(=O)c2ccc(/N=N/c3ccc(N(C)C)cc3)cc2)nn1
|
C22H29FN7O4PS 537.558000 |
TVTLJNZVFKNGDY-OCEACIFDSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB
BindingDB:BDBM50481601
|
Local ready
Direct docking supported
|
|
E3L057620
BDB057620
|
BDBM50481602
CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCCP(=O)(F)OC)nn3)cc2c1
|
C21H27FN5O5P 479.449000 |
LOANPEJCMDITAG-UHFFFAOYSA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50481602; PubChem:CID46231097
|
Local ready
Direct docking supported
|