| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053301
BDB053301
|
BDBM50345194
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COC2=CC3C(=CC=CN3CCCO)C=C2)cc1
|
C34H41N3O6 587.717000 |
BSWXEYZBVSQHOV-UYEDPJPISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50345194; PubChem:CID137349903
|
Local ready
Direct docking supported
|
|
E3L053302
BDB053302
|
BDBM50345579
CNC(=O)c1ncc(C#Cc2cc(C(=O)Nc3ccc(CN4CCN(CCO)CC4)c(C(F)(F)F)c3)ccc2C)n1C
|
C30H33F3N6O3 582.627000 |
SUXYGJZMCWKJJI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50345579; PubChem:CID46864270
|
Local ready
Direct docking supported
|
|
E3L053303
BDB053303
|
BDBM50345623
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O
|
C23H34N5O10P 571.524000 |
JKRMLYVVJPGAFG-RUZYHRDJSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345623
|
Local ready
Direct docking supported
|
|
E3L053304
BDB053304
|
BDBM50345624
CC(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O
|
C25H35N5O8 533.582000 |
FKDGBBVJGJYZSZ-WMJIZHEVSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345624; PubChem:CID54586267
|
Local ready
Direct docking supported
|
|
E3L053305
BDB053305
|
BDBM50345625
CC(=O)N[C@@H](CC(C(=O)O)C(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O
|
C26H35N5O10 577.591000 |
TUTWMQDMENZZFY-OZBNKPLUSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345625; PubChem:CID53310281
|
Local ready
Direct docking supported
|
|
E3L053306
BDB053306
|
BDBM50345626
CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O)[C@@H](C)OP(=O)(O)O
|
C24H36N5O10P 585.551000 |
IEDUCEWNKCTXHA-GMZFERAJSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345626
|
Local ready
Direct docking supported
|
|
E3L053307
BDB053307
|
BDBM50345627
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@@H](C)O
|
C21H32N5O10P 545.486000 |
ZAWSZEMYLTVTJV-GVDRCSPZSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345627
|
Local ready
Direct docking supported
|
|
E3L053308
BDB053308
|
BDBM50345628
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C22H32N5O9P 541.498000 |
WNJAUHOSXDVFEM-MGHWNKPDSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345628; PubChem:CID53310284
|
Local ready
Direct docking supported
|
|
E3L053309
BDB053309
|
BDBM50345629
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C
|
C24H36N5O9P 569.552000 |
IWNVSMDZIXWGCJ-MUGJNUQGSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345629; PubChem:CID53310285
|
Local ready
Direct docking supported
|
|
E3L053310
BDB053310
|
BDBM50345630
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C22H32N5O10P 557.497000 |
PURWGEZEOJNCDO-XSLAGTTESA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345630
|
Local ready
Direct docking supported
|
|
E3L053311
BDB053311
|
BDBM50345631
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)(O)O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C25H38N5O9P 583.579000 |
YGQLHBBLHAXKIS-JMMIECQRSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345631
|
Local ready
Direct docking supported
|
|
E3L053312
BDB053312
|
BDBM50345632
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C25H38N5O9P 583.579000 |
IQWJFSGEHQESEA-TUFLPTIASA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345632
|
Local ready
Direct docking supported
|
|
E3L053313
BDB053313
|
BDBM50345633
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(Cc1ccc2ccccc2c1)C(N)=O)[C@@H](C)O
|
C27H36N5O10P 621.584000 |
ILURQPNDVVBIDU-GMPPNZPMSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345633
|
Local ready
Direct docking supported
|
|
E3L053314
BDB053314
|
BDBM50345634
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NC(Cc1cccc2ccccc12)C(N)=O)[C@@H](C)O
|
C27H36N5O10P 621.584000 |
YZPWVLRUFJPKLM-GMPPNZPMSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345634
|
Local ready
Direct docking supported
|
|
E3L053315
BDB053315
|
BDBM50345635
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O
|
C23H34N5O11P 587.523000 |
WTGXUZBOJAWDBA-WYIQVNFWSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345635
|
Local ready
Direct docking supported
|
|
E3L053316
BDB053316
|
BDBM50345636
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C20H30N5O9P 515.460000 |
DEUUAYYUCBSPIE-APYUEPQZSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345636; PubChem:CID53310567
|
Local ready
Direct docking supported
|
|
E3L053317
BDB053317
|
BDBM50345637
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C24H34N5O9P 567.536000 |
CCAOERVBYOHJMK-MUGJNUQGSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345637; PubChem:CID53310568
|
Local ready
Direct docking supported
|
|
E3L053318
BDB053318
|
Ac-D-Phe-D-Thr-D-Ala-D-Ser(PO3H2)-NH2
CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](C)C(=O)N[C@H](COP(=O)(O)O)C(N)=O)[C@H](C)O
|
C21H32N5O10P 545.486000 |
WZJFYJAFGBGTOP-QMWOBKFGSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345638; PubChem:CID53310569
|
Local ready
Direct docking supported
|
|
E3L053319
BDB053319
|
BDBM50345639
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)COP(=O)(O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C21H32N5O9P 529.487000 |
RBXKAMVQMOBSSO-VFTHGPRRSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB
BindingDB:BDBM50345639
|
Local ready
Direct docking supported
|
|
E3L053320
BDB053320
|
BDBM50345640
CC(=O)N[C@@H](COP(=O)(O)O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
|
C23H33N4O11P 572.508000 |
OUZKGDVFUKUREZ-RUZYHRDJSA-N | P38398 | Breast cancer type 1 susceptibility protein |
BindingDB, PubChem
BindingDB:BDBM50345640; PubChem:CID53310710
|
Local ready
Direct docking supported
|