| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050321
BDB050321
|
BDBM50264476
CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(Br)cc3)C2)c1)C(=O)O
|
C20H20BrNO4 418.287000 |
YPGXXPHPVGKPLW-GGYWPGCISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264476; PubChem:CID25116021
|
Local ready
Direct docking supported
|
|
E3L050322
BDB050322
|
BDBM50264481
O=C(Nc1ncco1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5ncco5)cnc34)cccc2c1
|
C26H16N6O4S2 540.586000 |
XABQDVKTPWAYAO-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264481; PubChem:CID126599605
|
Local ready
Direct docking supported
|
|
E3L050323
BDB050323
|
BDBM50264482
COC(=O)CNC(=O)c1cnc2c(SSc3cccc4cc(C(=O)NCC(=O)OC)cnc34)cccc2c1
|
C26H22N4O6S2 550.618000 |
KWDAVAFOLMHSLD-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264482; PubChem:CID137644814
|
Local ready
Direct docking supported
|
|
E3L050324
BDB050324
|
BDBM50264483
O=C(NCc1cccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5cccs5)cnc34)cccc2c1
|
C30H22N4O2S4 598.800000 |
AEWRJZQAZXRVBK-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264483; PubChem:CID126599632
|
Local ready
Direct docking supported
|
|
E3L050325
BDB050325
|
BDBM50264500
O=C(NCCc1nccs1)c1ccc2c(SSc3cccc4nc(C(=O)NCCc5nccs5)ccc34)cccc2n1
|
C30H24N6O2S4 628.830000 |
ZZWWQLNFHHEYRR-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264500; PubChem:CID137656599
|
Local ready
Direct docking supported
|
|
E3L050326
BDB050326
|
BDBM50264504
CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(I)cc3)C2)c1)C(=O)O
|
C20H20INO4 465.287000 |
MEYWXOFHDKSPPL-GGYWPGCISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264504; PubChem:CID25116250
|
Local ready
Direct docking supported
|
|
E3L050327
BDB050327
|
BDBM50264505
CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(O)cc3)C2)c1)C(=O)O
|
C20H21NO5 355.390000 |
FWRDAAGGAAIUDI-GGYWPGCISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264505; PubChem:CID25116251
|
Local ready
Direct docking supported
|
|
E3L050328
BDB050328
|
BDBM50264506
CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(OS(C)(=O)=O)cc3)C2)c1)C(=O)O
|
C21H23NO7S 433.482000 |
JNPBOHQFVOEQCH-ANYOKISRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50264506; PubChem:CID25116484
|
Local ready
Direct docking supported
|
|
E3L050329
BDB050329
|
BDBM50264507
CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(OC)cc3)C2)c1)C(=O)O
|
C21H23NO5 369.417000 |
MHNZLJLTXWIQEE-ANYOKISRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264507; PubChem:CID25116487
|
Local ready
Direct docking supported
|
|
E3L050330
BDB050330
|
BDBM50264508
CCO[C@@H](Cc1cccc(C2=NOC(c3ccc(C(C)(C)C)cc3)C2)c1)C(=O)O
|
C24H29NO4 395.499000 |
MNWORBKQJXPNSN-KEKNWZKVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264508; PubChem:CID25116726
|
Local ready
Direct docking supported
|
|
E3L050331
BDB050331
|
BDBM50264515
O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5nccs5)cnc34)cccc2c1
|
C26H16N6O2S4 572.722000 |
IXVAQLGAEXIKGT-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264515; PubChem:CID126599628
|
Local ready
Direct docking supported
|
|
E3L050332
BDB050332
|
BDBM50264516
O=C(NCCN1CCOCC1)c1cnc2c(SSc3cccc4cc(C(=O)NCCN5CCOCC5)cnc34)cccc2c1
|
C32H36N6O4S2 632.812000 |
VQRDUTCTXDMOFP-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50264516; PubChem:CID126599607
|
Local ready
Direct docking supported
|
|
E3L050333
BDB050333
|
BDBM50264537
CCO[C@@H](Cc1cccc(C2=NOC(Cc3ccccc3)C2)c1)C(=O)O
|
C21H23NO4 353.418000 |
RMJMVMTVRSFGAV-IJHRGXPZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264537; PubChem:CID25116953
|
Local ready
Direct docking supported
|
|
E3L050334
BDB050334
|
BDBM50264538
CCO[C@@H](Cc1cccc(C2=NOC(CCc3ccccc3)C2)c1)C(=O)O
|
C22H25NO4 367.445000 |
HAMXNMHJIWXEJM-QWAKEFERSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50264538; PubChem:CID25116956
|
Local ready
Direct docking supported
|
|
E3L050335
BDB050335
|
BDBM50264539
CCO[C@H](Cc1cccc(C2=NOC(Cc3ccccc3)C2)c1)C(=O)O
|
C21H23NO4 353.418000 |
RMJMVMTVRSFGAV-ROPPNANJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50264539; PubChem:CID25116728
|
Local ready
Direct docking supported
|
|
E3L050336
BDB050336
|
7-(1H-pyrrol-2-yl)isoindolin-1-one
O=C1NCc2cccc(-c3ccc[nH]3)c21
|
C12H10N2O 198.225000 |
WKRPBUDNPJYGTO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264548; PubChem:CID16666857
|
Local ready
Direct docking supported
|
|
E3L050337
BDB050337
|
BDBM50264549
CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
|
C18H20N2O3 312.369000 |
VVCZDXMJKPHACT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264549; PubChem:CID16666757
|
Local ready
Direct docking supported
|
|
E3L050338
BDB050338
|
BDBM50264550
CCN1CCN(CCCOc2ccc3[nH]c(-c4cccc5c4C(=O)NC5)cc3c2)CC1
|
C25H30N4O2 418.541000 |
YUDPJZYRAIXXMD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264550; PubChem:CID16666911
|
Local ready
Direct docking supported
|
|
E3L050339
BDB050339
|
BDBM50264551
O=C1NCc2cccc(-c3cc4cc(OCCCN5CCC(O)CC5)ccc4[nH]3)c21
|
C24H27N3O3 405.498000 |
XFVLOFSAMRZDHH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264551; PubChem:CID44579918
|
Local ready
Direct docking supported
|
|
E3L050340
BDB050340
|
7-(5-(3-hydroxypropoxy)-1H-indol-2-yl)isoindolin-1-one
O=C1NCc2cccc(-c3cc4cc(OCCCO)ccc4[nH]3)c21
|
C19H18N2O3 322.364000 |
IOCFSLNXNXVRSR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50264576; PubChem:CID16666908
|
Local ready
Direct docking supported
|