| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049601
BDB049601
|
BDBM50244610
COc1ccc(C(=O)c2c(C)n(Cc3ccc(F)c(O[C@@H](C)C(=O)O)c3)c3ncccc23)cc1
|
C26H23FN2O5 462.477000 |
VJKZWCDPQVJZPN-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244610; PubChem:CID44561817
|
Local ready
Direct docking supported
|
|
E3L049602
BDB049602
|
BDBM50244611
Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1cc(O[C@@H](C)C(=O)O)ccc1Cl
|
C24H20Cl2N2O4 471.340000 |
IYMDFDVNLSIDNM-HNNXBMFYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244611; PubChem:CID25165638
|
Local ready
Direct docking supported
|
|
E3L049603
BDB049603
|
BDBM50244654
Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1cc(O[C@@H](C)C(=O)O)ccc1F
|
C24H20ClFN2O4 454.885000 |
GQNSETYZJHTWKU-HNNXBMFYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244654; PubChem:CID25165639
|
Local ready
Direct docking supported
|
|
E3L049604
BDB049604
|
BDBM50244655
Cc1c(Oc2ccc(Cl)cc2)c2cccnc2n1Cc1ccc(F)c(O[C@@H](C)C(=O)O)c1
|
C24H20ClFN2O4 454.885000 |
GZQQCXUDJSDGDP-HNNXBMFYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244655; PubChem:CID25166738
|
Local ready
Direct docking supported
|
|
E3L049605
BDB049605
|
BDBM50244656
COc1ccc(C(=O)c2c(C)n(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3nc(C)ccc23)cc1
|
C27H26N2O5 458.514000 |
JJDKIMFXBUCKOH-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244656; PubChem:CID25165560
|
Local ready
Direct docking supported
|
|
E3L049606
BDB049606
|
BDBM50244657
COc1ccc(C(=O)c2c(C)n(Cc3cc(O[C@@H](C)C(=O)O)ccc3F)c3nc(C)ccc23)cc1
|
C27H25FN2O5 476.504000 |
AKSHDZZBHIEERR-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244657; PubChem:CID25058068
|
Local ready
Direct docking supported
|
|
E3L049607
BDB049607
|
BDBM50244699
COc1ccc(C(=O)c2c(C)n(Cc3cc(O[C@@H](C)C(=O)O)ccc3F)c3nc(OC)ccc23)cc1
|
C27H25FN2O6 492.503000 |
ZVMIOQZOGQWDEA-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244699; PubChem:CID25164959
|
Local ready
Direct docking supported
|
|
E3L049608
BDB049608
|
BDBM50244700
COc1ccc(C(=O)c2c(C)n(Cc3ccc(F)c(O[C@@H](C)C(=O)O)c3)c3nc(OC)ccc23)cc1
|
C27H25FN2O6 492.503000 |
GMZHLYZRKUZVCL-INIZCTEOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244700; PubChem:CID25164960
|
Local ready
Direct docking supported
|
|
E3L049609
BDB049609
|
BDBM50244701
COc1ccc(C(=O)c2c(C)n(Cc3cc(O[C@@H](C)C(=O)O)ccc3Cl)c3nc(OC)ccc23)cc1
|
C27H25ClN2O6 508.958000 |
NUJTUIGACNSSPN-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244701; PubChem:CID25165162
|
Local ready
Direct docking supported
|
|
E3L049610
BDB049610
|
BDBM50244702
COc1ccc(C(=O)c2c(C)n(Cc3ccc(Cl)c(O[C@@H](C)C(=O)O)c3)c3nc(OC)ccc23)cc1
|
C27H25ClN2O6 508.958000 |
DKWFEIFAARXAGM-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244702; PubChem:CID25165359
|
Local ready
Direct docking supported
|
|
E3L049611
BDB049611
|
BDBM50244747
Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1cc(O[C@@H](C)C(=O)O)ccc1Cl
|
C24H19Cl2FN2O4 489.330000 |
FCQCJRFRHUFKAT-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244747; PubChem:CID25166740
|
Local ready
Direct docking supported
|
|
E3L049612
BDB049612
|
BDBM50244748
Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1
|
C24H19Cl2FN2O4 489.330000 |
UCHITAGTDQJGJR-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244748; PubChem:CID25166741
|
Local ready
Direct docking supported
|
|
E3L049613
BDB049613
|
BDBM50244749
Cc1c(Oc2ccc(Cl)cc2)c2ccc(F)nc2n1Cc1ccc(F)c(O[C@@H](C)C(=O)O)c1
|
C24H19ClF2N2O4 472.875000 |
FPJDTUYZSJZOJL-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244749; PubChem:CID25166743
|
Local ready
Direct docking supported
|
|
E3L049614
BDB049614
|
BDBM50244750
Cc1c(Oc2ccc(Cl)cc2)c2ccc(Cl)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1
|
C24H19Cl3N2O4 505.785000 |
QPQUZLITXBXYLW-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244750; PubChem:CID25166956
|
Local ready
Direct docking supported
|
|
E3L049615
BDB049615
|
BDBM50244787
CC[C@H](CO)Nc1nc(Nc2cccc(-c3ccccn3)c2)c2ncn(C(C)C)c2n1
|
C23H27N7O 417.517000 |
LWANFAFTTOKZAX-QGZVFWFLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50244787; PubChem:CID25168304
|
Local ready
Direct docking supported
|
|
E3L049616
BDB049616
|
BDBM50244808
Cc1c(Oc2ccc(Cl)cc2)c2ccc(C(F)(F)F)nc2n1Cc1ccc(Cl)c(O[C@@H](C)C(=O)O)c1
|
C25H19Cl2F3N2O4 539.337000 |
SAGDKSKVPMPQCM-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50244808; PubChem:CID44561969
|
Local ready
Direct docking supported
|
|
E3L049617
BDB049617
|
BDBM50244809
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1
|
C27H21ClF3NO5 531.914000 |
DHUATBAZHILHIC-MRXNPFEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50244809; PubChem:CID44190762
|
Local ready
Direct docking supported
|
|
E3L049618
BDB049618
|
BDBM50244953
CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc2n1C1CCCC1
|
C28H37N7O4 535.649000 |
JWILUIVAYLRFIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50244953; PubChem:CID137634634
|
Local ready
Direct docking supported
|
|
E3L049619
BDB049619
|
BDBM50245000
O=C(O)c1ccnc2cc([C@@H](OCCN3CCCCC3)c3ccccc3Cl)[nH]c12
|
C22H24ClN3O3 413.905000 |
AWPYWZMMJZGPOX-NRFANRHFSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50245000; PubChem:CID132472258
|
Local ready
Direct docking supported
|
|
E3L049620
BDB049620
|
BDBM50245001
O=C(O)c1ccnc2cc(C(OCC3CCC(F)(F)CC3)c3ccccc3Cl)[nH]c12
|
C22H21ClF2N2O3 434.870000 |
OZTBUBVWGCXOMR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50245001; PubChem:CID133053881
|
Local ready
Direct docking supported
|