| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046421
BDB046421
|
BDBM50132578
CCCc1c(OC(C(=O)O)c2ccccc2)ccc2c(C(F)(F)F)noc12
|
C19H16F3NO4 379.334000 |
PPPKYQKKFVGHDU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50132578; PubChem:CID44337693
|
Local ready
Direct docking supported
|
|
E3L046422
BDB046422
|
BDBM50132579
CCCCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C
|
C27H40O3 412.614000 |
ZKCLTMKNJCSCFH-QWHMLTOOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132579; PubChem:CID9866384
|
Local ready
Direct docking supported
|
|
E3L046423
BDB046423
|
BDBM50132580
CC(/C=C/C(F)=C(/C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F)=C\C(=O)O
|
C25H33F3O3 438.530000 |
WDIPTEIUSFFSDV-WEMQTCASSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132580; PubChem:CID9889347
|
Local ready
Direct docking supported
|
|
E3L046424
BDB046424
|
BDBM50132581
C/C(=C/C(F)=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F
|
C25H33F3O3 438.530000 |
HHVLEXNKNICHEL-CBDUVFOUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132581; PubChem:CID44338117
|
Local ready
Direct docking supported
|
|
E3L046425
BDB046425
|
BDBM50132582
CCCCOc1c(\C(C)=C/C=C/C(=C/C(=O)O)C(F)(F)F)cc(C(C)(C)C)cc1C(C)(C)C
|
C27H37F3O3 466.584000 |
BQLBHCZTEOUMEY-FETGSKBQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132582; PubChem:CID44338305
|
Local ready
Direct docking supported
|
|
E3L046426
BDB046426
|
BDBM50132583
CCOc1c(\C(=C/C=C/C(C)=C/C(=O)O)C(F)(F)F)cc(C(C)(C)C)cc1C(C)(C)C
|
C25H33F3O3 438.530000 |
IOTZBRPLBMULMD-KLGKYMQISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132583; PubChem:CID10274852
|
Local ready
Direct docking supported
|
|
E3L046427
BDB046427
|
BDBM50132584
C/C(=C/C=C/C(C)=C(\F)C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F
|
C25H33F3O3 438.530000 |
CIDIUAOPKQNEKM-GRAGKPCESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132584; PubChem:CID9867780
|
Local ready
Direct docking supported
|
|
E3L046428
BDB046428
|
BDBM50132585
C/C(=C/C=C(F)/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F
|
C25H33F3O3 438.530000 |
VKZJAKMQGKQVKR-UKWPUHOFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50132585; PubChem:CID9803186
|
Local ready
Direct docking supported
|
|
E3L046429
BDB046429
|
BDBM50133651
CCCc1ccccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C21H23NO5 369.417000 |
WBRLWOURZVEXKV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133651; PubChem:CID91932644
|
Local ready
Direct docking supported
|
|
E3L046430
BDB046430
|
BDBM50133652
CCCc1cc(-c2ccccc2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C27H27NO5 445.515000 |
RAULXMKUQJNOKV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133652; PubChem:CID91932645
|
Local ready
Direct docking supported
|
|
E3L046431
BDB046431
|
BDBM50133653
CCCc1cc(C2CCC(=O)CC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C27H31NO6 465.546000 |
RCEZTRZGBCOIGL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133653; PubChem:CID91932646
|
Local ready
Direct docking supported
|
|
E3L046432
BDB046432
|
BDBM50133654
CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H33NO5S 495.641000 |
ZZHKKDCUOJFCDQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133654; PubChem:CID91932647
|
Local ready
Direct docking supported
|
|
E3L046433
BDB046433
|
BDBM50133655
CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C27H33NO5 451.563000 |
QCWISGOEPLNZGZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133655; PubChem:CID91363394
|
Local ready
Direct docking supported
|
|
E3L046434
BDB046434
|
BDBM50133656
CCCc1cc(C(=O)c2ccc(Cl)cc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H26ClNO5S 524.038000 |
BRIWCEQFDGCBPL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133656; PubChem:CID91932648
|
Local ready
Direct docking supported
|
|
E3L046435
BDB046435
|
BDBM50133657
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H33NO4S 479.642000 |
SQPZWJRGUNXUDT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133657; PubChem:CID91932260
|
Local ready
Direct docking supported
|
|
E3L046436
BDB046436
|
BDBM50133658
CCCc1cc(OC2CCCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C27H33NO5S 483.630000 |
VYPKCUDHPZGILP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133658; PubChem:CID91932649
|
Local ready
Direct docking supported
|
|
E3L046437
BDB046437
|
BDBM50133659
CCCc1cc(C2CCC(F)(F)CC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C27H31F2NO5 487.543000 |
FJKLMQHKPFHAFE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133659; PubChem:CID90792462
|
Local ready
Direct docking supported
|
|
E3L046438
BDB046438
|
BDBM50133660
CCCc1cc(C2CCCCCC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C28H35NO5 465.590000 |
NCPUHZJZRNXHPV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133660; PubChem:CID91932650
|
Local ready
Direct docking supported
|
|
E3L046439
BDB046439
|
BDBM50133661
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H26N2O5S 502.592000 |
KPASPHPHTQAVSB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133661; PubChem:CID91932651
|
Local ready
Direct docking supported
|
|
E3L046440
BDB046440
|
BDBM50133662
CCCc1cc(C2CCCC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C26H31NO5 437.536000 |
RKSUSAFPJKBVAJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133662; PubChem:CID90742300
|
Local ready
Direct docking supported
|