| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050361
BDB050361
|
Halofenate
CC(=O)NCCOC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
|
C19H17ClF3NO4 415.795000 |
BJBCSGQLZQGGIQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266371; PubChem:CID33584
|
Local ready
Direct docking supported
|
|
E3L050362
BDB050362
|
BDBM50266372
O=C(O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
|
C15H10ClF3O3 330.689000 |
DDTQLPXXNHLBAB-CYBMUJFWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266372; PubChem:CID12082255
|
Local ready
Direct docking supported
|
|
E3L050363
BDB050363
|
2-Chloro-5-nitro-N-4-pyridinylbenzamide
O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Cl
|
C12H8ClN3O3 277.667000 |
FRPJSHKMZHWJBE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266373; PubChem:CID2777391
|
Local ready
Direct docking supported
|
|
E3L050364
BDB050364
|
BDBM50266500
COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2oc1=O
|
C29H23NO6 481.504000 |
YQPJDDSMIOAJBS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266500; PubChem:CID25149038
|
Local ready
Direct docking supported
|
|
E3L050365
BDB050365
|
BDBM50266501
COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2OC1=O
|
C29H25NO6 483.520000 |
ZTWQZGIOXRCDQP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266501; PubChem:CID25148014
|
Local ready
Direct docking supported
|
|
E3L050366
BDB050366
|
BDBM50266531
COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(OC)cc4)oc3C)cc2oc1=O
|
C24H21NO7 435.432000 |
DJHHHMLJJOYVSP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266531; PubChem:CID25147933
|
Local ready
Direct docking supported
|
|
E3L050367
BDB050367
|
BDBM50266532
COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(OC)cc4)oc3C)cc2OC1=O
|
C24H23NO7 437.448000 |
VWBNKCDXJTZDIT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266532; PubChem:CID25149129
|
Local ready
Direct docking supported
|
|
E3L050368
BDB050368
|
BDBM50266533
COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc2oc1=O
|
C24H21NO7 435.432000 |
CVQDRFJTXXPSCU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266533; PubChem:CID25149124
|
Local ready
Direct docking supported
|
|
E3L050369
BDB050369
|
BDBM50266534
COC(=O)C1Cc2ccc(OCCc3nc(-c4cccc(OC)c4)oc3C)cc2OC1=O
|
C24H23NO7 437.448000 |
LOADVFFIHKSVTC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266534; PubChem:CID25148015
|
Local ready
Direct docking supported
|
|
E3L050370
BDB050370
|
BDBM50266548
COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)cc2oc1=O
|
C27H27NO6 461.514000 |
CZWVOYZQAGCEKA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266548; PubChem:CID25148011
|
Local ready
Direct docking supported
|
|
E3L050371
BDB050371
|
BDBM50266549
COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)cc2OC1=O
|
C27H29NO6 463.530000 |
KORIKKLQSZIORK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266549; PubChem:CID25147837
|
Local ready
Direct docking supported
|
|
E3L050372
BDB050372
|
BDBM50266550
COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(C)cc4)oc3C)cc2oc1=O
|
C24H21NO6 419.433000 |
XUOPAPBJOVSLAY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266550; PubChem:CID25149125
|
Local ready
Direct docking supported
|
|
E3L050373
BDB050373
|
BDBM50266551
COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(C)cc4)oc3C)cc2OC1=O
|
C24H23NO6 421.449000 |
ZFDZIRUIUDMWMJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266551; PubChem:CID25148016
|
Local ready
Direct docking supported
|
|
E3L050374
BDB050374
|
BDBM50266568
COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(C)c4)oc3C)cc2oc1=O
|
C24H21NO6 419.433000 |
NATAHZDMVJBKML-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266568; PubChem:CID25148012
|
Local ready
Direct docking supported
|
|
E3L050375
BDB050375
|
BDBM50266569
COC(=O)C1Cc2ccc(OCCc3nc(-c4cccc(C)c4)oc3C)cc2OC1=O
|
C24H23NO6 421.449000 |
DHWHGZTWBWPUBI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266569; PubChem:CID25147838
|
Local ready
Direct docking supported
|
|
E3L050376
BDB050376
|
BDBM50266570
COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)cc2oc1=O
|
C24H18F3NO6 473.403000 |
QPYZDZWUZYOQOG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266570; PubChem:CID25149126
|
Local ready
Direct docking supported
|
|
E3L050377
BDB050377
|
BDBM50266571
COC(=O)C1Cc2ccc(OCCc3nc(-c4cccc(C(F)(F)F)c4)oc3C)cc2OC1=O
|
C24H20F3NO6 475.419000 |
KEJLYINOCVZDJL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266571; PubChem:CID25148090
|
Local ready
Direct docking supported
|
|
E3L050378
BDB050378
|
BDBM50266595
COC(=O)c1cc2ccc(OCCc3nc(-c4ccc(F)cc4)oc3C)cc2oc1=O
|
C23H18FNO6 423.396000 |
UIJQZHSNOPZSMY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266595; PubChem:CID25148013
|
Local ready
Direct docking supported
|
|
E3L050379
BDB050379
|
BDBM50266596
COC(=O)C1Cc2ccc(OCCc3nc(-c4ccc(F)cc4)oc3C)cc2OC1=O
|
C23H20FNO6 425.412000 |
VDSIAIRHKAVLDN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50266596; PubChem:CID25147839
|
Local ready
Direct docking supported
|
|
E3L050380
BDB050380
|
BDBM50266597
COC(=O)c1cc2ccc(OCCc3nc(-c4cccc(F)c4)oc3C)cc2oc1=O
|
C23H18FNO6 423.396000 |
SYDVUQFXTBMVHU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50266597; PubChem:CID25149127
|
Local ready
Direct docking supported
|