| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007901
BDB007901
|
BDBM190456
CS(=O)(=O)Cc1ccc(COC(=O)Cc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C28H29FO6S2 544.666000 |
VGEHEICHYKUOQZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190456; PubChem:CID117634175
|
Local ready
Direct docking supported
|
|
E3L007902
BDB007902
|
BDBM190457
CS(=O)(=O)Oc1ccc(CC(=O)OCCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C28H29FO7S2 560.665000 |
MWXQXPSHHMUYAE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190457; PubChem:CID25094686
|
Local ready
Direct docking supported
|
|
E3L007903
BDB007903
|
BDBM190459
CCO[C@@H](Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(=O)O
|
C24H29NO7 443.496000 |
HDINQWWZIJPGRY-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190459; PubChem:CID58119465
|
Local ready
Direct docking supported
|
|
E3L007904
BDB007904
|
BDBM190460
CCOC(Cc1ccc(OC(=O)Cc2nc(-c3ccccc3)oc2C)c(Cc2ccccc2)c1)C(=O)O
|
C30H29NO6 499.563000 |
FORTZSIXCSOYLA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190460; PubChem:CID58119460
|
Local ready
Direct docking supported
|
|
E3L007905
BDB007905
|
BDBM190461
CCOC(Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(Cc2ccccc2)c1)C(=O)O
|
C31H35NO7 533.621000 |
OLLBNGURVSULIC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190461; PubChem:CID58119466
|
Local ready
Direct docking supported
|
|
E3L007906
BDB007906
|
BDBM190462
CCOC(Cc1ccc(OC(=O)Cc2nc(-c3ccccc3)oc2C)c(C)c1)C(=O)O
|
C24H25NO6 423.465000 |
GKMACXXUYRLPAO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190462; PubChem:CID58119464
|
Local ready
Direct docking supported
|
|
E3L007907
BDB007907
|
BDBM190463
O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCc1ccc(C(F)(F)F)cc1
|
C24H19F3O4S 460.473000 |
VQFMGCMKZVDCEF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190463; PubChem:CID58119472
|
Local ready
Direct docking supported
|
|
E3L007908
BDB007908
|
BDBM190464
O=C(Cc1ccc(C(F)(F)F)cc1)OCc1ccc(SCc2ccccc2C(=O)O)cc1
|
C24H19F3O4S 460.473000 |
MOGPCBFGRIUMJZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190464; PubChem:CID58119470
|
Local ready
Direct docking supported
|
|
E3L007909
BDB007909
|
BDBM190465
O=C(Cc1ccc(SCc2ccccc2C(=O)O)cc1)OCc1ccc(C(F)(F)F)cc1
|
C24H19F3O4S 460.473000 |
CLZRKELBHAVUBB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190465; PubChem:CID58119468
|
Local ready
Direct docking supported
|
|
E3L007910
BDB007910
|
BDBM190466
CC(OC(=O)Cc1cccc(SCc2ccccc2C(=O)O)c1)c1ccc(C(F)(F)F)cc1
|
C25H21F3O4S 474.500000 |
QXOFSEBCNUJJKX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190466; PubChem:CID58119467
|
Local ready
Direct docking supported
|
|
E3L007911
BDB007911
|
BDBM190467
O=C(Cc1cccc(SCc2ccccc2C(=O)O)c1)OCCc1ccc(C(F)(F)F)cc1
|
C25H21F3O4S 474.500000 |
LLUOZGGJLCBJBU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190467; PubChem:CID58119462
|
Local ready
Direct docking supported
|
|
E3L007912
BDB007912
|
BDBM190468
CS(=O)(=O)Oc1ccc(CC(=O)OCCCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C29H31FO7S2 574.692000 |
GGSPZMUUROFUCH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190468; PubChem:CID25094958
|
Local ready
Direct docking supported
|
|
E3L007913
BDB007913
|
BDBM190469
CC(C(=O)OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1)c1ccccc1
|
C27H27FO4S 466.574000 |
FCECJJJVQWSTBX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190469; PubChem:CID25094959
|
Local ready
Direct docking supported
|
|
E3L007914
BDB007914
|
BDBM190470
COc1ccc(CC(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C27H27FO5S 482.573000 |
PXIWYGMIOLKDCJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190470; PubChem:CID25095234
|
Local ready
Direct docking supported
|
|
E3L007915
BDB007915
|
BDBM190471
CC(C)Cc1ccc(C(C)C(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)cc1
|
C31H35FO4S 522.682000 |
WDXBTYIGXOLGIZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190471; PubChem:CID25094960
|
Local ready
Direct docking supported
|
|
E3L007916
BDB007916
|
BDBM190472
O=C(Cc1ccccn1)OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1
|
C25H24FNO4S 453.535000 |
ZHDAXFFRDHBVRM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190472; PubChem:CID25094961
|
Local ready
Direct docking supported
|
|
E3L007917
BDB007917
|
BDBM190473
CN1CCN(CC(=O)OCc2ccc(CC(SCCc3ccc(F)cc3)C(=O)O)cc2)CC1
|
C25H31FN2O4S 474.598000 |
UEMBYQGWCHULKT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190473; PubChem:CID25094962
|
Local ready
Direct docking supported
|
|
E3L007918
BDB007918
|
BDBM190474
O=C(OCc1nc(-c2ccccc2)oc1C(F)(F)F)c1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1
|
C29H23F4NO5S 573.564000 |
WUBUPXOKXBHNFT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM190474; PubChem:CID66865367
|
Local ready
Direct docking supported
|
|
E3L007919
BDB007919
|
BDBM190475
O=C(OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F
|
C29H23F4NO5S 573.564000 |
FKWNJZLLAHZSDI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190475; PubChem:CID24896643
|
Local ready
Direct docking supported
|
|
E3L007920
BDB007920
|
BDBM190476
Cc1oc(-c2ccccc2)nc1CCOC(=O)c1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1
|
C30H28FNO5S 533.621000 |
OABYGWSUXKABGA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM190476; PubChem:CID25095496
|
Local ready
Direct docking supported
|