| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047921
BDB047921
|
BDBM50189666
Cc1ccc(OC(=O)N(CC(=O)O)Cc2cc(OCc3nc(-c4ccc(Cl)cc4)oc3C)ccc2F)cc1
|
C28H24ClFN2O6 538.959000 |
HWLOTFCWNLWRGD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189666; PubChem:CID127043497
|
Local ready
Direct docking supported
|
|
E3L047922
BDB047922
|
BDBM50189690
Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccc(F)c(CN(CC(=O)O)C(=O)OCC(C)C)c1
|
C25H26ClFN2O6 504.942000 |
XCSGPDSJZUDEOX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189690; PubChem:CID127043496
|
Local ready
Direct docking supported
|
|
E3L047923
BDB047923
|
BDBM50189691
CCCCOC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F
|
C25H26ClFN2O6 504.942000 |
HZJAQFFAMSTVOA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189691; PubChem:CID127043495
|
Local ready
Direct docking supported
|
|
E3L047924
BDB047924
|
BDBM50189692
Cc1oc(-c2ccc(Cl)cc2)nc1COc1ccc(F)c(CN(CC(=O)O)C(=O)OCCCF)c1
|
C24H23ClF2N2O6 508.905000 |
SBBPLUZHEBFRQS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189692; PubChem:CID127043494
|
Local ready
Direct docking supported
|
|
E3L047925
BDB047925
|
BDBM50189693
CCCOC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F
|
C24H24ClFN2O6 490.915000 |
IGBGKFRTXCLXHW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189693; PubChem:CID127043847
|
Local ready
Direct docking supported
|
|
E3L047926
BDB047926
|
BDBM50189694
CCOC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)ccc1F
|
C23H22ClFN2O6 476.888000 |
FOYCSFNQEARQLK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189694; PubChem:CID127043846
|
Local ready
Direct docking supported
|
|
E3L047927
BDB047927
|
BDBM50189964
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)OC)c(C)c1
|
C23H27F3O5 440.458000 |
MTIFUIXRGBEXCE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189964; PubChem:CID44415602
|
Local ready
Direct docking supported
|
|
E3L047928
BDB047928
|
BDBM50189965
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)OC)cc1
|
C22H25F3O5 426.431000 |
QWHZESJTJBNHNG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189965; PubChem:CID44415715
|
Local ready
Direct docking supported
|
|
E3L047929
BDB047929
|
BDBM50189966
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)O)c(C)c1
|
C22H25F3O5 426.431000 |
ZWGYVQRLTOKJCI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189966; PubChem:CID44415616
|
Local ready
Direct docking supported
|
|
E3L047930
BDB047930
|
BDBM50189967
CCCc1cc(C(F)(F)F)ncc1OCCCOc1ccc(OCC(=O)O)c(C)c1
|
C21H24F3NO5 427.419000 |
RSZUHHKKADQCHI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189967; PubChem:CID16007090
|
Local ready
Direct docking supported
|
|
E3L047931
BDB047931
|
BDBM50189968
CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)cnc(C(C)=O)c1O
|
C22H27NO7 417.458000 |
HVEBZNLWMFBMFA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189968; PubChem:CID44415696
|
Local ready
Direct docking supported
|
|
E3L047932
BDB047932
|
BDBM50189970
CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)ccc(C(C)=O)c1O
|
C23H28O7 416.470000 |
UGGTYLUSSQGJEN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189970; PubChem:CID44415664
|
Local ready
Direct docking supported
|
|
E3L047933
BDB047933
|
BDBM50190419
CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(S)CCSC(=O)CCC(=O)O
|
C25H34N2O7S3 570.755000 |
NOLFRRUNEHEQBW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190419; PubChem:CID91936154
|
Local ready
Direct docking supported
|
|
E3L047934
BDB047934
|
BDBM50190420
CC(=O)SCCC(CCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)SC(C)=O
|
C25H34N2O6S3 554.756000 |
RAFOKRJKIPNDGE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190420; PubChem:CID91936155
|
Local ready
Direct docking supported
|
|
E3L047935
BDB047935
|
BDBM50190421
CN(CCCCC1CCSS1)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C20H28N2O3S3 440.656000 |
RVLUBPRBBPABLW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190421; PubChem:CID91936156
|
Local ready
Direct docking supported
|
|
E3L047936
BDB047936
|
BDBM50190422
CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)CN)SC(=O)CN
|
C25H36N4O6S3 584.786000 |
PLSNTPFRSNHWIT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190422; PubChem:CID91936158
|
Local ready
Direct docking supported
|
|
E3L047937
BDB047937
|
BDBM50190423
CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)C(=O)CCCCC(CCSC(=O)CCC(=O)O)SC(=O)CCC(=O)O
|
C29H38N2O10S3 670.828000 |
ZTYNMAFZFNNQMY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190423; PubChem:CID91936160
|
Local ready
Direct docking supported
|
|
E3L047938
BDB047938
|
BDBM50190424
CC(=O)SC(CCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)CCSC(=O)CN
|
C25H35N3O6S3 569.771000 |
GSEBGGHVMIGXRC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190424; PubChem:CID91936162
|
Local ready
Direct docking supported
|
|
E3L047939
BDB047939
|
BDBM50190425
O=C(CCCCC1CCSS1)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C20H26N2O4S3 454.639000 |
GMEIXEUMOKSTHZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190425; PubChem:CID90964862
|
Local ready
Direct docking supported
|
|
E3L047940
BDB047940
|
BDBM50190426
COC(=O)Cc1ccc(OCCCN(C)C(=O)CCCCC2CCSS2)c(Cl)c1
|
C21H30ClNO4S2 460.061000 |
SMIBYZRCIQDRNX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50190426; PubChem:CID11568811
|
Local ready
Direct docking supported
|