| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052041
BDB052041
|
BDBM50312444
Cc1cc(OCc2nc(-c3ccc4[nH]c(=O)oc4c3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O
|
C27H19F3N2O7S 572.517000 |
ZNAIOXHNTVGEJB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312444; PubChem:CID44627084
|
Local ready
Direct docking supported
|
|
E3L052042
BDB052042
|
BDBM50312445
Cc1cc(OCc2nc(-c3ccc(NS(C)(=O)=O)cc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O
|
C27H23F3N2O7S2 608.616000 |
LSOYEODGFKHQEV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312445; PubChem:CID44627083
|
Local ready
Direct docking supported
|
|
E3L052043
BDB052043
|
BDBM50312446
COc1ccc(-c2nc(SCc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1
|
C27H25NO5S2 507.633000 |
OQTSHZLNLKMCQW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312446; PubChem:CID44626583
|
Local ready
Direct docking supported
|
|
E3L052044
BDB052044
|
BDBM50312447
COc1ccc(-c2nc(Sc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1
|
C26H23NO5S2 493.606000 |
AWWBIVKEAWOPAG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312447; PubChem:CID44626585
|
Local ready
Direct docking supported
|
|
E3L052045
BDB052045
|
BDBM50312448
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1
|
C27H25NO6S 491.565000 |
PMBPROKPTKOWSA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312448; PubChem:CID44626689
|
Local ready
Direct docking supported
|
|
E3L052046
BDB052046
|
BDBM50312449
COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1
|
C27H25NO5S2 507.633000 |
MFHVRCZFXZJHFV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312449; PubChem:CID44626691
|
Local ready
Direct docking supported
|
|
E3L052047
BDB052047
|
BDBM50312450
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC)cc2)cc1
|
C27H25NO7 475.497000 |
OUCCEBJQIKGFIL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312450; PubChem:CID44626789
|
Local ready
Direct docking supported
|
|
E3L052048
BDB052048
|
BDBM50312451
COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC)cc2)cc1
|
C27H25NO6S 491.565000 |
QKZMYSSJOLTSHS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312451; PubChem:CID44626791
|
Local ready
Direct docking supported
|
|
E3L052049
BDB052049
|
BDBM50312452
COc1ccc(-c2nc(SCc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
|
C26H22ClNO5S2 528.051000 |
SEGVHTKMRUXMIQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312452; PubChem:CID46878777
|
Local ready
Direct docking supported
|
|
E3L052050
BDB052050
|
BDBM50312453
COc1ccc(-c2nc(Sc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
|
C25H20ClNO5S2 514.024000 |
DUBAIPLHFTZYNK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312453; PubChem:CID46878778
|
Local ready
Direct docking supported
|
|
E3L052051
BDB052051
|
BDBM50312454
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
|
C26H22ClNO6S 511.983000 |
FAAGDPXYASKUIB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312454; PubChem:CID46878779
|
Local ready
Direct docking supported
|
|
E3L052052
BDB052052
|
BDBM50312455
COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
|
C26H22ClNO5S2 528.051000 |
WZBWFJVEPYXCNY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312455; PubChem:CID46878780
|
Local ready
Direct docking supported
|
|
E3L052053
BDB052053
|
BDBM50312456
COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)cc3Cl)oc2-c2ccc(OC)cc2)cc1
|
C26H22ClNO6S 511.983000 |
LLMINKODSCABRE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312456; PubChem:CID46878843
|
Local ready
Direct docking supported
|
|
E3L052054
BDB052054
|
BDBM50312457
COc1ccc(-c2nc(SCCCCOc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1
|
C30H31NO6S2 565.713000 |
LAFZAKOTAAWTHM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312457; PubChem:CID44627080
|
Local ready
Direct docking supported
|
|
E3L052055
BDB052055
|
BDBM50312458
COc1ccc(-c2nc(SCCCOc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1
|
C29H29NO6S2 551.686000 |
QMWAICZHSKOZJP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312458; PubChem:CID44627079
|
Local ready
Direct docking supported
|
|
E3L052056
BDB052056
|
BDBM50312459
COc1ccc(-c2nc(SCCOc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC)cc2)cc1
|
C28H27NO6S2 537.659000 |
AXNJWHYVWXFMPK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312459; PubChem:CID44627078
|
Local ready
Direct docking supported
|
|
E3L052057
BDB052057
|
BDBM50312460
COc1ccc(-c2nc(SCCCCOc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
|
C29H28ClNO6S2 586.131000 |
QPMSGYPLYWKSPZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312460; PubChem:CID46878727
|
Local ready
Direct docking supported
|
|
E3L052058
BDB052058
|
BDBM50312461
COc1ccc(-c2nc(SCCCOc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
|
C28H26ClNO6S2 572.104000 |
ZAHDVQMSSOLLAS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312461; PubChem:CID46878728
|
Local ready
Direct docking supported
|
|
E3L052059
BDB052059
|
BDBM50312462
COc1ccc(-c2nc(SCCOc3ccc(OCC(=O)O)cc3Cl)sc2-c2ccc(OC)cc2)cc1
|
C27H24ClNO6S2 558.077000 |
RFSGIEKVKPECRC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312462; PubChem:CID46878729
|
Local ready
Direct docking supported
|
|
E3L052060
BDB052060
|
BDBM50312464
Cc1cc(OC/C=C(\C#Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)ccc1OCC(=O)O
|
C27H20BrF3O4 545.351000 |
NWQRCIMQYXJWJG-KGENOOAVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312464; PubChem:CID23656548
|
Local ready
Direct docking supported
|