| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051981
BDB051981
|
BDBM50312384
Cc1cc(OCc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OCC(=O)O
|
C25H21NO4S 431.513000 |
YRNQWYXSILXVHK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312384; PubChem:CID44627412
|
Local ready
Direct docking supported
|
|
E3L051982
BDB051982
|
BDBM50312385
Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)s2)ccc1OCC(=O)O
|
C37H29NO4S 583.709000 |
OFTWMOQKNGINIU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312385; PubChem:CID44627524
|
Local ready
Direct docking supported
|
|
E3L051983
BDB051983
|
BDBM50312386
Cc1cc(OCc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
|
C25H19Cl2NO4S 500.403000 |
JSYOXBHBSASSPV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312386; PubChem:CID44627526
|
Local ready
Direct docking supported
|
|
E3L051984
BDB051984
|
BDBM50312387
COc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccccc2)cc1
|
C26H23NO5S 461.539000 |
KDKFINPXKUDKGQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312387; PubChem:CID44627528
|
Local ready
Direct docking supported
|
|
E3L051985
BDB051985
|
BDBM50312388
Cc1cc(OCc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)O
|
C25H20ClNO4S 465.958000 |
VFGQSLLSHJIIRS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312388; PubChem:CID44627628
|
Local ready
Direct docking supported
|
|
E3L051986
BDB051986
|
BDBM50312389
Cc1ccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1
|
C20H19NO4S 369.442000 |
NJYSMUMXHUIKGZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312389; PubChem:CID44627297
|
Local ready
Direct docking supported
|
|
E3L051987
BDB051987
|
BDBM50312390
COc1ccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1
|
C20H19NO5S 385.441000 |
LFWPUOKHJZLFMV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312390; PubChem:CID44627298
|
Local ready
Direct docking supported
|
|
E3L051988
BDB051988
|
BDBM50312391
Cc1cc(OCc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)O
|
C19H16ClNO4S 389.860000 |
CBCCHQYMWKTUNK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312391; PubChem:CID44627299
|
Local ready
Direct docking supported
|
|
E3L051989
BDB051989
|
BDBM50312392
Cc1cc(OCc2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1OCC(=O)O
|
C25H21NO4S 431.513000 |
AXHXSOYRYGSQHK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312392; PubChem:CID44627408
|
Local ready
Direct docking supported
|
|
E3L051990
BDB051990
|
BDBM50312393
Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1OCC(=O)O
|
C20H16F3NO4S 423.412000 |
XLTUMQNQEDLBKM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312393; PubChem:CID44627409
|
Local ready
Direct docking supported
|
|
E3L051991
BDB051991
|
BDBM50312394
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(C(F)(F)F)cc2)cc1
|
C27H22F3NO6 513.468000 |
UFSWVMXNRSRKKO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312394; PubChem:CID44626477
|
Local ready
Direct docking supported
|
|
E3L051992
BDB051992
|
BDBM50312395
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cc1
|
C27H22F3NO7 529.467000 |
FXHDWLPBOICXFG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312395; PubChem:CID44626479
|
Local ready
Direct docking supported
|
|
E3L051993
BDB051993
|
BDBM50312396
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(-c3ccccc3)cc2)cc1
|
C32H27NO5S 537.637000 |
HSUPBGCKRZJDPW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312396; PubChem:CID44627943
|
Local ready
Direct docking supported
|
|
E3L051994
BDB051994
|
BDBM50312397
CCCc1ccc(-c2oc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC)cc2)cc1
|
C29H29NO6 487.552000 |
XXWKUDASTWQWDH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312397; PubChem:CID44626480
|
Local ready
Direct docking supported
|
|
E3L051995
BDB051995
|
BDBM50312398
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(-c3ccccc3)cc2)cc1
|
C32H27NO6 521.569000 |
PIVRGGOHWNDWRT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312398; PubChem:CID44626481
|
Local ready
Direct docking supported
|
|
E3L051996
BDB051996
|
BDBM50312399
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(OC(F)(F)F)cc2)cc1
|
C27H22F3NO6S 545.535000 |
NHWROCHQYZURRQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312399; PubChem:CID44627839
|
Local ready
Direct docking supported
|
|
E3L051997
BDB051997
|
BDBM50312400
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc3ccccc3c2)cc1
|
C30H25NO5S 511.599000 |
CSUCJFGSUDYCQF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312400; PubChem:CID44627945
|
Local ready
Direct docking supported
|
|
E3L051998
BDB051998
|
BDBM50312401
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C27H22F3NO5S 529.536000 |
CVBAJVGHQQXFDA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312401; PubChem:CID44627729
|
Local ready
Direct docking supported
|
|
E3L051999
BDB051999
|
BDBM50312402
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(Cl)cc2)cc1
|
C26H22ClNO6 479.916000 |
VUNQJEIZMYHSOC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312402; PubChem:CID44628050
|
Local ready
Direct docking supported
|
|
E3L052000
BDB052000
|
BDBM50312403
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)sc2-c2cc3ccccc3o2)cc1
|
C28H23NO6S 501.560000 |
UIZUBPZOZKKCKN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312403; PubChem:CID44628047
|
Local ready
Direct docking supported
|