| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001261
BDB001261
|
Phenoxyacetic acid-ether, 16
Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC2CCCO2)c1C
|
C29H29F3O6S 562.606000 |
SVFNGSMWVYNIBF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29874; PubChem:CID44143323
|
Local ready
Direct docking supported
|
|
E3L001262
BDB001262
|
Phenoxyacetic acid-ether, 17
Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCCN2CCOCC2)c1C
|
C30H32F3NO6S 591.648000 |
NUAROWKZTRKIIQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29875; PubChem:CID44143324
|
Local ready
Direct docking supported
|
|
E3L001263
BDB001263
|
Phenoxyacetic acid-ether, 18
Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCCN2CCCC2)c1C
|
C30H32F3NO5S 575.649000 |
ATOGFGNRPUMKBP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29876; PubChem:CID44143325
|
Local ready
Direct docking supported
|
|
E3L001264
BDB001264
|
Alkynyl ether, 19
C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C29H25F3O5S 542.575000 |
ZCORSQTXEMWYOI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29877; PubChem:CID44143326
|
Local ready
Direct docking supported
|
|
E3L001265
BDB001265
|
Alkynyl ether, 20
CC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C30H27F3O5S 556.602000 |
MGDLXWNOFLIMLL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29878; PubChem:CID44143327
|
Local ready
Direct docking supported
|
|
E3L001266
BDB001266
|
BDBM29879
CCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C31H29F3O5S 570.629000 |
SIHDSSYICQEWRS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29879; PubChem:CID42608446
|
Local ready
Direct docking supported
|
|
E3L001267
BDB001267
|
Alkynyl ether, 22
CC(C)(O)C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C32H31F3O6S 600.655000 |
PWOYMKJIMNIRGL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29880; PubChem:CID44143328
|
Local ready
Direct docking supported
|
|
E3L001268
BDB001268
|
Alkynyl ether, 23
O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCO)c2c1CCCC2
|
C30H27F3O6S 572.601000 |
LSQBHBUVOUMWSA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29881; PubChem:CID44143329
|
Local ready
Direct docking supported
|
|
E3L001269
BDB001269
|
Alkynyl ether, 24
O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#CCCO)c2c1CCCC2
|
C31H29F3O6S 586.628000 |
FNMVEAXKJOARBI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29882; PubChem:CID44143330
|
Local ready
Direct docking supported
|
|
E3L001270
BDB001270
|
Alkynyl ether, 25
C[C@H](O)C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C31H29F3O6S 586.628000 |
BHFPIRBQUYNQBU-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29883; PubChem:CID44143331
|
Local ready
Direct docking supported
|
|
E3L001271
BDB001271
|
Alkynyl ether, 26
COCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C31H29F3O6S 586.628000 |
HCESSSWSQIVDJX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29884; PubChem:CID44143332
|
Local ready
Direct docking supported
|
|
E3L001272
BDB001272
|
Alkynyl ether, 27
COCCC#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C32H31F3O6S 600.655000 |
PBWAQRHLZVZJGQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29885; PubChem:CID44143333
|
Local ready
Direct docking supported
|
|
E3L001273
BDB001273
|
Alkynyl ether, 28
O=C(O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCC#Cc2cccnc2)c2c1CCCC2
|
C34H28F3NO5S 619.661000 |
NUJKYSJRDHOZSO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29886; PubChem:CID44143334
|
Local ready
Direct docking supported
|
|
E3L001274
BDB001274
|
Alkynyl ether, 29
CCC#CCOc1cc(COc2cccc(C(F)(F)F)c2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C31H29F3O5S 570.629000 |
NWDFSOFWSIMVJL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29887; PubChem:CID44143335
|
Local ready
Direct docking supported
|
|
E3L001275
BDB001275
|
Alkynyl ether, 30
CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C31H29F3O5S 570.629000 |
JHRKYWUIHPQPLT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29888; PubChem:CID44143336
|
Local ready
Direct docking supported
|
|
E3L001276
BDB001276
|
Alkynyl ether, 31
CCC#CCOc1cc(COc2ccc(Cl)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C30H29ClO5S 537.077000 |
JPEYVXVKOZZIGX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29889; PubChem:CID44143337
|
Local ready
Direct docking supported
|
|
E3L001277
BDB001277
|
Alkynyl ether, 32
CCC#CCOc1cc(COc2ccc(Cl)cc2C)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C31H31ClO5S 551.104000 |
HWWFJGCGTRFFHO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29890; PubChem:CID44143338
|
Local ready
Direct docking supported
|
|
E3L001278
BDB001278
|
Alkynyl ether, 33
CCC#CCOc1cc(COc2ccc(C(F)(F)F)cn2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C30H28F3NO5S 571.617000 |
IVGXYCULZLFXDE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM29891; PubChem:CID44143339
|
Local ready
Direct docking supported
|
|
E3L001279
BDB001279
|
Alkynyl ether, 34
CCC#CCOc1cc(CNc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C31H30F3NO4S 569.645000 |
KHAMFOORFHTJFN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29892; PubChem:CID44143340
|
Local ready
Direct docking supported
|
|
E3L001280
BDB001280
|
Alkynyl ether, 35
CCC#CCOc1cc(COC2CCOCC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C29H34O6S 510.652000 |
ZCKPNGWVLHEGFP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29893; PubChem:CID44143341
|
Local ready
Direct docking supported
|