| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052361
BDB052361
|
BDBM50317069
Cc1cccc(OC(=O)C2C(c3ccccc3)C(C(=O)O)C2c2ccccc2)c1
|
C25H22O4 386.447000 |
DXSMLZYGZQMMFC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317069; PubChem:CID2892191
|
Local ready
Direct docking supported
|
|
E3L052362
BDB052362
|
BDBM50317070
Cc1ccccc1OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
|
C25H22O4 386.447000 |
WUQLIJJPZVMJTA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317070; PubChem:CID2892375
|
Local ready
Direct docking supported
|
|
E3L052363
BDB052363
|
BDBM50317071
CCCCCCCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
|
C25H30O4 394.511000 |
ZCPGURXHGYKDDY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317071; PubChem:CID3114055
|
Local ready
Direct docking supported
|
|
E3L052364
BDB052364
|
BDBM50317072
CCCCCCCCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
|
C26H32O4 408.538000 |
GGXSLJIBPXWBFG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317072; PubChem:CID3114056
|
Local ready
Direct docking supported
|
|
E3L052365
BDB052365
|
BDBM50317109
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1
|
C21H19ClN2O6 430.844000 |
OQJKUODFNJUYDD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317109; PubChem:CID46888895
|
Local ready
Direct docking supported
|
|
E3L052366
BDB052366
|
BDBM50317110
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1
|
C22H19F3N2O6 464.396000 |
QKANMMQGZZPRTO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317110; PubChem:CID46888896
|
Local ready
Direct docking supported
|
|
E3L052367
BDB052367
|
BDBM50317111
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(C)cc3)n2)c1
|
C22H22N2O6 410.426000 |
ZOLVWMHDSPUVRY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317111; PubChem:CID46888897
|
Local ready
Direct docking supported
|
|
E3L052368
BDB052368
|
BDBM50317112
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(F)cc3)n2)c1
|
C21H19FN2O6 414.389000 |
NSZVZFDEDFPQKZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317112; PubChem:CID46888966
|
Local ready
Direct docking supported
|
|
E3L052369
BDB052369
|
BDBM50317113
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccccc3)n2)c1
|
C21H20N2O6 396.399000 |
ACKSLXBQIBLXCQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317113; PubChem:CID46888967
|
Local ready
Direct docking supported
|
|
E3L052370
BDB052370
|
BDBM50317114
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3cccc(C)c3)n2)c1
|
C22H22N2O6 410.426000 |
LJUHDJQDGZIULU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317114; PubChem:CID46888968
|
Local ready
Direct docking supported
|
|
E3L052371
BDB052371
|
BDBM50317115
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(F)cc3F)n2)c1
|
C21H18F2N2O6 432.379000 |
ZYLUUHBSGBPDTC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317115; PubChem:CID46888969
|
Local ready
Direct docking supported
|
|
E3L052372
BDB052372
|
BDBM50317116
COC(=O)N(CC(=O)O)Cc1cccc(OCc2coc(-c3ccc(F)c(Cl)c3)n2)c1
|
C21H18ClFN2O6 448.834000 |
LVXIISQGZIACJF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317116; PubChem:CID46888992
|
Local ready
Direct docking supported
|
|
E3L052373
BDB052373
|
BDBM50317117
COC(=O)N(CC(=O)O)[C@@H](C)c1cccc(OCc2coc(-c3ccc(Cl)cc3)n2)c1
|
C22H21ClN2O6 444.871000 |
WUZGKDCLUSLLOH-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317117; PubChem:CID46888993
|
Local ready
Direct docking supported
|
|
E3L052374
BDB052374
|
BDBM50317118
COC(=O)N(CC(=O)O)[C@@H](C)c1cccc(OCc2coc(-c3ccc(C)cc3)n2)c1
|
C23H24N2O6 424.453000 |
UEQLFPRAVNJMSI-INIZCTEOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317118; PubChem:CID46888994
|
Local ready
Direct docking supported
|
|
E3L052375
BDB052375
|
BDBM50317119
COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(Cl)cc3)n2)c1
|
C21H19ClN2O5S 446.912000 |
WSXXCBHTAHQUAG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317119; PubChem:CID46888995
|
Local ready
Direct docking supported
|
|
E3L052376
BDB052376
|
BDBM50317120
COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1
|
C22H19F3N2O5S 480.464000 |
OTQXWJUPSKJAGS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317120; PubChem:CID24875337
|
Local ready
Direct docking supported
|
|
E3L052377
BDB052377
|
BDBM50317121
COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccc(C)cc3)n2)c1
|
C22H22N2O5S 426.494000 |
ZQLIPSJTSQQHGB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317121; PubChem:CID46889020
|
Local ready
Direct docking supported
|
|
E3L052378
BDB052378
|
BDBM50317122
COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccccc3)n2)c1
|
C21H20N2O5S 412.467000 |
XKKWVWJLILGEDF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317122; PubChem:CID46889021
|
Local ready
Direct docking supported
|
|
E3L052379
BDB052379
|
BDBM50317123
COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3cccc(Cl)c3)n2)c1
|
C21H19ClN2O5S 446.912000 |
WGJNIZPUDYLOBQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317123; PubChem:CID46889022
|
Local ready
Direct docking supported
|
|
E3L052380
BDB052380
|
BDBM50317124
COC(=O)N(CC(=O)O)Cc1cccc(OCc2csc(-c3ccccc3Cl)n2)c1
|
C21H19ClN2O5S 446.912000 |
XRCXHZNQGFGNRY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50317124; PubChem:CID46889045
|
Local ready
Direct docking supported
|