| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045941
BDB045941
|
BDBM50109540
CCOC(Cc1ccc(OCCCN2c3ccccc3OCOc3ccccc32)cc1)C(=O)O
|
C27H29NO6 463.530000 |
KSBOHRFABLKVLA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109540; PubChem:CID9869022
|
Local ready
Direct docking supported
|
|
E3L045942
BDB045942
|
BDBM50109541
CCOC(Cc1ccc(OCCC2Sc3ccccc3Oc3ccccc32)cc1)C(=O)O
|
C26H26O5S 450.556000 |
TUADPXVZIXAGBG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109541; PubChem:CID9868387
|
Local ready
Direct docking supported
|
|
E3L045943
BDB045943
|
BDBM50109542
CCOC(Cc1ccc(OCCC2c3ccccc3-c3ccccc32)cc1)C(=O)O
|
C26H26O4 402.490000 |
RJPILEUQKHRVTM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50109542; PubChem:CID9844059
|
Local ready
Direct docking supported
|
|
E3L045944
BDB045944
|
BDBM50109543
CCOC(Cc1ccc(OCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)O
|
C27H29NO4 431.532000 |
SRDPBHFWHKEGRQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109543; PubChem:CID9845640
|
Local ready
Direct docking supported
|
|
E3L045945
BDB045945
|
BDBM50109544
CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccncc32)cc1)C(=O)O
|
C24H24N2O4 404.466000 |
OCSNIPAKIFPWTJ-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50109544; PubChem:CID11784454
|
Local ready
Direct docking supported
|
|
E3L045946
BDB045946
|
BDBM50109545
CCOC(Cc1ccc(OCCn2c3ccccc3c3ccncc32)cc1)C(=O)O
|
C24H24N2O4 404.466000 |
OCSNIPAKIFPWTJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50109545; PubChem:CID9931070
|
Local ready
Direct docking supported
|
|
E3L045947
BDB045947
|
Carbacyclin
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)O)C[C@H]2C[C@H]1O
|
C21H34O4 350.499000 |
XZFRIPGNUQRGPI-WLPVIMDJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109546; PubChem:CID5311242
|
Local ready
Direct docking supported
|
|
E3L045948
BDB045948
|
BDBM50109547
CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O
|
C25H25NO4 403.478000 |
WUZIMDSVRIBNNI-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50109547; PubChem:CID446758
|
Local ready
Direct docking supported
|
|
E3L045949
BDB045949
|
BDBM50109548
CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3cc(Br)ccc32)cc1)C(=O)O
|
C25H24BrNO4 482.374000 |
WRSFLISDAGMKHV-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50109548; PubChem:CID10896153
|
Local ready
Direct docking supported
|
|
E3L045950
BDB045950
|
BDBM50109549
CCOC(Cc1ccc(OCCC2c3ccccc3Oc3ccccc32)cc1)C(=O)O
|
C26H26O5 418.489000 |
DSPWOPXVRYCAHU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109549; PubChem:CID11811825
|
Local ready
Direct docking supported
|
|
E3L045951
BDB045951
|
BDBM50109550
CCOC(Cc1ccc(OCCN2c3ccccc3C=Cc3ccccc32)cc1)C(=O)O
|
C27H27NO4 429.516000 |
WHIIUMONQPXPQT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109550; PubChem:CID9867298
|
Local ready
Direct docking supported
|
|
E3L045952
BDB045952
|
BDBM50109551
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O
|
C25H25NO5 419.477000 |
WMUIIGVAWPWQAW-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50109551; PubChem:CID447458
|
Local ready
Direct docking supported
|
|
E3L045953
BDB045953
|
BDBM50109552
[C][C]O[C]([C]c1ccc(O[C][C]=C2c3ccccc3-c3ccccc32)cc1)C([O])=O
|
C26H12O4 388.378000 |
SVLSHQYXPNQTIL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50109552
|
Local ready
Direct docking supported
|
|
E3L045954
BDB045954
|
BDBM50109553
[C][C]O[C]([C]c1ccc(O[C][C]=C2c3ccccc3O[C]Oc3ccccc32)cc1)C([O])=O
|
C27H12O6 432.387000 |
KMKWUWMIJOYNIE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50109553
|
Local ready
Direct docking supported
|
|
E3L045955
BDB045955
|
BDBM50109554
CCO[C@@H](Cc1ccc(OCCn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1)C(=O)O
|
C25H23Br2NO4 561.270000 |
MFNINLDQACVMCQ-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50109554; PubChem:CID11049998
|
Local ready
Direct docking supported
|
|
E3L045956
BDB045956
|
BDBM50109555
CCOC(Cc1ccc(OCC/C=C2/c3ccccc3COc3ccccc32)cc1)C(=O)O
|
C28H28O5 444.527000 |
QHYIJIGBWHKSCL-MYKKPKGFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109555; PubChem:CID44379496
|
Local ready
Direct docking supported
|
|
E3L045957
BDB045957
|
BDBM50109556
CCOC(Cc1ccc(OCCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)O
|
C28H31NO4 445.559000 |
UCRMCPAGLIQUQC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109556; PubChem:CID9955171
|
Local ready
Direct docking supported
|
|
E3L045958
BDB045958
|
BDBM50109557
[C][C]O[C]([C]c1ccc(O[C][C]=C2c3ccccc3[C][C]c3ccccc32)cc1)C([O])=O
|
C28H12O4 412.400000 |
TVSCELXCEGBLKV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50109557
|
Local ready
Direct docking supported
|
|
E3L045959
BDB045959
|
BDBM50109558
CCOC(Cc1ccc(OCCN(C)C2c3ccccc3CCc3ccccc32)cc1)C(=O)O
|
C29H33NO4 459.586000 |
YXUKYZQBPFMUTF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109558; PubChem:CID9868836
|
Local ready
Direct docking supported
|
|
E3L045960
BDB045960
|
BDBM50109559
CCOC(Cc1ccc(OCCNC2=Nc3ccccc3Sc3ccccc32)cc1)C(=O)O
|
C26H26N2O4S 462.571000 |
HVDSIJKSGFPIAE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50109559; PubChem:CID135444763
|
Local ready
Direct docking supported
|