| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048601
BDB048601
|
BDBM50212709
O=C(O)COc1ccc(SCc2cccc(F)c2OCc2ccc(C(F)(F)F)cc2)c2c1CCC2
|
C26H22F4O4S 506.517000 |
NSJSTGUEUJRILC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212709; PubChem:CID44432126
|
Local ready
Direct docking supported
|
|
E3L048602
BDB048602
|
BDBM50212710
O=C(O)COc1ccc(SCc2ccc(OCc3cc(Cl)ccc3Cl)cc2)c2c1CCC2
|
C25H22Cl2O4S 489.420000 |
JPCMVIVXKCMDJB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212710; PubChem:CID22280187
|
Local ready
Direct docking supported
|
|
E3L048603
BDB048603
|
BDBM50212711
O=C(O)COc1ccc(SCc2ccc(OCc3ccc(F)cc3C(F)(F)F)cc2)c2c1CCC2
|
C26H22F4O4S 506.517000 |
PIWIBUHURPMRHK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212711; PubChem:CID22280047
|
Local ready
Direct docking supported
|
|
E3L048604
BDB048604
|
BDBM50212712
O=C(O)COc1ccc(SCc2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)c2c1CCC2
|
C26H23F3O5S 504.526000 |
MQQUYERLSYUAIA-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212712; PubChem:CID22280124
|
Local ready
Direct docking supported
|
|
E3L048605
BDB048605
|
U 75875
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1
|
C45H61N7O7 812.025000 |
ZTKCGLWIXHAITR-JIFWBGJESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50212827; PubChem:CID5479205
|
Local ready
Direct docking supported
|
|
E3L048606
BDB048606
|
Bms-309403
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)O)c1
|
C31H26N2O3 474.560000 |
SJRVJRYZAQYCEE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50212873; PubChem:CID16122583
|
Local ready
Direct docking supported
|
|
E3L048607
BDB048607
|
BDBM50213177
CCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1
|
C24H31NO4S 429.582000 |
YPMQGWDAIMUHGN-KEKNWZKVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50213177; PubChem:CID44431882
|
Local ready
Direct docking supported
|
|
E3L048608
BDB048608
|
BDBM50213178
CCO[C@@H](Cc1ccc(CCC(OC(=S)NCC2CCCCC2)c2ccccc2)cc1)C(=O)O
|
C28H37NO4S 483.674000 |
RGZOJUIBEVPUBK-AMVUTOCUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50213178; PubChem:CID44431884
|
Local ready
Direct docking supported
|
|
E3L048609
BDB048609
|
BDBM50213179
CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O
|
C32H39NO4S 533.734000 |
RJBMVGPWWMWGNI-YPJJGMIRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50213179; PubChem:CID44431876
|
Local ready
Direct docking supported
|
|
E3L048610
BDB048610
|
BDBM50213180
CCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1
|
C23H29NO4S 415.555000 |
ZOHQSCNHRHDDJA-LBAQZLPGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50213180; PubChem:CID44431880
|
Local ready
Direct docking supported
|
|
E3L048611
BDB048611
|
BDBM50213181
CCO[C@@H](Cc1ccc(CCC(O)c2ccccc2)cc1)C(=O)O
|
C20H24O4 328.408000 |
HFOVQASTMIIFQS-GGYWPGCISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50213181; PubChem:CID25107241
|
Local ready
Direct docking supported
|
|
E3L048612
BDB048612
|
BDBM50213182
CCO[C@@H](Cc1ccc(OCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)O
|
C27H29NO5S 479.598000 |
DZAUZMTZRSMYAI-SKCDSABHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50213182; PubChem:CID44431887
|
Local ready
Direct docking supported
|
|
E3L048613
BDB048613
|
BDBM50213183
CCCCNC(=S)OC(CCc1ccc(C[C@H](OCC)C(=O)O)cc1)c1ccccc1
|
C25H33NO4S 443.609000 |
JFTBKMDJSWUJRO-WCSIJFPASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50213183; PubChem:CID44431883
|
Local ready
Direct docking supported
|
|
E3L048614
BDB048614
|
BDBM50213184
CCO[C@@H](Cc1ccc(CCC(OC(=O)NCc2ccccc2)c2ccccc2)cc1)C(=O)O
|
C28H31NO5 461.558000 |
LLUHFZCVLVLENB-AMVUTOCUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50213184; PubChem:CID44431885
|
Local ready
Direct docking supported
|
|
E3L048615
BDB048615
|
BDBM50213185
CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)O
|
C28H31NO4S 477.626000 |
SEKXQBPSFURDHT-AMVUTOCUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50213185; PubChem:CID44431867
|
Local ready
Direct docking supported
|
|
E3L048616
BDB048616
|
BDBM50213186
CCO[C@H](Cc1ccc(CCC(OC(=S)NCc2ccccc2)c2ccccc2)cc1)C(=O)O
|
C28H31NO4S 477.626000 |
SEKXQBPSFURDHT-FXDYGKIASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50213186; PubChem:CID44431866
|
Local ready
Direct docking supported
|
|
E3L048617
BDB048617
|
BDBM50213187
CCO[C@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)O
|
C29H33NO4S 491.653000 |
ANDWFMXOLLQHHC-SSYAZFEXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50213187; PubChem:CID44431869
|
Local ready
Direct docking supported
|
|
E3L048618
BDB048618
|
BDBM50213188
CCO[C@@H](Cc1ccc(CCC(OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O
|
C32H39NO4S 533.734000 |
RJBMVGPWWMWGNI-XIJSCUBXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50213188; PubChem:CID23628240
|
Local ready
Direct docking supported
|
|
E3L048619
BDB048619
|
BDBM50213189
CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(=O)O
|
C29H33NO4S 491.653000 |
ANDWFMXOLLQHHC-GEVKEYJPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50213189; PubChem:CID44431873
|
Local ready
Direct docking supported
|
|
E3L048620
BDB048620
|
BDBM50213190
CCO[C@@H](Cc1ccc(CCC(OC(=S)Nc2ccccc2)c2ccccc2)cc1)C(=O)O
|
C27H29NO4S 463.599000 |
GBGKGYNUQBUPJV-BBMPLOMVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50213190; PubChem:CID44431868
|
Local ready
Direct docking supported
|