| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054341
BDB054341
|
BDBM50373024
CC[C@]1(C(=O)O)OC[C@@H](CCCCc2nc(-c3ccccc3)oc2C)CO1
|
C21H27NO5 373.449000 |
NXIZKFYYHVTHFH-NBEIKUQISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373024
|
Local ready
Direct docking supported
|
|
E3L054342
BDB054342
|
BDBM50373025
Cc1oc(-c2ccccc2)nc1CCCCCCOC(C)(C)C(=O)O
|
C20H27NO4 345.439000 |
VHJXSWUPBIHUER-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50373025; PubChem:CID21866827
|
Local ready
Direct docking supported
|
|
E3L054343
BDB054343
|
BDBM50373026
Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@@](CC(C)C)(C(=O)O)OC1
|
C23H31NO5 401.503000 |
YXRNZNYFVDQXRS-QRTMHTFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50373026
|
Local ready
Direct docking supported
|
|
E3L054344
BDB054344
|
BDBM50373027
Cc1oc(-c2ccccc2)nc1CCCC[C@H]1CO[C@](C)(C(=O)O)OC1
|
C20H25NO5 359.422000 |
CKMOMMWDPGJJAW-SGNKCFNYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50373027
|
Local ready
Direct docking supported
|
|
E3L054345
BDB054345
|
BDBM50373215
COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(S(C)(=O)=O)cc1
|
C25H20BrNO5S 526.408000 |
WNTHBRVKPVTIQB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50373215; PubChem:CID9958506
|
Local ready
Direct docking supported
|
|
E3L054346
BDB054346
|
BDBM50373415
COc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(-c2cc[nH]n2)n1
|
C20H21N5O3 379.420000 |
RAFFLDOJXQAJPF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50373415; PubChem:CID44449334
|
Local ready
Direct docking supported
|
|
E3L054347
BDB054347
|
BDBM50373702
CCCCCCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C35H47NO4 545.764000 |
PCCSZLRCEHQSME-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50373702; PubChem:CID24890684
|
Local ready
Direct docking supported
|
|
E3L054348
BDB054348
|
BDBM50373703
CCOc1ccc(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C31H39NO4 489.656000 |
CGKNAWYMNWZFFL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50373703; PubChem:CID44454301
|
Local ready
Direct docking supported
|
|
E3L054349
BDB054349
|
BDBM50373704
CCCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)O
|
C31H39NO4 489.656000 |
CADIUVOXJVKRSR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50373704; PubChem:CID24890511
|
Local ready
Direct docking supported
|
|
E3L054350
BDB054350
|
BDBM50373705
COc1ccc(CC(C)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C29H35NO4 461.602000 |
BAMPTNHBDXHDRO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50373705; PubChem:CID24890512
|
Local ready
Direct docking supported
|
|
E3L054351
BDB054351
|
BDBM50373706
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C3CCCCC3)cc2)c1)C(=O)O
|
C26H33NO4 423.553000 |
ZZWHMLRXHBPITO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50373706; PubChem:CID23648933
|
Local ready
Direct docking supported
|
|
E3L054352
BDB054352
|
BDBM50373707
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(C)(C)C)cc2)c1)C(=O)O
|
C24H31NO4 397.515000 |
GWWQYBGCLPWWAR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50373707; PubChem:CID44454336
|
Local ready
Direct docking supported
|
|
E3L054353
BDB054353
|
BDBM50373906
Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)c(C)c1
|
C22H29NO5 387.476000 |
MPBCEXSZGSLMSZ-LMTLIKQPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373906
|
Local ready
Direct docking supported
|
|
E3L054354
BDB054354
|
BDBM50373907
Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1C
|
C22H29NO5 387.476000 |
UFMFZMDUAJJNSE-LMTLIKQPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373907
|
Local ready
Direct docking supported
|
|
E3L054355
BDB054355
|
BDBM50373908
Cc1ccccc1-c1nc(CCCC[C@H]2CO[C@@](C)(C(=O)O)OC2)c(C)o1
|
C21H27NO5 373.449000 |
ZRIUBGGKVAZEKR-NBEIKUQISA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373908
|
Local ready
Direct docking supported
|
|
E3L054356
BDB054356
|
BDBM50373909
Cc1cccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)c1
|
C21H27NO5 373.449000 |
HAKGLNXMZVANHY-NBEIKUQISA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373909
|
Local ready
Direct docking supported
|
|
E3L054357
BDB054357
|
BDBM50373910
Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1F
|
C21H26FNO5 391.439000 |
KZUDVENDSUODSU-GGYDESQDSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373910
|
Local ready
Direct docking supported
|
|
E3L054358
BDB054358
|
BDBM50373911
CCc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1
|
C22H29NO5 387.476000 |
IWKMXHIFDGSHAC-LMTLIKQPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50373911
|
Local ready
Direct docking supported
|
|
E3L054359
BDB054359
|
BDBM50373912
COc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1
|
C21H27NO6 389.448000 |
QTPKHJFVPSPPPA-GGYDESQDSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373912
|
Local ready
Direct docking supported
|
|
E3L054360
BDB054360
|
BDBM50373913
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1
|
C21H24F3NO5 427.419000 |
KAUNZIIPVKQMIZ-LDTOLXSISA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373913
|
Local ready
Direct docking supported
|