| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048921
BDB048921
|
BDBM50227145
Cc1cnc2c(C(F)(F)F)cccc2c1-c1cccc(CNc2cccc3c(CC(=O)O)cccc23)c1
|
C30H23F3N2O2 500.520000 |
OHDRXCKGYPYQAU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227145; PubChem:CID24936147
|
Local ready
Direct docking supported
|
|
E3L048922
BDB048922
|
BDBM50227147
O=C(O)Cc1cccc2c(NCc3cccc(-c4ccnc5c(C(F)(F)F)cccc45)c3)cccc12
|
C29H21F3N2O2 486.493000 |
YLJKCCPSAPDTDJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227147; PubChem:CID24936148
|
Local ready
Direct docking supported
|
|
E3L048923
BDB048923
|
BDBM50227151
O=C(O)Cc1cccc2c(NCc3cccc(-c4c(Cc5ccccc5)cnc5c(C(F)(F)F)cccc45)c3)cccc12
|
C36H27F3N2O2 576.618000 |
FMNHPFYLVZKAJK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227151; PubChem:CID24936142
|
Local ready
Direct docking supported
|
|
E3L048924
BDB048924
|
BDBM50227253
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC1C=NC=N1)NC(=O)OC(C)(C)C
|
C31H51N7O6 617.792000 |
SFNAXFBFWDPHII-PILRVMHYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50227253
|
Local ready
Direct docking supported
|
|
E3L048925
BDB048925
|
BDBM50227367
COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
|
C30H31N3O6S 561.660000 |
ZZGWEFLUSUHZRZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227367; PubChem:CID14626814
|
Local ready
Direct docking supported
|
|
E3L048926
BDB048926
|
BDBM50227669
CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1
|
C23H25F3N2O4S 482.524000 |
AHHRDMWAAXCONK-QGZVFWFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227669; PubChem:CID11260214
|
Local ready
Direct docking supported
|
|
E3L048927
BDB048927
|
BDBM50227736
Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc1Oc1ccc(OC(C)(C)C(=O)O)c(C)c1
|
C27H25F4NO5 519.491000 |
DAATXYRCHMUOOY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227736; PubChem:CID44434350
|
Local ready
Direct docking supported
|
|
E3L048928
BDB048928
|
BDBM50227737
Cc1ccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)cc1CNC(=O)c1ccc(C(F)(F)F)cc1F
|
C27H25F4NO5 519.491000 |
SRVDNSQKPDOZJT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227737; PubChem:CID44434351
|
Local ready
Direct docking supported
|
|
E3L048929
BDB048929
|
BDBM50227738
Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O
|
C26H22F5NO5 523.454000 |
HNESZXCOTZCFMK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227738; PubChem:CID44434353
|
Local ready
Direct docking supported
|
|
E3L048930
BDB048930
|
BDBM50227739
Cc1cc(Oc2cccc(CNC(=O)c3ccc(OC(F)(F)F)cc3C)c2)ccc1OC(C)(C)C(=O)O
|
C27H26F3NO6 517.500000 |
PMPUQJLQCPEQEM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227739; PubChem:CID44434347
|
Local ready
Direct docking supported
|
|
E3L048931
BDB048931
|
BDBM50227740
COc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(=O)O)c(C)c3)c2)c(C)c1
|
C27H29NO6 463.530000 |
JXSFJFACNMJREK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227740; PubChem:CID44434348
|
Local ready
Direct docking supported
|
|
E3L048932
BDB048932
|
BDBM50227741
CCc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1
|
C28H28F3NO5 515.528000 |
BVFYJVGNRKVVMI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227741; PubChem:CID44434338
|
Local ready
Direct docking supported
|
|
E3L048933
BDB048933
|
BDBM50227742
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1CCC(=O)O
|
C26H24F3NO4 471.475000 |
SWUZQDVMRRMTCS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227742; PubChem:CID11328910
|
Local ready
Direct docking supported
|
|
E3L048934
BDB048934
|
BDBM50227743
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C)c2)ccc1OC(C)(C)C(=O)O
|
C27H26F3NO5 501.501000 |
LOJORHPOXAEPAJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227743; PubChem:CID11352573
|
Local ready
Direct docking supported
|
|
E3L048935
BDB048935
|
BDBM50227744
Cc1cc(Oc2cccc(CNC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O
|
C28H27ClN2O4 490.987000 |
SYVYIPUEDUCDLG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227744; PubChem:CID11488726
|
Local ready
Direct docking supported
|
|
E3L048936
BDB048936
|
BDBM50227745
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Br)c2)ccc1OC(C)(C)C(=O)O
|
C26H23BrF3NO5 566.370000 |
CTYVDIYMCVWPJJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227745; PubChem:CID44434341
|
Local ready
Direct docking supported
|
|
E3L048937
BDB048937
|
BDBM50227746
Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(=O)O
|
C26H23ClN2O4 462.933000 |
CVKRLGZUCIHMHK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227746; PubChem:CID44434355
|
Local ready
Direct docking supported
|
|
E3L048938
BDB048938
|
BDBM50227747
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1OC(C)(C)C(=O)O
|
C26H24F3NO5 487.474000 |
RLTVFWLIKGNVBV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227747; PubChem:CID44434337
|
Local ready
Direct docking supported
|
|
E3L048939
BDB048939
|
BDBM50227748
Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2)ccc1CCC(=O)O
|
C26H23BrN2O4 507.384000 |
IKOKYJMUUWLNCK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227748; PubChem:CID44434357
|
Local ready
Direct docking supported
|
|
E3L048940
BDB048940
|
BDBM50227749
COc1cc(C(F)(F)F)ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1
|
C27H26F3NO6 517.500000 |
ZLJFPKMNDWYDBS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227749; PubChem:CID44434344
|
Local ready
Direct docking supported
|