| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045181
BDB045181
|
BDBM50063314
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)c1
|
C31H30N2O6 526.589000 |
OFSFPJPNBYCWAS-SQHAQQRYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063314; PubChem:CID9893080
|
Local ready
Direct docking supported
|
|
E3L045182
BDB045182
|
BDBM50063315
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)c1
|
C29H27F3N4O4 552.553000 |
CIUUZBXRQNCUIL-GGAORHGYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063315; PubChem:CID58977541
|
Local ready
Direct docking supported
|
|
E3L045183
BDB045183
|
BDBM50063316
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C(=O)O)c1
|
C29H27F3N4O4 552.553000 |
CIUUZBXRQNCUIL-JTHBVZDNSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063316; PubChem:CID118727481
|
Local ready
Direct docking supported
|
|
E3L045184
BDB045184
|
BDBM50063317
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)O)c1
|
C32H32N2O6 540.616000 |
LKCKSSPHQMXJFM-UIOOFZCWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50063317; PubChem:CID58977524
|
Local ready
Direct docking supported
|
|
E3L045185
BDB045185
|
BDBM50063318
CCOC(=O)N1C[C@@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](CC(=O)O)C1
|
C28H32N2O6 492.572000 |
KXWWUKKXHUIFHL-PKTZIBPZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063318; PubChem:CID58977899
|
Local ready
Direct docking supported
|
|
E3L045186
BDB045186
|
BDBM50063319
CCOC(=O)N1C[C@H](CC(=O)O)[C@H](c2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C1
|
C27H30N2O6 478.545000 |
ILEXZBDONRTJAW-GMAHTHKFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063319; PubChem:CID10073789
|
Local ready
Direct docking supported
|
|
E3L045187
BDB045187
|
BDBM50063323
Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)O)c1
|
C31H30N2O6 526.589000 |
VXSVTNCTNBQEQS-IGKIAQTJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50063323; PubChem:CID118727477
|
Local ready
Direct docking supported
|
|
E3L045188
BDB045188
|
BDBM50063327
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@H]2C(=O)O)c1
|
C31H30N2O6 526.589000 |
OFSFPJPNBYCWAS-RPLLCQBOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063327; PubChem:CID58977817
|
Local ready
Direct docking supported
|
|
E3L045189
BDB045189
|
BDBM50063419
CCOC(=O)N1C[C@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](C(=O)O)C1
|
C27H30N2O6 478.545000 |
BTIWHXHFOSRWAP-GMAHTHKFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50063419; PubChem:CID58977440
|
Local ready
Direct docking supported
|
|
E3L045190
BDB045190
|
BDBM50063484
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(c3ncccn3)C[C@@H]2C(=O)O)cc1
|
C28H28N4O4 484.556000 |
MMLIZQDMIATIMF-VWNXMTODSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50063484; PubChem:CID58977630
|
Local ready
Direct docking supported
|
|
E3L045191
BDB045191
|
BDBM50063486
Cc1ccnc(N2C[C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)[C@@H](C(=O)O)C2)n1
|
C29H30N4O4 498.583000 |
HUAMACBYFQRBSO-NOZRDPDXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063486; PubChem:CID10028864
|
Local ready
Direct docking supported
|
|
E3L045192
BDB045192
|
BDBM50063487
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)cc1
|
C29H27F3N4O4 552.553000 |
ABIFPJDABNXEMK-GMAHTHKFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063487; PubChem:CID58977913
|
Local ready
Direct docking supported
|
|
E3L045193
BDB045193
|
BDBM50063488
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C(=O)O)cc1
|
C29H27F3N4O4 552.553000 |
ABIFPJDABNXEMK-FYYLOGMGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50063488; PubChem:CID58977737
|
Local ready
Direct docking supported
|
|
E3L045194
BDB045194
|
BDBM50063489
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2C(=O)O)c1
|
C32H32N2O6 540.616000 |
PWZFOKWHYLVOCW-LSYYVWMOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50063489; PubChem:CID118727482
|
Local ready
Direct docking supported
|
|
E3L045195
BDB045195
|
BDBM50063490
CCOC(=O)N1C[C@@H](CCc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)[C@@H](C(=O)O)C1
|
C28H32N2O6 492.572000 |
WBGQHZPOWQGORY-VWNXMTODSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50063490; PubChem:CID10345547
|
Local ready
Direct docking supported
|
|
E3L045196
BDB045196
|
BDBM50063491
COc1ccc(OC(=O)N2[C@H](C(=O)O)CC[C@H]2c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1
|
C31H30N2O7 542.588000 |
OWBQRSFTGMYFME-NSOVKSMOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50063491; PubChem:CID59835721
|
Local ready
Direct docking supported
|
|
E3L045197
BDB045197
|
BDBM50063669
COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
|
C29H24Cl2N8O3 603.470000 |
GLCBWRQIUCCILC-PZVJUEDKSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50063669; PubChem:CID57976401
|
Local ready
Direct docking supported
|
|
E3L045198
BDB045198
|
BDBM50063670
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCc2cc(-c3ccccc3)[nH]n2)[C@@H](O)[C@H]1O
|
C24H29N9O4S 539.622000 |
RFDAVSSCZOJXSE-VQNOAORESA-N | Q03164 | Histone-lysine N-methyltransferase 2A |
BindingDB, PubChem
BindingDB:BDBM50063670; PubChem:CID118726601
|
Local ready
Direct docking supported
|
|
E3L045199
BDB045199
|
BDBM50063698
[N]C(=[N])c1ccc2cc(OC(=O)c3ccc(N=C([N])[N])cc3)ccc2c1
|
C19H10N5O2 340.322000 |
QQRQFIXRVWJLNT-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50063698
|
Local ready
Direct docking supported
|
|
E3L045200
BDB045200
|
BDBM50064451
Cc1oc(-c2ccccc2)nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C22H20N2O4S 408.479000 |
OVVXVZAZBPKKKE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50064451; PubChem:CID54172276
|
Local ready
Direct docking supported
|