| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053281
BDB053281
|
BDBM50344230
CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12
|
C26H25F3N2O4S 518.557000 |
FKARFQGYDAKAKQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344230; PubChem:CID54582796
|
Local ready
Direct docking supported
|
|
E3L053282
BDB053282
|
BDBM50344231
Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OC(C)(C)C(=O)O
|
C27H27F3N2O4S 532.584000 |
FJUBGMRHMNICPT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344231; PubChem:CID21928229
|
Local ready
Direct docking supported
|
|
E3L053283
BDB053283
|
BDBM50344330
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1)C(=O)O
|
C26H26FNO5 451.494000 |
AWMUDSVYMAZNQC-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344330; PubChem:CID54581535
|
Local ready
Direct docking supported
|
|
E3L053284
BDB053284
|
BDBM50344331
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(-c3ccccc3)cc2)c1)C(=O)O
|
C26H27NO4 417.505000 |
RZUOWNCTTSMPJD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344331; PubChem:CID24890166
|
Local ready
Direct docking supported
|
|
E3L053285
BDB053285
|
BDBM50344332
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccccc3)cc2)c1)C(=O)O
|
C26H27NO5 433.504000 |
KSCHLJOGABPFTR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344332; PubChem:CID10113721
|
Local ready
Direct docking supported
|
|
E3L053286
BDB053286
|
BDBM50344333
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OC(F)(F)F)cc2)c1)C(=O)O
|
C21H22F3NO5 425.403000 |
BCZXWVFNOOINGV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344333; PubChem:CID20777233
|
Local ready
Direct docking supported
|
|
E3L053287
BDB053287
|
BDBM50344334
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)c1)C(=O)O
|
C26H26ClNO5 467.949000 |
DPMJMRCDAHDVSG-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344334; PubChem:CID54580530
|
Local ready
Direct docking supported
|
|
E3L053288
BDB053288
|
BDBM50344335
CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc(Oc3ccc(Br)cc3)cc2)c1)C(=O)O
|
C26H26BrNO5 512.400000 |
SLSLHZJNGCVCPJ-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344335; PubChem:CID54580531
|
Local ready
Direct docking supported
|
|
E3L053289
BDB053289
|
BDBM50344336
CCC(Cc1ccc(OC)c(CNC(=O)c2cccc(Oc3ccccc3)c2)c1)C(=O)O
|
C26H27NO5 433.504000 |
KIBDJNDHJITXMI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344336; PubChem:CID54587410
|
Local ready
Direct docking supported
|
|
E3L053290
BDB053290
|
BDBM50344337
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OCc3ccccc3)cc2)c1)C(=O)O
|
C27H29NO5 447.531000 |
QXNHXQDADKHRRU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344337; PubChem:CID54586396
|
Local ready
Direct docking supported
|
|
E3L053291
BDB053291
|
BDBM50344338
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OCCc3ccccc3)cc2)c1)C(=O)O
|
C28H31NO5 461.558000 |
GFYXAMCIIBYSOS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344338; PubChem:CID54580529
|
Local ready
Direct docking supported
|
|
E3L053292
BDB053292
|
BDBM50344339
CCC(Cc1ccc(OC)c(CNC(=O)c2cccc(-c3ccccc3)c2)c1)C(=O)O
|
C26H27NO4 417.505000 |
ZDLLLSMGUYNIKU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344339; PubChem:CID24890167
|
Local ready
Direct docking supported
|
|
E3L053293
BDB053293
|
BDBM50344340
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C)cc2)c1)C(=O)O
|
C21H25NO4 355.434000 |
DUQDIFIIEUZSTQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344340; PubChem:CID44454364
|
Local ready
Direct docking supported
|
|
E3L053294
BDB053294
|
BDBM50344341
CCC(Cc1ccc(OC)c(CNC(=O)c2ccccc2)c1)C(=O)O
|
C20H23NO4 341.407000 |
MCTWXXVRAPHHIP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344341; PubChem:CID44454366
|
Local ready
Direct docking supported
|
|
E3L053295
BDB053295
|
BDBM50344342
CCC(Cc1ccc(OC)c(CNC(=O)c2ccccc2Oc2ccccc2)c1)C(=O)O
|
C26H27NO5 433.504000 |
RAOVZDHGUXLDBH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50344342; PubChem:CID54586395
|
Local ready
Direct docking supported
|
|
E3L053296
BDB053296
|
BDBM50344343
CCC(Cc1ccc(OC)c(CNC(=O)c2ccccc2-c2ccccc2)c1)C(=O)O
|
C26H27NO4 417.505000 |
ZZZOPDYSYWKLLT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50344343; PubChem:CID24890168
|
Local ready
Direct docking supported
|
|
E3L053297
BDB053297
|
BDBM50344571
CNC(=O)Nc1cc(OC)cc(NC(=O)NS(=O)(=O)c2cc(C)c(CCOC)s2)n1
|
C17H23N5O6S2 457.534000 |
ISWOCAVPQAAWOZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50344571; PubChem:CID51371083
|
Local ready
Direct docking supported
|
|
E3L053298
BDB053298
|
BDBM50344664
CC1(C)c2cc(C3CCN(C4COC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
|
C27H27N3O2 425.532000 |
LLGFEJJPLZCCQL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50344664; PubChem:CID53357328
|
Local ready
Direct docking supported
|
|
E3L053299
BDB053299
|
BDBM50345192
CCCCNC(=O)C(CC(=O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
|
C39H61N5O6S 728.013000 |
AZRPRQTZEDQUGX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50345192; PubChem:CID3505074
|
Local ready
Direct docking supported
|
|
E3L053300
BDB053300
|
BDBM50345193
CCCCNC(=O)C(C)CC(O)C(N)CC(CNC(=O)c1cccc(OCCCOC)c1)C(C)C
|
C27H47N3O5 493.689000 |
MLNLAFLMEAXSGF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50345193; PubChem:CID19039521
|
Local ready
Direct docking supported
|