| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057141
BDB057141
|
BDBM50463271
Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)ccc1OCC(=O)O
|
C31H23F7O3S 608.575000 |
LKCGIXADGCBQIX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463271; PubChem:CID145985229
|
Local ready
Direct docking supported
|
|
E3L057142
BDB057142
|
BDBM50463272
Cc1cc(SC(Cc2c(F)cccc2F)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)ccc1OCC(=O)O
|
C29H21F5O3S 544.541000 |
NRHAKKMIQMMWQD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463272; PubChem:CID145984820
|
Local ready
Direct docking supported
|
|
E3L057143
BDB057143
|
BDBM50463273
Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O
|
C30H23F5O3S 558.568000 |
VATCAZWUKHPBQZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463273; PubChem:CID145985668
|
Local ready
Direct docking supported
|
|
E3L057144
BDB057144
|
BDBM50463274
Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(C(F)(F)F)cc3)nc2)ccc1OCC(=O)O
|
C29H21F6NO3S 577.546000 |
PIUONPDYWZXIJI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463274; PubChem:CID145984795
|
Local ready
Direct docking supported
|
|
E3L057145
BDB057145
|
BDBM50463275
Cc1cc(SC(Cc2c(F)cccc2F)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O
|
C29H23F3O3S 508.561000 |
CVWQIFBVCLHZJH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463275; PubChem:CID145983705
|
Local ready
Direct docking supported
|
|
E3L057146
BDB057146
|
BDBM50463276
Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(F)cc3)cc2)ccc1OCC(=O)O
|
C29H22F4O3S 526.551000 |
PBALUEMSVFMQRV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463276; PubChem:CID145983252
|
Local ready
Direct docking supported
|
|
E3L057147
BDB057147
|
BDBM50463277
Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O
|
C29H23F3O3S 508.561000 |
ZDJOPZFRKFDMHQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463277; PubChem:CID145983321
|
Local ready
Direct docking supported
|
|
E3L057148
BDB057148
|
BDBM50463279
Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)O
|
C30H24F4O3S 540.578000 |
FGPBGESYWJHUCF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463279; PubChem:CID145984577
|
Local ready
Direct docking supported
|
|
E3L057149
BDB057149
|
BDBM50463479
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1
|
C19H17N5O3S2 427.511000 |
HIUHVDROHDSKTC-UHFFFAOYSA-N | O14965, P51617, Q92630 | Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50463479; PubChem:CID11690457
|
Local ready
Direct docking supported
|
|
E3L057150
BDB057150
|
BDBM50463483
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(-c2c[nH]c3ncccc23)cs1
|
C26H29N5O2S 475.618000 |
OKUPZBPYLVKVSU-UHFFFAOYSA-N | O14965, P51617, Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50463483; PubChem:CID11561968
|
Local ready
Direct docking supported
|
|
E3L057151
BDB057151
|
BDBM50463484
CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(-c4c[nH]c5ncccc45)cs3)c2)CC1
|
C26H30N6O2S 490.633000 |
KWQRIWDMNAKJAF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50463484; PubChem:CID11705863
|
Local ready
Direct docking supported
|
|
E3L057152
BDB057152
|
Eicosanoic Acid
CCCCCCCCCCCCCCCCCCCC(=O)O
|
C20H40O2 312.538000 |
VKOBVWXKNCXXDE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50463966; PubChem:CID10467
|
Local ready
Direct docking supported
|
|
E3L057153
BDB057153
|
Erucic Acid
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
|
C22H42O2 338.576000 |
DPUOLQHDNGRHBS-KTKRTIGZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50463967; PubChem:CID5281116
|
Local ready
Direct docking supported
|
|
E3L057154
BDB057154
|
BDBM50464041
O=C(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1
|
C27H22O3 394.470000 |
DGMLYRGMJHVKNC-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50464041; PubChem:CID145986026
|
Local ready
Direct docking supported
|
|
E3L057155
BDB057155
|
BDBM50464042
O=C(O)[C@H](Cc1ccc(-c2ccc(O[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1)Oc1ccc(-c2ccccc2)cc1
|
C36H30O6 558.630000 |
IIQJBVKNHBQWHS-HEVIKAOCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50464042; PubChem:CID145985838
|
Local ready
Direct docking supported
|
|
E3L057156
BDB057156
|
BDBM50464043
O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1
|
C27H22O3 394.470000 |
DGMLYRGMJHVKNC-SANMLTNESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50464043; PubChem:CID73167563
|
Local ready
Direct docking supported
|
|
E3L057157
BDB057157
|
BDBM50464044
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccc(C[C@@H](Oc3ccc(-c4ccccc4)cc3)C(=O)O)cc2)cc1
|
C36H30O6 558.630000 |
IIQJBVKNHBQWHS-SZAHLOSFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50464044; PubChem:CID145984248
|
Local ready
Direct docking supported
|
|
E3L057158
BDB057158
|
BDBM50464045
O=C(O)[C@H](Cc1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)cc1)Oc1ccc(-c2ccccc2)cc1
|
C36H30O6 558.630000 |
IIQJBVKNHBQWHS-NOCHOARKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50464045; PubChem:CID145986012
|
Local ready
Direct docking supported
|
|
E3L057159
BDB057159
|
BDBM50464046
O=C(O)[C@@H](Cc1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)cc1)Oc1ccc(-c2ccccc2)cc1
|
C36H30O6 558.630000 |
IIQJBVKNHBQWHS-KKLWWLSJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50464046; PubChem:CID145986189
|
Local ready
Direct docking supported
|
|
E3L057160
BDB057160
|
BDBM50464910
CC(C)CC1NCCc2cc(-c3nc4c(C(N)=O)cc(F)cc4[nH]3)sc21
|
C19H21FN4OS 372.469000 |
XNYVULHMPZSVEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50464910; PubChem:CID141466205
|
Local ready
Direct docking supported
|