| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063181
BDB063181
|
BDBM50614640
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C27H32F4N2O4 524.555000 |
WGYIJLVIRQSKEY-QSWVLOPZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614640; PubChem:CID90158303
|
Local ready
Direct docking supported
|
|
E3L063182
BDB063182
|
BDBM50614641
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C27H35FN2O5 486.584000 |
ZIQABFNYIRETPN-GPDRCSLYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614641; PubChem:CID171357267
|
Local ready
Direct docking supported
|
|
E3L063183
BDB063183
|
BDBM50614642
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC(F)F)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C27H33F3N2O5 522.564000 |
SGWOUDFBKVSCMD-VNRYTLISSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614642; PubChem:CID171352410
|
Local ready
Direct docking supported
|
|
E3L063184
BDB063184
|
BDBM50614643
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](c5ccccc5)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C32H37FN2O4 532.656000 |
CSUJNCWYQQOYLV-YBRBFLOUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614643; PubChem:CID171346336
|
Local ready
Direct docking supported
|
|
E3L063185
BDB063185
|
BDBM50614644
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@](C)(OC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C28H37FN2O5 500.611000 |
QXPUAHZIVOSACH-ZAESVHBDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614644; PubChem:CID171353936
|
Local ready
Direct docking supported
|
|
E3L063186
BDB063186
|
BDBM50614645
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4CC(C)(C)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C28H37FN2O4 484.612000 |
HJSFLAWFGNKFEC-BNIKKZEQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614645; PubChem:CID171350412
|
Local ready
Direct docking supported
|
|
E3L063187
BDB063187
|
BDBM50614646
COc1cc(N2CC[C@@H](Oc3ccc(N4CC[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1
|
C25H32ClN3O4 474.001000 |
VNPAAQMJTUDGSS-ITZJAJSESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614646; PubChem:CID134410980
|
Local ready
Direct docking supported
|
|
E3L063188
BDB063188
|
BDBM50614647
COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](C(F)(F)F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1
|
C26H31ClF3N3O4 541.998000 |
DVBKNRBBPCQEMF-HVTCLMGNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614647; PubChem:CID171355241
|
Local ready
Direct docking supported
|
|
E3L063189
BDB063189
|
BDBM50614648
COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](F)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1
|
C25H31ClFN3O4 491.991000 |
CYIZNYHHAGFMBN-YLZPZURSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614648; PubChem:CID171358012
|
Local ready
Direct docking supported
|
|
E3L063190
BDB063190
|
BDBM50614649
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OC)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C28H37FN2O5 500.611000 |
KIUPVNMVKISNAG-DSBQABJBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614649; PubChem:CID171342516
|
Local ready
Direct docking supported
|
|
E3L063191
BDB063191
|
BDBM50614650
COc1cc(N2CC[C@@H](Oc3ccc(N4C[C@H](F)[C@@H](OC)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c(Cl)cn1
|
C25H31ClFN3O5 507.990000 |
GOIBKNSIPDPUKI-CEWBVGSFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614650; PubChem:CID171346699
|
Local ready
Direct docking supported
|
|
E3L063192
BDB063192
|
BDBM50614651
CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](Oc5ccccc5)C[C@@H]4CC(=O)O)cc3)CC2)c1
|
C31H35FN2O5 534.628000 |
RJDFZNGVFGYXBP-QDPGVEIFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614651; PubChem:CID90175473
|
Local ready
Direct docking supported
|
|
E3L063193
BDB063193
|
BDBM50614652
CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](Oc5cccc(OC)c5)C[C@@H]4CC(=O)O)cc3)CC2)c1
|
C32H37FN2O6 564.654000 |
CDUOWTOOBOEPQY-RNWIMVQKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614652; PubChem:CID90175487
|
Local ready
Direct docking supported
|
|
E3L063194
BDB063194
|
BDBM50614653
CCOc1ccc(F)c(N2CCC(Oc3ccc(N4C[C@H](OCCCOC)C[C@@H]4CC(=O)O)cc3)CC2)c1
|
C29H39FN2O6 530.637000 |
VZXNHQJRGRHQLM-ATIYNZHBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614653; PubChem:CID118497306
|
Local ready
Direct docking supported
|
|
E3L063195
BDB063195
|
BDBM50614654
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCOC)C[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C30H41FN2O6 544.664000 |
SOQDYKVEAAMNHX-KVFVXYHUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614654; PubChem:CID171342876
|
Local ready
Direct docking supported
|
|
E3L063196
BDB063196
|
BDBM50614655
CCOc1ccc(F)c(N2CC[C@@H](Oc3ccc(N4C[C@H](OCCCOC)[C@@H](C)[C@@H]4CC(=O)O)cc3)[C@H](C)C2)c1
|
C31H43FN2O6 558.691000 |
NZLOVHNRCBOONY-FTYUDISHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50614655; PubChem:CID171354620
|
Local ready
Direct docking supported
|
|
E3L063197
BDB063197
|
BDBM50614762
CS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2
|
C14H16BrN3O3S 386.271000 |
PTJHYSBTEDYVLZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50614762; PubChem:CID53029828
|
Local ready
Direct docking supported
|
|
E3L063198
BDB063198
|
BDBM50614962
COc1ccc(S(=O)(=O)Nc2ccc(N3CCCCCC3)cc2C(=O)O)cc1
|
C20H24N2O5S 404.488000 |
NLHRPSGJSBXNSG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50614962; PubChem:CID46325254
|
Local ready
Direct docking supported
|
|
E3L063199
BDB063199
|
BDBM50614963
Cc1ccc(C(CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3)cc1
|
C22H25NO3 351.446000 |
IRCYEUOLXYXORC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50614963; PubChem:CID42884826
|
Local ready
Direct docking supported
|
|
E3L063200
BDB063200
|
BDBM50614964
Cc1ccc([C@@H](CC(=O)O)NC(=O)Cc2ccc3c(c2)CCCC3)cc1
|
C22H25NO3 351.446000 |
IRCYEUOLXYXORC-HXUWFJFHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50614964; PubChem:CID25577331
|
Local ready
Direct docking supported
|