| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052201
BDB052201
|
BDBM50314950
COc1cc(O)c2c(c1C(=O)NCc1ccco1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C22H19NO8 425.393000 |
GJKHIOBGLWETRW-VXNXSFHZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314950; PubChem:CID91937088
|
Local ready
Direct docking supported
|
|
E3L052202
BDB052202
|
BDBM50314951
COc1cccc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)c1
|
C25H23NO8 465.458000 |
UDNACEJSOUNCIR-OPEAARRCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314951; PubChem:CID91323223
|
Local ready
Direct docking supported
|
|
E3L052203
BDB052203
|
BDBM50314952
COc1ccc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)cc1
|
C25H23NO8 465.458000 |
YLKJOWOTWDVYGP-OPEAARRCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314952; PubChem:CID90794163
|
Local ready
Direct docking supported
|
|
E3L052204
BDB052204
|
BDBM50314953
COc1cc(O)c2c(c1C(=O)NCc1ccccc1[N+](=O)[O-])OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C24H20N2O9 480.429000 |
QKUCLXXYMWQLLW-VCUSLETLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314953; PubChem:CID91937089
|
Local ready
Direct docking supported
|
|
E3L052205
BDB052205
|
BDBM50314954
COc1cc(O)c2c(c1C(=O)NCc1cccc([N+](=O)[O-])c1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C24H20N2O9 480.429000 |
JHBIBJNKBJSMBX-VCUSLETLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314954; PubChem:CID91937090
|
Local ready
Direct docking supported
|
|
E3L052206
BDB052206
|
BDBM50314955
COc1cc(O)c2c(c1C(=O)NCc1ccc([N+](=O)[O-])cc1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C24H20N2O9 480.429000 |
CCJBDZAVHPSFGV-VCUSLETLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314955; PubChem:CID91937091
|
Local ready
Direct docking supported
|
|
E3L052207
BDB052207
|
BDBM50314956
COc1cc(O)c2c(c1C(=O)NCc1ccccc1Cl)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C24H20ClNO7 469.877000 |
BQPQIYVGYSITGQ-VCUSLETLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314956; PubChem:CID90975983
|
Local ready
Direct docking supported
|
|
E3L052208
BDB052208
|
BDBM50314957
COc1cc(O)c2c(c1C(=O)NCc1cccc(Cl)c1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C24H20ClNO7 469.877000 |
IKNUHHFPIGGWGG-VCUSLETLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314957; PubChem:CID91937092
|
Local ready
Direct docking supported
|
|
E3L052209
BDB052209
|
BDBM50314958
COc1cc(O)c2c(c1C(=O)NCc1ccc(Cl)cc1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C24H20ClNO7 469.877000 |
WQKCWAQHIAXILN-VCUSLETLSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314958; PubChem:CID91431262
|
Local ready
Direct docking supported
|
|
E3L052210
BDB052210
|
BDBM50314959
COc1cc(O)c2c(c1C(=O)NCc1cccnc1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C23H20N2O7 436.420000 |
LDOITAQBXLFHNK-IRCUZVAFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314959; PubChem:CID91602892
|
Local ready
Direct docking supported
|
|
E3L052211
BDB052211
|
BDBM50314960
COc1cc(O)c2c(c1C(=O)NCc1ccoc1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C22H19NO8 425.393000 |
WHSFRVJGLYSTGR-VXNXSFHZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314960; PubChem:CID91937093
|
Local ready
Direct docking supported
|
|
E3L052212
BDB052212
|
BDBM50314961
COc1cc(O)c2c(c1C(=O)NCc1cccs1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C22H19NO7S 441.461000 |
ZBSVXVHEJFDRBW-VXNXSFHZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314961; PubChem:CID91937094
|
Local ready
Direct docking supported
|
|
E3L052213
BDB052213
|
BDBM50314962
COc1cc(O)c2c(c1C(=O)NCc1ccsc1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C22H19NO7S 441.461000 |
JOMITTWBURKCKO-VXNXSFHZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314962; PubChem:CID91937095
|
Local ready
Direct docking supported
|
|
E3L052214
BDB052214
|
BDBM50314963
COc1cc(O)c2c(c1C(=O)NCc1cc3ccccc3o1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C26H21NO8 475.453000 |
ZEBGZGXPWDLBBS-NBXNUCLWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314963; PubChem:CID91937096
|
Local ready
Direct docking supported
|
|
E3L052215
BDB052215
|
BDBM50314964
COC1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1cc2ccccc2s1)OC1=CC(=O)C(C(C)=O)C(=O)[C@]13C
|
C28H22N2O9S 562.556000 |
YZNQUVSKDZYJGQ-GLOQRKISSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50314964; PubChem:CID91937097
|
Local ready
Direct docking supported
|
|
E3L052216
BDB052216
|
BDBM50315306
Cc1cccc(N2CCN([C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)C(=O)O)CC2)c1
|
C32H35N3O4 525.649000 |
YSIKJTJEIXXRFY-PMERELPUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50315306; PubChem:CID11649387
|
Local ready
Direct docking supported
|
|
E3L052217
BDB052217
|
BDBM50315307
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1
|
C31H33N3O4 511.622000 |
UPIYDXBFDHHLNA-LJAQVGFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50315307; PubChem:CID11526339
|
Local ready
Direct docking supported
|
|
E3L052218
BDB052218
|
BDBM50315308
Cc1ccc(N2CCN([C@@H](Cc3ccc(OCCc4nc(-c5ccccc5)oc4C)cc3)C(=O)O)CC2)cc1
|
C32H35N3O4 525.649000 |
QXCRJOCNSUIZAU-PMERELPUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50315308; PubChem:CID46884868
|
Local ready
Direct docking supported
|
|
E3L052219
BDB052219
|
BDBM50315309
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(c3cccc(Cl)c3)CC2)cc1
|
C31H32ClN3O4 546.067000 |
YINHHOIJNKUMLH-LJAQVGFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315309; PubChem:CID11570226
|
Local ready
Direct docking supported
|
|
E3L052220
BDB052220
|
BDBM50315310
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)cc1Br
|
C31H32BrN3O4 590.518000 |
AYWYSNRRZSYRTP-NDEPHWFRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50315310; PubChem:CID11512673
|
Local ready
Direct docking supported
|