| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056761
BDB056761
|
BDBM50450221
COc1ccccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C23H20N2O5 404.422000 |
WSJFFCYHXVMMTO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450221; PubChem:CID145948051
|
Local ready
Direct docking supported
|
|
E3L056762
BDB056762
|
BDBM50450222
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(Cl)cc3)cc21
|
C22H17ClN2O4 408.841000 |
ROYGPAWRTBPLER-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50450222; PubChem:CID145959160
|
Local ready
Direct docking supported
|
|
E3L056763
BDB056763
|
BDBM50450223
Cc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
|
C23H20N2O4 388.423000 |
MNGGGBQXJDLEQD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450223; PubChem:CID68661587
|
Local ready
Direct docking supported
|
|
E3L056764
BDB056764
|
BDBM50450224
Cc1ccccc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C23H20N2O4 388.423000 |
SCAVRSDDRZCUBI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50450224; PubChem:CID68662186
|
Local ready
Direct docking supported
|
|
E3L056765
BDB056765
|
BDBM50450225
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)cc3)cc21
|
C22H17FN2O4 392.386000 |
OCHMHCSHKCGIDN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450225; PubChem:CID68662238
|
Local ready
Direct docking supported
|
|
E3L056766
BDB056766
|
BDBM50450226
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3F)cc21
|
C22H17FN2O4 392.386000 |
FMLRUHQFPJCTNZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450226; PubChem:CID68662112
|
Local ready
Direct docking supported
|
|
E3L056767
BDB056767
|
BDBM50450227
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(C(F)(F)F)c3)cc21
|
C23H17F3N2O4 442.393000 |
TZIVOYVCQJLESL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450227; PubChem:CID68661584
|
Local ready
Direct docking supported
|
|
E3L056768
BDB056768
|
BDBM50450228
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(F)c3F)cc21
|
C22H16F2N2O4 410.376000 |
JXNNRUVERHNPNG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450228; PubChem:CID145956965
|
Local ready
Direct docking supported
|
|
E3L056769
BDB056769
|
BDBM50450229
Cc1ccc(F)c(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
|
C23H19FN2O4 406.413000 |
ROFDHFZEEIUMCW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450229; PubChem:CID68661767
|
Local ready
Direct docking supported
|
|
E3L056770
BDB056770
|
BDBM50450230
Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)ccc1F
|
C23H19FN2O4 406.413000 |
DQEWXMXGRFCOAP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450230; PubChem:CID68662014
|
Local ready
Direct docking supported
|
|
E3L056771
BDB056771
|
BDBM50450231
Cc1cc(F)cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
|
C23H19FN2O4 406.413000 |
KEVFHNIGURCNTA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450231; PubChem:CID68661621
|
Local ready
Direct docking supported
|
|
E3L056772
BDB056772
|
BDBM50450232
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)c(Cl)c3)cc21
|
C22H16ClFN2O4 426.831000 |
QBSLTANUOSOJTA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450232; PubChem:CID25115505
|
Local ready
Direct docking supported
|
|
E3L056773
BDB056773
|
BDBM50450233
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)CCO4)cc21
|
C24H20N2O5 416.433000 |
TVXOJZYVUZIRKM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450233; PubChem:CID145947130
|
Local ready
Direct docking supported
|
|
E3L056774
BDB056774
|
BDBM50450234
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4ccoc4c3)cc21
|
C24H18N2O5 414.417000 |
VRMCTHIBYGIXEY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50450234; PubChem:CID145951206
|
Local ready
Direct docking supported
|
|
E3L056775
BDB056775
|
Rivoglitazone
COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1
|
C20H19N3O4S 397.456000 |
XMSXOLDPMGMWTH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450235; PubChem:CID3055168
|
Local ready
Direct docking supported
|
|
E3L056776
BDB056776
|
Efatutazone
Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N
|
C27H26N4O4S 502.596000 |
JCYNMRJCUYVDBC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450236; PubChem:CID9832447
|
Local ready
Direct docking supported
|
|
E3L056777
BDB056777
|
BDBM50450237
CCc1ccc2ccc(F)cc2c1CNC(=O)c1c(OC)cc(O)c2c1OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
|
C30H26FNO7 531.536000 |
BOMGJYPXXOXOEC-SSEXGKCCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450237; PubChem:CID16064438
|
Local ready
Direct docking supported
|
|
E3L056778
BDB056778
|
BDBM50450238
Cc1cc(Oc2ccc3nc(COc4ccccc4)n(C)c3c2)cc(C)c1N
|
C23H23N3O2 373.456000 |
WOKBMKSIQJDGLG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450238; PubChem:CID145947786
|
Local ready
Direct docking supported
|
|
E3L056779
BDB056779
|
BDBM50450239
CC(=O)c1ccccc1OCc1nc2ccc(Oc3cc(C)c(N)c(C)c3)cc2n1C
|
C25H25N3O3 415.493000 |
CPZGFPNXJPLOHD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450239; PubChem:CID145946657
|
Local ready
Direct docking supported
|
|
E3L056780
BDB056780
|
BDBM50450240
CC(=O)c1cccc(OCc2nc3ccc(Oc4cc(C)c(N)c(C)c4)cc3n2C)c1
|
C25H25N3O3 415.493000 |
RIDJLUVDAFRICJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450240; PubChem:CID145946295
|
Local ready
Direct docking supported
|