| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046581
BDB046581
|
BDBM50144831
CCC(Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1)C(=O)O
|
C20H20F3NO4 395.377000 |
RMSIGOGMZNVDQZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144831; PubChem:CID127039683
|
Local ready
Direct docking supported
|
|
E3L046582
BDB046582
|
BDBM50144832
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1
|
C21H24FNO3 357.425000 |
UILFXRVULPWIAC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144832; PubChem:CID127038538
|
Local ready
Direct docking supported
|
|
E3L046583
BDB046583
|
BDBM50144833
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1
|
C22H24F3NO3 407.432000 |
YITQEDLTQQZNTD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144833; PubChem:CID127041516
|
Local ready
Direct docking supported
|
|
E3L046584
BDB046584
|
BDBM50144834
CCC(Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1)C(=O)O
|
C20H20F3NO3 379.378000 |
ITPZHTIFMDNXPY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50144834; PubChem:CID127042123
|
Local ready
Direct docking supported
|
|
E3L046585
BDB046585
|
BDBM50144848
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1
|
C22H24F3NO4 423.431000 |
GVVXAWYQJHOZKA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50144848; PubChem:CID127042124
|
Local ready
Direct docking supported
|
|
E3L046586
BDB046586
|
BDBM50144868
CCC(Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O
|
C20H20F3NO4 395.377000 |
UXMZTVMTKYVXFH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144868; PubChem:CID127042456
|
Local ready
Direct docking supported
|
|
E3L046587
BDB046587
|
BDBM50144876
CCC(Cc1ccc(C(=O)NCc2ccc(OC)cc2)cc1)C(=O)O
|
C20H23NO4 341.407000 |
AMJJLPBLUKDOSQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144876; PubChem:CID127042458
|
Local ready
Direct docking supported
|
|
E3L046588
BDB046588
|
BDBM50144884
CCC(Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)C(=O)O
|
C19H20ClNO3 345.826000 |
XCBROCCYANLSNG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144884; PubChem:CID127042459
|
Local ready
Direct docking supported
|
|
E3L046589
BDB046589
|
BDBM50144885
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1
|
C27H29NO4 431.532000 |
MJRGFZHRIYKDOQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50144885; PubChem:CID127042143
|
Local ready
Direct docking supported
|
|
E3L046590
BDB046590
|
BDBM50144886
CCC(Cc1ccc(C(=O)NCc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C25H25NO4 403.478000 |
UBDKILMGVHORMH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144886; PubChem:CID127042144
|
Local ready
Direct docking supported
|
|
E3L046591
BDB046591
|
BDBM50144888
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1
|
C22H23F4NO3 425.422000 |
HPFASYIOEYOIPX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144888; PubChem:CID127042145
|
Local ready
Direct docking supported
|
|
E3L046592
BDB046592
|
BDBM50144890
CCC(Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1)C(=O)O
|
C20H19F4NO3 397.368000 |
YXMOEHIXSLPFBY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144890; PubChem:CID127042146
|
Local ready
Direct docking supported
|
|
E3L046593
BDB046593
|
BDBM50144891
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1
|
C23H26F3NO4 437.458000 |
HJNVLJZKIQOOIS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144891; PubChem:CID127042147
|
Local ready
Direct docking supported
|
|
E3L046594
BDB046594
|
BDBM50144892
CCC(Cc1ccc(C(=O)NCc2ccc(OC)cc2C(F)(F)F)cc1)C(=O)O
|
C21H22F3NO4 409.404000 |
VPAHYLNIDWFBPW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144892; PubChem:CID127042148
|
Local ready
Direct docking supported
|
|
E3L046595
BDB046595
|
BDBM50145085
O=c1[nH]nc2c3c(cccc13)NC(c1ccccc1)C2c1ccccc1
|
C22H17N3O 339.398000 |
UUVSFNPIVJBHLF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145085; PubChem:CID136186300
|
Local ready
Direct docking supported
|
|
E3L046596
BDB046596
|
BDBM50145086
CN(C)Cc1ccc(C2c3n[nH]c(=O)c4cccc(c34)NC2c2ccccc2)cc1
|
C25H24N4O 396.494000 |
JWHYKKKANGIQHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145086; PubChem:CID136344736
|
Local ready
Direct docking supported
|
|
E3L046597
BDB046597
|
BDBM50145087
CN(C)Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccccc2)cc1
|
C25H24N4O 396.494000 |
JIVGZFFEZKZOGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145087; PubChem:CID136385260
|
Local ready
Direct docking supported
|
|
E3L046598
BDB046598
|
BDBM50145088
CN(C)Cc1cccc(C2c3n[nH]c(=O)c4cccc(c34)NC2c2ccccc2)c1
|
C25H24N4O 396.494000 |
JROUHZIBVBIHNE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145088; PubChem:CID136385284
|
Local ready
Direct docking supported
|
|
E3L046599
BDB046599
|
BDBM50145089
CN(C)Cc1cccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccccc2)c1
|
C25H24N4O 396.494000 |
SNFZYJVSHCYGBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145089; PubChem:CID136130844
|
Local ready
Direct docking supported
|
|
E3L046600
BDB046600
|
BDBM50145090
CN(C)Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccc(CN(C)C)cc2)cc1
|
C28H31N5O 453.590000 |
UMCZUCYEMNNRPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145090; PubChem:CID136385211
|
Local ready
Direct docking supported
|