| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059061
BDB059061
|
BDBM50521949
CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(I)cc3)c2n1
|
C18H18IN3O2 435.265000 |
AZJAKSUKRQSSES-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521949; PubChem:CID141707372
|
Local ready
Direct docking supported
|
|
E3L059062
BDB059062
|
BDBM50521950
CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12
|
C19H18ClN3O2 355.825000 |
MRLQBHDMGLPEAW-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521950; PubChem:CID141707380
|
Local ready
Direct docking supported
|
|
E3L059063
BDB059063
|
BDBM50521951
CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2n1
|
C18H18ClN3O2 343.814000 |
GPXRRUDPSLQBLD-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521951; PubChem:CID141707373
|
Local ready
Direct docking supported
|
|
E3L059064
BDB059064
|
BDBM50521952
CC(C)c1nn(-c2cccc(Cl)c2)c2nc(C3CC3)cc(C(=O)O)c12
|
C19H18ClN3O2 355.825000 |
HRSFEXDILLUXIK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521952; PubChem:CID141707377
|
Local ready
Direct docking supported
|
|
E3L059065
BDB059065
|
BDBM50521953
CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Br)cc3)c2n1
|
C18H18BrN3O2 388.265000 |
IXYBOOBPHSATEY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521953; PubChem:CID141707379
|
Local ready
Direct docking supported
|
|
E3L059066
BDB059066
|
BDBM50521954
CC(C)c1nn(-c2ccc(Br)cc2)c2nc(C3CC3)cc(C(=O)O)c12
|
C19H18BrN3O2 400.276000 |
PASWNRXWQARAMT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521954; PubChem:CID141707374
|
Local ready
Direct docking supported
|
|
E3L059067
BDB059067
|
BDBM50521955
Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
|
C17H16FN3O2 313.332000 |
NILAXMXJVAPBFA-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521955; PubChem:CID25247546
|
Local ready
Direct docking supported
|
|
E3L059068
BDB059068
|
BDBM50521956
CC(C)c1nn(-c2ccc(Cl)cc2)c2nc(-c3ccccc3)cc(C(=O)O)c12
|
C22H18ClN3O2 391.858000 |
RCEVFFLFMQPFTH-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521956; PubChem:CID151689224
|
Local ready
Direct docking supported
|
|
E3L059069
BDB059069
|
BDBM50521957
CCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(=O)O)c12
|
C18H18ClN3O2 343.814000 |
NOVVKTYAIMJVHC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521957; PubChem:CID155525414
|
Local ready
Direct docking supported
|
|
E3L059070
BDB059070
|
BDBM50521958
CCc1cc(C(=O)O)c2c(C(CC)CC)nn(-c3ccc(F)cc3)c2n1
|
C20H22FN3O2 355.413000 |
IJUSQKANLCHLHY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521958; PubChem:CID146036004
|
Local ready
Direct docking supported
|
|
E3L059071
BDB059071
|
BDBM50521959
CCC(CC)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(=O)O)c12
|
C19H20ClN3O2 357.841000 |
SAJJODDKYDBBLM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521959; PubChem:CID155547028
|
Local ready
Direct docking supported
|
|
E3L059072
BDB059072
|
BDBM50521960
Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Br)cc3)c2n1
|
C17H16BrN3O2 374.238000 |
JIPFGOFGSWBWLJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521960; PubChem:CID141707375
|
Local ready
Direct docking supported
|
|
E3L059073
BDB059073
|
BDBM50521961
Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(I)cc3)c2n1
|
C17H16IN3O2 421.238000 |
PTXMOFSOXWQARM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521961; PubChem:CID141707376
|
Local ready
Direct docking supported
|
|
E3L059074
BDB059074
|
BDBM50521962
CCC(CC)c1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)O)c12
|
C19H20FN3O2 341.386000 |
CRTIOMKZYDEYOT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521962; PubChem:CID155569383
|
Local ready
Direct docking supported
|
|
E3L059075
BDB059075
|
BDBM50521963
CCc1cc(C(=O)O)c2c(C(CC)CC)nn(-c3ccc(Cl)cc3)c2n1
|
C20H22ClN3O2 371.868000 |
KQOHIJYTBRKKNU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521963; PubChem:CID155543073
|
Local ready
Direct docking supported
|
|
E3L059076
BDB059076
|
BDBM50521964
CCc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)cc3)c2n1
|
C18H18ClN3O2 343.814000 |
QYEUBDZPTZNDEF-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521964; PubChem:CID141707382
|
Local ready
Direct docking supported
|
|
E3L059077
BDB059077
|
BDBM50521965
CCC(C)c1nn(-c2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)O)c12
|
C20H20ClN3O2 369.852000 |
OZINAMPYZYKWJV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50521965; PubChem:CID155510528
|
Local ready
Direct docking supported
|
|
E3L059078
BDB059078
|
BDBM50522319
O=c1[nH]c(N2CCC3(CC2)CN(CCO)c2cccc(F)c23)nc2c1CCCC2
|
C22H27FN4O2 398.482000 |
JMJMHZKQKKROFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522319; PubChem:CID155543325
|
Local ready
Direct docking supported
|
|
E3L059079
BDB059079
|
BDBM50522320
COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1
|
C19H24N4O2 340.427000 |
OQNRYQMRIGYPGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522320; PubChem:CID135652704
|
Local ready
Direct docking supported
|
|
E3L059080
BDB059080
|
BDBM50522321
COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)COCC3)CC1
|
C18H22N4O3 342.399000 |
PTEZEXVUZXGCLZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50522321; PubChem:CID155532212
|
Local ready
Direct docking supported
|