| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046561
BDB046561
|
BDBM50143015
O=C1NC(=O)C(Cc2ccc(OCc3cccc(Br)c3)cc2)S1
|
C17H14BrNO3S 392.274000 |
REXWEDIBMQCBQS-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50143015; PubChem:CID127027659
|
Local ready
Direct docking supported
|
|
E3L046562
BDB046562
|
BDBM50143016
O=C1NC(=O)C(Cc2ccc(OCc3ccc(Br)cc3)cc2)S1
|
C17H14BrNO3S 392.274000 |
NMCXQNCIPUROBB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50143016; PubChem:CID127025858
|
Local ready
Direct docking supported
|
|
E3L046563
BDB046563
|
BDBM50143043
O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3Cc3ccccc3)cc2)S1
|
C25H21N3O3S 443.528000 |
OGJMMQPQOZOCQR-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50143043; PubChem:CID127027730
|
Local ready
Direct docking supported
|
|
E3L046564
BDB046564
|
BDBM50143044
CC(C)Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21
|
C22H23N3O3S 409.511000 |
BRRDPENMDBWXNL-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50143044; PubChem:CID127027011
|
Local ready
Direct docking supported
|
|
E3L046565
BDB046565
|
BDBM50143045
C=CCn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21
|
C21H19N3O3S 393.468000 |
BJZVKFFTPXMECX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50143045; PubChem:CID127025866
|
Local ready
Direct docking supported
|
|
E3L046566
BDB046566
|
BDBM50143046
CC(C)n1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc21
|
C21H21N3O3S 395.484000 |
AEIZYQAAEIHWFN-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50143046; PubChem:CID127025867
|
Local ready
Direct docking supported
|
|
E3L046567
BDB046567
|
BDBM50144794
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1
|
C22H24F3NO3 407.432000 |
VGNKBVUEYVJVLE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144794; PubChem:CID127040583
|
Local ready
Direct docking supported
|
|
E3L046568
BDB046568
|
BDBM50144795
CCC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O
|
C20H20F3NO3 379.378000 |
FQJBOLIIHNNOAV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144795; PubChem:CID127040584
|
Local ready
Direct docking supported
|
|
E3L046569
BDB046569
|
BDBM50144796
CC/C(=C\c1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O
|
C20H18F3NO3 377.362000 |
BLLYPTCHZWPSSC-SDNWHVSQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144796; PubChem:CID127040585
|
Local ready
Direct docking supported
|
|
E3L046570
BDB046570
|
BDBM50144797
CCC(Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)C(=O)O
|
C20H20F3NO3 379.378000 |
WWAQGIRDUYUBMU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144797; PubChem:CID127041523
|
Local ready
Direct docking supported
|
|
E3L046571
BDB046571
|
BDBM50144798
CCOC(=O)C(C)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1
|
C21H22F3NO3 393.405000 |
NECJZYLZAOCUBL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144798; PubChem:CID127041821
|
Local ready
Direct docking supported
|
|
E3L046572
BDB046572
|
BDBM50144799
CC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O
|
C19H18F3NO3 365.351000 |
DCCNWCBAKAPIQY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144799; PubChem:CID127041822
|
Local ready
Direct docking supported
|
|
E3L046573
BDB046573
|
BDBM50144800
CCCC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)OCC
|
C23H26F3NO3 421.459000 |
PQHAVRUXNDRGCG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144800; PubChem:CID127042480
|
Local ready
Direct docking supported
|
|
E3L046574
BDB046574
|
BDBM50144801
CCCC(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O
|
C21H22F3NO3 393.405000 |
IQXVFJOGYQBIKG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144801; PubChem:CID127042481
|
Local ready
Direct docking supported
|
|
E3L046575
BDB046575
|
BDBM50144802
CCOC(=O)C(Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)c1ccccc1
|
C26H24F3NO3 455.476000 |
FOQHPXVXFPHZJP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144802; PubChem:CID127042482
|
Local ready
Direct docking supported
|
|
E3L046576
BDB046576
|
BDBM50144803
O=C(NCc1ccccc1C(F)(F)F)c1ccc(CC(C(=O)O)c2ccccc2)cc1
|
C24H20F3NO3 427.422000 |
ZPUVXDSRTWJOJN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144803; PubChem:CID127042483
|
Local ready
Direct docking supported
|
|
E3L046577
BDB046577
|
Ethyl 2-[[4-(benzylcarbamoyl)phenyl]methyl]butanoate
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccccc2)cc1
|
C21H25NO3 339.435000 |
MILRTCDQWFEEEQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144804; PubChem:CID127042485
|
Local ready
Direct docking supported
|
|
E3L046578
BDB046578
|
2-[[4-(Benzylcarbamoyl)phenyl]methyl]butanoic acid
CCC(Cc1ccc(C(=O)NCc2ccccc2)cc1)C(=O)O
|
C19H21NO3 311.381000 |
XWMXYOHQYYHQFP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144805; PubChem:CID127042486
|
Local ready
Direct docking supported
|
|
E3L046579
BDB046579
|
BDBM50144829
CCC(Cc1ccc(C(=O)NCc2ccccc2C)cc1)C(=O)O
|
C20H23NO3 325.408000 |
BPXISJBZFLMUBC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144829; PubChem:CID127039678
|
Local ready
Direct docking supported
|
|
E3L046580
BDB046580
|
BDBM50144830
CCOC(=O)C(CC)Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1
|
C22H24F3NO4 423.431000 |
SDTFUYCCBVQXCF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50144830; PubChem:CID127039682
|
Local ready
Direct docking supported
|