| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062541
BDB062541
|
Ethyl 2-methyl-2-(3-pentadecylphenoxy)propanoate
CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1
|
C27H46O3 418.662000 |
CUHHJCVKNPPRKL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50603421; PubChem:CID118534004
|
Local ready
Direct docking supported
|
|
E3L062542
BDB062542
|
2-(3-Pentadecylphenoxy)acetic acid
CCCCCCCCCCCCCCCc1cccc(OCC(=O)O)c1
|
C23H38O3 362.554000 |
UESKGTSLDNVZTD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50603422; PubChem:CID203275
|
Local ready
Direct docking supported
|
|
E3L062543
BDB062543
|
Propanoic acid, 2-methyl-2-(3-pentadecylphenoxy)-
CCCCCCCCCCCCCCCc1cccc(OC(C)(C)C(=O)O)c1
|
C25H42O3 390.608000 |
SQSAOEAQCNWNBE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50603423; PubChem:CID3066832
|
Local ready
Direct docking supported
|
|
E3L062544
BDB062544
|
ethyl 2-[3-[(Z)-pentadec-8-enyl]phenoxy]acetate
CCCCCC/C=C\CCCCCCCc1cccc(OCC(=O)OCC)c1
|
C25H40O3 388.592000 |
WPJUNGSMJWIICZ-KTKRTIGZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50603424; PubChem:CID168284867
|
Local ready
Direct docking supported
|
|
E3L062545
BDB062545
|
BDBM50603425
CCCCCC/C=C\CCCCCCCc1cccc(OC(C)(C)C(=O)OCC)c1
|
C27H44O3 416.646000 |
AHZAMYALIFSBPS-QXMHVHEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50603425; PubChem:CID168284598
|
Local ready
Direct docking supported
|
|
E3L062546
BDB062546
|
2-[3-[(Z)-pentadec-8-enyl]phenoxy]acetic acid
CCCCCC/C=C\CCCCCCCc1cccc(OCC(=O)O)c1
|
C23H36O3 360.538000 |
WWDTUIUGMDAGPP-FPLPWBNLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50603426; PubChem:CID168285472
|
Local ready
Direct docking supported
|
|
E3L062547
BDB062547
|
BDBM50603427
CCCCCC/C=C\CCCCCCCc1cccc(OC(C)(C)C(=O)O)c1
|
C25H40O3 388.592000 |
CIMPQGIVIDVYGC-KTKRTIGZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50603427; PubChem:CID168288255
|
Local ready
Direct docking supported
|
|
E3L062548
BDB062548
|
BDBM50603528
[O-][n+]1c(-c2ccc(Cl)cc2)nc2ccccn21
|
C12H8ClN3O 245.669000 |
BXVJKKHVSDACSH-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603528; PubChem:CID10467069
|
Local ready
Direct docking supported
|
|
E3L062549
BDB062549
|
BDBM50603529
[O-][n+]1c(-c2ccc(Br)cc2)nc2ccccn21
|
C12H8BrN3O 290.120000 |
JRFNVZYJIQMZNX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603529; PubChem:CID168271938
|
Local ready
Direct docking supported
|
|
E3L062550
BDB062550
|
BDBM50603530
[O-][n+]1c(-c2ccc(F)cc2)nc2ccccn21
|
C12H8FN3O 229.214000 |
WINXNZODLQNKRJ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603530; PubChem:CID168284283
|
Local ready
Direct docking supported
|
|
E3L062551
BDB062551
|
BDBM50603531
[O-][n+]1c(-c2ccncc2)nc2ccccn21
|
C11H8N4O 212.212000 |
NHTKUUZZZLGMJS-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603531; PubChem:CID168271602
|
Local ready
Direct docking supported
|
|
E3L062552
BDB062552
|
BDBM50603532
[O-][n+]1c(-c2ccc3ccccc3c2)nc2ccccn21
|
C16H11N3O 261.284000 |
JBUNPPZHFJRXSJ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603532; PubChem:CID168296816
|
Local ready
Direct docking supported
|
|
E3L062553
BDB062553
|
BDBM50603533
COC(=O)c1ccc(-c2nc3ccccn3[n+]2[O-])cc1
|
C14H11N3O3 269.260000 |
NKFZXASNERKRGI-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603533; PubChem:CID168271069
|
Local ready
Direct docking supported
|
|
E3L062554
BDB062554
|
BDBM50603534
[O-][n+]1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2ccccn21
|
C16H10ClN3O2 311.728000 |
SPKDTVPLBMOZBX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603534; PubChem:CID168290667
|
Local ready
Direct docking supported
|
|
E3L062555
BDB062555
|
BDBM50603535
[O-][n+]1c(-c2ccc(Br)nc2)nc2ccccn21
|
C11H7BrN4O 291.108000 |
WLIAZUBBZBOBOS-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603535; PubChem:CID168271547
|
Local ready
Direct docking supported
|
|
E3L062556
BDB062556
|
BDBM50603536
COc1ccc(-c2nc3ccccn3[n+]2[O-])cc1
|
C13H11N3O2 241.250000 |
HVCWKISNZSUDJF-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603536; PubChem:CID168290736
|
Local ready
Direct docking supported
|
|
E3L062557
BDB062557
|
BDBM50603537
[O-][n+]1c(-c2cccnc2)nc2ccccn21
|
C11H8N4O 212.212000 |
HAYKOAYFWFXAQJ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603537; PubChem:CID168283947
|
Local ready
Direct docking supported
|
|
E3L062558
BDB062558
|
BDBM50603538
[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(Br)cn21
|
C12H7Br2N3O 369.016000 |
QPYOCBVCWHCXFU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603538; PubChem:CID1117930
|
Local ready
Direct docking supported
|
|
E3L062559
BDB062559
|
BDBM50603539
[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(Cl)cn21
|
C12H7BrClN3O 324.565000 |
ZHHDPBPMHUGJCU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603539; PubChem:CID30226470
|
Local ready
Direct docking supported
|
|
E3L062560
BDB062560
|
BDBM50603540
[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(F)cn21
|
C12H7BrFN3O 308.110000 |
SEYHSQJDXUQKEU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603540; PubChem:CID168281539
|
Local ready
Direct docking supported
|