| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000701
BDB000701
|
BDBM23728
COc1ccccc1OCC(=O)NNC(=O)c1cccs1
|
C14H14N2O4S 306.343000 |
IMYKQWRCRSFFBU-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM23728; PubChem:CID730175
|
Local ready
Direct docking supported
|
|
E3L000702
BDB000702
|
Resveratrol
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
|
C14H12O3 228.247000 |
LUKBXSAWLPMMSZ-OWOJBTEDSA-N | P37231, Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM23926; PubChem:CID445154
|
Local ready
Direct docking supported
|
|
E3L000703
BDB000703
|
2,3,7,8-Tetrachlorodibenzo-P-Dioxin
Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2
|
C12H4Cl4O2 321.974000 |
HGUFODBRKLSHSI-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23927; PubChem:CID15625
|
Local ready
Direct docking supported
|
|
E3L000704
BDB000704
|
Trismethoxyresveratrol
COc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
|
C17H18O3 270.328000 |
GDHNBPHYVRHYCC-SNAWJCMRSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23928; PubChem:CID5388063
|
Local ready
Direct docking supported
|
|
E3L000705
BDB000705
|
1,3-Dichloro-5-[(1E)-2-(4-chlorophenyl)ethenyl]-benzene
Clc1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1
|
C14H9Cl3 283.585000 |
JMYNPQVCVQVODQ-OWOJBTEDSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23929; PubChem:CID9838722
|
Local ready
Direct docking supported
|
|
E3L000706
BDB000706
|
1,3-difluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
COc1ccc(/C=C/c2cc(F)cc(F)c2)cc1
|
C15H12F2O 246.256000 |
JXXRRHGSTQRHIL-NSCUHMNNSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23930; PubChem:CID11425113
|
Local ready
Direct docking supported
|
|
E3L000707
BDB000707
|
1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benzene
Fc1ccc(/C=C/c2cc(F)cc(F)c2)cc1
|
C14H9F3 234.220000 |
AISCLLWJTMIDPD-OWOJBTEDSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23931; PubChem:CID11287739
|
Local ready
Direct docking supported
|
|
E3L000708
BDB000708
|
(E)-3,4',5-Tris(trifluoromethyl)stilbene
FC(F)(F)c1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
|
C17H9F9 384.241000 |
YWZOTDCCYHOIST-OWOJBTEDSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23932; PubChem:CID10407651
|
Local ready
Direct docking supported
|
|
E3L000709
BDB000709
|
1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxybenzene
COc1cc(/C=C/c2ccc(F)cc2)cc(OC)c1
|
C16H15FO2 258.292000 |
BXIQOACOSDGVBH-ONEGZZNKSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23933; PubChem:CID11414230
|
Local ready
Direct docking supported
|
|
E3L000710
BDB000710
|
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
|
C18H20O3 284.355000 |
KDXLDHCWXKUFFD-AATRIKPKSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23934; PubChem:CID11300595
|
Local ready
Direct docking supported
|
|
E3L000711
BDB000711
|
1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CCCCOc1ccc(/C=C/c2cc(OC)cc(OC)c2)cc1
|
C20H24O3 312.409000 |
DQKYFUQALKVCHH-VOTSOKGWSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23935; PubChem:CID11358876
|
Local ready
Direct docking supported
|
|
E3L000712
BDB000712
|
BDBM23936
FC(F)(F)c1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1
|
C15H9Cl2F3 317.137000 |
ISPYNXGXZRLLHM-OWOJBTEDSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23936; PubChem:CID11438491
|
Local ready
Direct docking supported
|
|
E3L000713
BDB000713
|
BDBM23937
COc1ccc(/C=C/c2cc(Cl)cc(Cl)c2)cc1
|
C15H12Cl2O 279.166000 |
YDVZIQMQLZBUKX-NSCUHMNNSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23937; PubChem:CID10062125
|
Local ready
Direct docking supported
|
|
E3L000714
BDB000714
|
BDBM23938
FC(F)(F)c1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1
|
C15H9Cl2F3 317.137000 |
FVJGGSMODLJBMK-SNAWJCMRSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23938; PubChem:CID11209303
|
Local ready
Direct docking supported
|
|
E3L000715
BDB000715
|
1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
COc1cccc(/C=C/c2cc(Cl)cc(Cl)c2)c1
|
C15H12Cl2O 279.166000 |
DKEUZBJTDBIIIQ-AATRIKPKSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23939; PubChem:CID11208222
|
Local ready
Direct docking supported
|
|
E3L000716
BDB000716
|
(Z)-3,5,4'-Trimethoxystilbene
COc1ccc(/C=C\c2cc(OC)cc(OC)c2)cc1
|
C17H18O3 270.328000 |
GDHNBPHYVRHYCC-PLNGDYQASA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23940; PubChem:CID9878556
|
Local ready
Direct docking supported
|
|
E3L000717
BDB000717
|
1,3-dichloro-5-[(Z)-2-(4-chlorophenyl)ethenyl]benzene
Clc1ccc(/C=C\c2cc(Cl)cc(Cl)c2)cc1
|
C14H9Cl3 283.585000 |
JMYNPQVCVQVODQ-UPHRSURJSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23941; PubChem:CID11266077
|
Local ready
Direct docking supported
|
|
E3L000718
BDB000718
|
1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
COc1ccc(/C=C\c2cc(F)cc(F)c2)cc1
|
C15H12F2O 246.256000 |
JXXRRHGSTQRHIL-IHWYPQMZSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23942; PubChem:CID11817441
|
Local ready
Direct docking supported
|
|
E3L000719
BDB000719
|
1,3-difluoro-5-[(Z)-2-(4-fluorophenyl)ethenyl]benzene
Fc1ccc(/C=C\c2cc(F)cc(F)c2)cc1
|
C14H9F3 234.220000 |
AISCLLWJTMIDPD-UPHRSURJSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23943; PubChem:CID11310856
|
Local ready
Direct docking supported
|
|
E3L000720
BDB000720
|
BDBM23944
FC(F)(F)c1ccc(/C=C\c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
|
C17H9F9 384.241000 |
YWZOTDCCYHOIST-UPHRSURJSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM23944; PubChem:CID11153316
|
Local ready
Direct docking supported
|