| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062561
BDB062561
|
BDBM50603541
Cc1ccc2nc(-c3ccc(Br)cc3)[n+]([O-])n2c1
|
C13H10BrN3O 304.147000 |
DNMSPEWICLLTFZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603541; PubChem:CID168295180
|
Local ready
Direct docking supported
|
|
E3L062562
BDB062562
|
BDBM50603542
N#Cc1ccc2nc(-c3ccc(Br)cc3)[n+]([O-])n2c1
|
C13H7BrN4O 315.130000 |
MYQNAOIKTNTEGP-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603542; PubChem:CID168283339
|
Local ready
Direct docking supported
|
|
E3L062563
BDB062563
|
BDBM50603543
[O-][n+]1c(-c2ccc(Br)cc2)nc2ccc(C(F)(F)F)cn21
|
C13H7BrF3N3O 358.117000 |
UAQROUWDBZLODA-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603543; PubChem:CID168270818
|
Local ready
Direct docking supported
|
|
E3L062564
BDB062564
|
BDBM50603544
[O-][n+]1c(-c2ccc(Br)cc2)nc2cc(Br)ccn21
|
C12H7Br2N3O 369.016000 |
NITPQHYXQREJIT-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603544; PubChem:CID168287136
|
Local ready
Direct docking supported
|
|
E3L062565
BDB062565
|
BDBM50603545
[O-][n+]1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn21
|
C12H7BrClN3O 324.565000 |
QQISVBCXYHRRPX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603545; PubChem:CID168285460
|
Local ready
Direct docking supported
|
|
E3L062566
BDB062566
|
BDBM50603546
[O-][n+]1c(-c2ccc(Br)cc2)nc2cc(F)ccn21
|
C12H7BrFN3O 308.110000 |
NGJONMBCBVRZOY-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603546; PubChem:CID168296550
|
Local ready
Direct docking supported
|
|
E3L062567
BDB062567
|
BDBM50603547
[O-][n+]1c(-c2ccc(Br)cc2)nc2c(Br)cccn21
|
C12H7Br2N3O 369.016000 |
OKCRWCOWRNWOOJ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603547; PubChem:CID168294360
|
Local ready
Direct docking supported
|
|
E3L062568
BDB062568
|
BDBM50603548
[O-][n+]1c(-c2ccc(Br)cc2)nc2cccc(Br)n21
|
C12H7Br2N3O 369.016000 |
FVHJGGSAUVMAIZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603548; PubChem:CID168289918
|
Local ready
Direct docking supported
|
|
E3L062569
BDB062569
|
AhR agonist 2
Brc1ccc(-c2nc3ccc(Br)cn3n2)cc1
|
C12H7Br2N3 353.017000 |
METAKUVFAGUKGU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603549; PubChem:CID163196386
|
Local ready
Direct docking supported
|
|
E3L062570
BDB062570
|
6-Bromo-2-phenyl-[1,2,4]triazolo[1,5-A]pyridine
Brc1ccc2nc(-c3ccccc3)nn2c1
|
C12H8BrN3 274.121000 |
BCGHTABUSCLETP-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603550; PubChem:CID71680411
|
Local ready
Direct docking supported
|
|
E3L062571
BDB062571
|
BDBM50603551
FC(F)(F)c1ccc(-c2nc3ccc(Br)cn3n2)cc1
|
C13H7BrF3N3 342.118000 |
NBDVEQLTYXRWJV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603551; PubChem:CID168290165
|
Local ready
Direct docking supported
|
|
E3L062572
BDB062572
|
6-Bromo-2-(P-tolyl)-[1,2,4]triazolo[1,5-A]pyridine
Cc1ccc(-c2nc3ccc(Br)cn3n2)cc1
|
C13H10BrN3 288.148000 |
YYDJXGOVNDHFNZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603552; PubChem:CID71743983
|
Local ready
Direct docking supported
|
|
E3L062573
BDB062573
|
BDBM50603553
Fc1ccc(-c2nc3ccc(Br)cn3n2)cc1
|
C12H7BrFN3 292.111000 |
MIBOVHXUHZRLSK-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603553; PubChem:CID71743982
|
Local ready
Direct docking supported
|
|
E3L062574
BDB062574
|
BDBM50603554
Clc1ccc(-c2nc3ccc(Br)cn3n2)cc1
|
C12H7BrClN3 308.566000 |
ZBAAGPPMCVKTFM-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603554; PubChem:CID71743981
|
Local ready
Direct docking supported
|
|
E3L062575
BDB062575
|
BDBM50603555
Brc1cccc(-c2nc3ccc(Br)cn3n2)c1
|
C12H7Br2N3 353.017000 |
ZWIMHUHGTFSTQE-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603555; PubChem:CID168291484
|
Local ready
Direct docking supported
|
|
E3L062576
BDB062576
|
BDBM50603556
Brc1ccc2nc(-c3ccccc3Br)nn2c1
|
C12H7Br2N3 353.017000 |
XRYLOVUFSCWBPU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603556; PubChem:CID168284400
|
Local ready
Direct docking supported
|
|
E3L062577
BDB062577
|
BDBM50603557
Brc1ccc(-c2nc3cccc(Br)n3n2)cc1
|
C12H7Br2N3 353.017000 |
OGKRMULLNYGWSR-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603557; PubChem:CID168295897
|
Local ready
Direct docking supported
|
|
E3L062578
BDB062578
|
BDBM50603558
Brc1ccc(-c2nc3cc(Br)ccn3n2)cc1
|
C12H7Br2N3 353.017000 |
GLSQJIRQQYNWTM-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603558; PubChem:CID168284805
|
Local ready
Direct docking supported
|
|
E3L062579
BDB062579
|
BDBM50603559
Brc1ccc(-c2nc3c(Br)cccn3n2)cc1
|
C12H7Br2N3 353.017000 |
NNHYXGVMDQBFBD-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603559; PubChem:CID168292768
|
Local ready
Direct docking supported
|
|
E3L062580
BDB062580
|
BDBM50603560
Fc1ccc2nc(-c3ccc(Br)cc3)nn2c1
|
C12H7BrFN3 292.111000 |
KBXVEWXFYBAEAO-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603560; PubChem:CID168284392
|
Local ready
Direct docking supported
|