| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060521
BDB060521
|
BDBM50556469
CC(=O)Oc1ccc(C(c2ccc(F)cc2)c2cccc[n+]2[O-])cc1
|
C20H16FNO3 337.350000 |
JNYAPEFSTCTXQV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556469; PubChem:CID162655558
|
Local ready
Direct docking supported
|
|
E3L060522
BDB060522
|
2-[(4-Tert-butylphenyl)-pyridin-2-ylmethyl]phenol
CC(C)(C)c1ccc(C(c2ccccn2)c2ccccc2O)cc1
|
C22H23NO 317.432000 |
VGZKGBXNFIKXSZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556470; PubChem:CID162657794
|
Local ready
Direct docking supported
|
|
E3L060523
BDB060523
|
2-[(4-Methylphenyl)-pyridin-2-ylmethyl]phenol
Cc1ccc(C(c2ccccn2)c2ccccc2O)cc1
|
C19H17NO 275.351000 |
KJTZQOWJFGEFFI-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556471; PubChem:CID162646839
|
Local ready
Direct docking supported
|
|
E3L060524
BDB060524
|
2-[(4-Bromophenyl)-pyridin-2-ylmethyl]phenol
Oc1ccccc1C(c1ccc(Br)cc1)c1ccccn1
|
C18H14BrNO 340.220000 |
QSSLAYODZJXVIR-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556472; PubChem:CID162650879
|
Local ready
Direct docking supported
|
|
E3L060525
BDB060525
|
2-[(4-Chlorophenyl)-pyridin-2-ylmethyl]phenol
Oc1ccccc1C(c1ccc(Cl)cc1)c1ccccn1
|
C18H14ClNO 295.769000 |
FMRLOMCGOKYAKG-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556473; PubChem:CID162648928
|
Local ready
Direct docking supported
|
|
E3L060526
BDB060526
|
2-[(4-Fluorophenyl)-pyridin-2-ylmethyl]phenol
Oc1ccccc1C(c1ccc(F)cc1)c1ccccn1
|
C18H14FNO 279.314000 |
BMBREMLRFHJRKF-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556474; PubChem:CID162657668
|
Local ready
Direct docking supported
|
|
E3L060527
BDB060527
|
1-[(4-Methoxyphenyl)-pyridin-2-ylmethyl]benzotriazole
COc1ccc(C(c2ccccn2)n2nnc3ccccc32)cc1
|
C19H16N4O 316.364000 |
GTHVDILDEHRLKX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556475; PubChem:CID162661490
|
Local ready
Direct docking supported
|
|
E3L060528
BDB060528
|
BDBM50556476
CC(=O)Oc1ccc(C(c2ccccn2)n2nnc3ccccc32)cc1
|
C20H16N4O2 344.374000 |
JLUBUVIDCCTEMA-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556476; PubChem:CID162672710
|
Local ready
Direct docking supported
|
|
E3L060529
BDB060529
|
1-[(4-Methoxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
COc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1
|
C23H19NO2 341.410000 |
WZFQALZRNFYXQT-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556477; PubChem:CID162655301
|
Local ready
Direct docking supported
|
|
E3L060530
BDB060530
|
1-[(4-Hydroxyphenyl)-pyridin-2-ylmethyl]naphthalen-2-ol
Oc1ccc(C(c2ccccn2)c2c(O)ccc3ccccc23)cc1
|
C22H17NO2 327.383000 |
SWBWYJKTFNEAMV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556478; PubChem:CID162646914
|
Local ready
Direct docking supported
|
|
E3L060531
BDB060531
|
BDBM50556479
CC(=O)Oc1ccc(C(c2ccccn2)c2c(OC(C)=O)ccc3ccccc23)cc1
|
C26H21NO4 411.457000 |
UZKUURDWFWZCRG-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556479; PubChem:CID162656611
|
Local ready
Direct docking supported
|
|
E3L060532
BDB060532
|
3-[(4-methoxyphenyl)-pyridin-2-ylmethyl]-1H-indole
COc1ccc(C(c2ccccn2)c2c[nH]c3ccccc23)cc1
|
C21H18N2O 314.388000 |
GEVQBEHNBPSQEH-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556480; PubChem:CID162655114
|
Local ready
Direct docking supported
|
|
E3L060533
BDB060533
|
[4-[1H-indol-3-yl(pyridin-2-yl)methyl]phenyl] acetate
CC(=O)Oc1ccc(C(c2ccccn2)c2c[nH]c3ccccc23)cc1
|
C22H18N2O2 342.398000 |
LIOPGIKYQXVUPS-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556481; PubChem:CID162650705
|
Local ready
Direct docking supported
|
|
E3L060534
BDB060534
|
2-[(4-Methoxyphenyl)-thiophen-2-ylmethyl]pyridine
COc1ccc(C(c2ccccn2)c2cccs2)cc1
|
C17H15NOS 281.380000 |
XYWLACIFIFTVPK-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556482; PubChem:CID162658063
|
Local ready
Direct docking supported
|
|
E3L060535
BDB060535
|
4-[Pyridin-2-yl(thiophen-2-yl)methyl]phenol
Oc1ccc(C(c2ccccn2)c2cccs2)cc1
|
C16H13NOS 267.353000 |
BGRGJURZTFHDFD-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556483; PubChem:CID162651065
|
Local ready
Direct docking supported
|
|
E3L060536
BDB060536
|
(4-Methoxyphenyl)-pyridin-2-yl-quinolin-2-ylmethanol
COc1ccc(C(O)(c2ccccn2)c2ccc3ccccc3n2)cc1
|
C22H18N2O2 342.398000 |
JIPIJNCIKDIZCK-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556484; PubChem:CID162657411
|
Local ready
Direct docking supported
|
|
E3L060537
BDB060537
|
BDBM50556485
COc1ccc(C(O)(c2ccc(C(F)(F)F)cc2)c2ccccn2)cc1
|
C20H16F3NO2 359.347000 |
ATAIQCHMXFWMDZ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50556485; PubChem:CID162676129
|
Local ready
Direct docking supported
|
|
E3L060538
BDB060538
|
BDBM50556677
COc1ccc(C(=O)Nc2c[nH]nc2-c2nc(-c3ccc(CN4CCOCC4)cc3)c[nH]2)cc1
|
C25H26N6O3 458.522000 |
TVOOLZURINZODH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556677; PubChem:CID162664937
|
Local ready
Direct docking supported
|
|
E3L060539
BDB060539
|
BDBM50556678
O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCOCC3)cc2)c[nH]1)c1ccc([N+](=O)[O-])cc1
|
C24H23N7O4 473.493000 |
OEWIUKZNWRWPFA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556678; PubChem:CID162648495
|
Local ready
Direct docking supported
|
|
E3L060540
BDB060540
|
BDBM50556679
O=C(Nc1c[nH]nc1-c1nc(-c2ccc(CN3CCOCC3)cc2)c[nH]1)c1ccc(Cl)cc1
|
C24H23ClN6O2 462.941000 |
BTQZAKFCYCVYSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50556679; PubChem:CID162659235
|
Local ready
Direct docking supported
|