| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055341
BDB055341
|
1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin
Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2
|
C12H2Cl6O2 390.864000 |
WCYYQNSQJHPVMG-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408371; PubChem:CID38251
|
Local ready
Direct docking supported
|
|
E3L055342
BDB055342
|
2,8-Dibromo-3,7-dichlorodibenzo-p-dioxin
Clc1cc2c(cc1Br)Oc1cc(Br)c(Cl)cc1O2
|
C12H4Br2Cl2O2 410.876000 |
MYVLLYZAJKDZST-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408372; PubChem:CID176111
|
Local ready
Direct docking supported
|
|
E3L055343
BDB055343
|
1,2,3,7-Tetrachlorodibenzofuran
Clc1ccc2c(c1)oc1cc(Cl)c(Cl)c(Cl)c12
|
C12H4Cl4O 305.975000 |
MDNZFYGATDCKRB-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408374; PubChem:CID55104
|
Local ready
Direct docking supported
|
|
E3L055344
BDB055344
|
1,2,3,6-Tetrachlorodibenzofuran
Clc1cc2oc3c(Cl)cccc3c2c(Cl)c1Cl
|
C12H4Cl4O 305.975000 |
BBAXFLIBRPXRBP-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408376; PubChem:CID55103
|
Local ready
Direct docking supported
|
|
E3L055345
BDB055345
|
2,3,4-Trichlorodibenzofuran
Clc1cc2c(oc3ccccc32)c(Cl)c1Cl
|
C12H5Cl3O 271.530000 |
YDLADWPBKZODCJ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408377; PubChem:CID42131
|
Local ready
Direct docking supported
|
|
E3L055346
BDB055346
|
3,4,4',5-Tetrachlorobiphenyl
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)cc1
|
C12H6Cl4 291.992000 |
BHWVLZJTVIYLIV-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408379; PubChem:CID51043
|
Local ready
Direct docking supported
|
|
E3L055347
BDB055347
|
1,2,3,7,8-Pentachlorodibenzofuran
Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2cc1Cl
|
C12H3Cl5O 340.420000 |
SBMIVUVRFPGOEB-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408381; PubChem:CID42138
|
Local ready
Direct docking supported
|
|
E3L055348
BDB055348
|
3-Chlorodibenzofuran
Clc1ccc2c(c1)oc1ccccc12
|
C12H7ClO 202.640000 |
BBOZMMAURMEVAR-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408382; PubChem:CID527713
|
Local ready
Direct docking supported
|
|
E3L055349
BDB055349
|
2,2',4,4',5,5'-Hexachlorobiphenyl
Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl
|
C12H4Cl6 360.882000 |
MVWHGTYKUMDIHL-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50408383; PubChem:CID37034
|
Local ready
Direct docking supported
|
|
E3L055350
BDB055350
|
BDBM50409612
CN1CCc2c(-c3ccccc3)n(C)c3cccc(c23)C1=O
|
C19H18N2O 290.366000 |
JBBHEUQXGHYOGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409612; PubChem:CID11044477
|
Local ready
Direct docking supported
|
|
E3L055351
BDB055351
|
BDBM50409617
CC(C)(O)c1ccc(-c2cn3c(CO)ccc3c(=O)[nH]2)cc1
|
C17H18N2O3 298.342000 |
XPFCXDCYIAOOBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409617; PubChem:CID171353121
|
Local ready
Direct docking supported
|
|
E3L055352
BDB055352
|
BDBM50409618
Cc1ccc2c(=O)[nH]c(-c3ccc(C(C)(C)OCCO)cc3)cn12
|
C19H22N2O3 326.396000 |
VJHDAFXRSRJKPL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409618; PubChem:CID171357091
|
Local ready
Direct docking supported
|
|
E3L055353
BDB055353
|
BDBM50409619
Cc1ccc2c(=O)[nH]c(-c3ccc(C4(O)CC4)cc3)cn12
|
C17H16N2O2 280.327000 |
UIPJAQKAZCQVPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409619; PubChem:CID171342549
|
Local ready
Direct docking supported
|
|
E3L055354
BDB055354
|
BDBM50409620
Cc1ccc2c(=O)[nH]c(-c3ccc(C4(O)COC4)cc3)cn12
|
C17H16N2O3 296.326000 |
JXORYUCIOICGOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409620; PubChem:CID171352880
|
Local ready
Direct docking supported
|
|
E3L055355
BDB055355
|
BDBM50409621
Cc1ccc2c(=O)[nH]c(-c3ccc([C@@](C)(O)CO)cc3)cn12
|
C17H18N2O3 298.342000 |
AOMPHWKJTUPEOB-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409621; PubChem:CID171342823
|
Local ready
Direct docking supported
|
|
E3L055356
BDB055356
|
BDBM50409622
Cc1ccc2c(=O)[nH]c(-c3ccc([C@](C)(O)CCO)cc3)cn12
|
C18H20N2O3 312.369000 |
SSRCPYMXFHISQW-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409622; PubChem:CID171346537
|
Local ready
Direct docking supported
|
|
E3L055357
BDB055357
|
BDBM50409623
Cc1ccc2c(=O)[nH]c(-c3ccc([C@@](C)(O)CCO)cc3)cn12
|
C18H20N2O3 312.369000 |
SSRCPYMXFHISQW-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409623; PubChem:CID171353773
|
Local ready
Direct docking supported
|
|
E3L055358
BDB055358
|
BDBM50409624
Cc1ccc2c(=O)[nH]c(-c3ccc([C@](C)(O)CO)cc3)cn12
|
C17H18N2O3 298.342000 |
AOMPHWKJTUPEOB-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409624; PubChem:CID171354885
|
Local ready
Direct docking supported
|
|
E3L055359
BDB055359
|
Tankyrase-IN-5
Cc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn2c1
|
C17H18N2O2 282.343000 |
HIVDAZHBOHYAOK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409625; PubChem:CID71765621
|
Local ready
Direct docking supported
|
|
E3L055360
BDB055360
|
BDBM50409626
CC(C)(O)c1ccc(-c2cn3c(F)c(F)cc3c(=O)[nH]2)cc1
|
C16H14F2N2O2 304.296000 |
OKVSYWJACIIIKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409626; PubChem:CID71765180
|
Local ready
Direct docking supported
|