| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064061
BDB064061
|
BDBM50628111
Cc1ccc([N+](=O)[O-])c2c1NC(c1ccc(Br)cc1)=NO2
|
C14H10BrN3O3 348.156000 |
YJBRLBOOAOAIGW-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628111; PubChem:CID847399
|
Local ready
Direct docking supported
|
|
E3L064062
BDB064062
|
BDBM50628112
COc1cccc(OC)c1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1
|
C18H15BrN2O5 419.231000 |
HMJZTVPWVHZNOC-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628112; PubChem:CID2079071
|
Local ready
Direct docking supported
|
|
E3L064063
BDB064063
|
BDBM50628113
CC(C)N1C(=O)N/C(=C\c2c[nH]c3ccccc23)C1=O
|
C15H15N3O2 269.304000 |
AUKQIDROQNEDFQ-QPEQYQDCSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628113
|
Local ready
Direct docking supported
|
|
E3L064064
BDB064064
|
BDBM50628114
CN1C(=O)N/C(=C\c2c[nH]c3ccccc23)C1=O
|
C13H11N3O2 241.250000 |
ZDRXRUGIFKLBDT-WDZFZDKYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628114
|
Local ready
Direct docking supported
|
|
E3L064065
BDB064065
|
BDBM50628115
CCN1C(=O)N/C(=C\c2c[nH]c3ccccc23)C1=O
|
C14H13N3O2 255.277000 |
MJEFOGAXDOTSLO-GHXNOFRVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628115
|
Local ready
Direct docking supported
|
|
E3L064066
BDB064066
|
BDBM50628116
CC(C)N1C(=O)/C(=C/c2c[nH]c3ccccc23)NC1=S
|
C15H15N3OS 285.372000 |
SDCUKTSXVKQGDA-QPEQYQDCSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628116
|
Local ready
Direct docking supported
|
|
E3L064067
BDB064067
|
BDBM50628117
CN1C(=O)/C(=C/c2c[nH]c3ccccc23)NC1=S
|
C13H11N3OS 257.318000 |
LXERCMIUMBELMQ-WDZFZDKYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628117
|
Local ready
Direct docking supported
|
|
E3L064068
BDB064068
|
BDBM50628118
Cc1cc(-c2nnc3sc(-c4ccccc4Br)nn23)[nH]n1
|
C13H9BrN6S 361.228000 |
XSTHTUXWDAZIDE-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628118; PubChem:CID30370894
|
Local ready
Direct docking supported
|
|
E3L064069
BDB064069
|
BDBM50628119
CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)NC1=S
|
C14H13N3OS 271.345000 |
FVAGNRQSMCYSOH-KPKJPENVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628119
|
Local ready
Direct docking supported
|
|
E3L064070
BDB064070
|
BDBM50628120
Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c(Br)c1
|
C19H18BrN3O 384.277000 |
NBQBLVJLPQAYQY-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628120; PubChem:CID2430095
|
Local ready
Direct docking supported
|
|
E3L064071
BDB064071
|
BDBM50628121
CN1C(=O)/C(=C/c2cc3ccccc3[nH]2)NC1=S
|
C13H11N3OS 257.318000 |
SNAKUMXCPXWHQF-XFFZJAGNSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628121
|
Local ready
Direct docking supported
|
|
E3L064072
BDB064072
|
BDBM50628122
CN1C(=O)/C(=C/c2cn(C)c3ccccc23)NC1=S
|
C14H13N3OS 271.345000 |
BOMLJIOFUOQOPT-XFFZJAGNSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628122; PubChem:CID172465362
|
Local ready
Direct docking supported
|
|
E3L064073
BDB064073
|
BDBM50628123
Cc1[nH]c2ccccc2c1/C=C1\NC(=S)N(C)C1=O
|
C14H13N3OS 271.345000 |
QBGKHNZNVBCBKK-GHXNOFRVSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628123
|
Local ready
Direct docking supported
|
|
E3L064074
BDB064074
|
BDBM50628124
CN1C(=O)/C(=C/c2c[nH]c3ncncc23)NC1=S
|
C11H9N5OS 259.294000 |
XBIDAEDHNMFICL-WAPJZHGLSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628124
|
Local ready
Direct docking supported
|
|
E3L064075
BDB064075
|
BDBM50628125
CN1C(=O)/C(=C/c2n[nH]c3ccccc23)NC1=S
|
C12H10N4OS 258.306000 |
KGGQNVOMRADIAE-POHAHGRESA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628125
|
Local ready
Direct docking supported
|
|
E3L064076
BDB064076
|
BDBM50628126
CN1C(=O)/C(=C/c2csc3ccccc23)NC1=S
|
C13H10N2OS2 274.370000 |
MXSGAZJWFPCFMR-POHAHGRESA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628126; PubChem:CID168119990
|
Local ready
Direct docking supported
|
|
E3L064077
BDB064077
|
BDBM50628127
CN1C(=O)/C(=C/c2c[nH]c3ccncc23)NC1=S
|
C12H10N4OS 258.306000 |
BNAFZSWRJCZVHK-WMZJFQQLSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628127
|
Local ready
Direct docking supported
|
|
E3L064078
BDB064078
|
BDBM50628128
CN1C(=O)/C(=C/c2cncnc2)NC1=S
|
C9H8N4OS 220.257000 |
BSYFYFLQJULWRE-UQCOIBPSSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628128; PubChem:CID172443571
|
Local ready
Direct docking supported
|
|
E3L064079
BDB064079
|
BDBM50628129
CN1C(=O)/C(=C/c2ccccn2)NC1=S
|
C10H9N3OS 219.269000 |
DDZJGQSVQONJTH-VURMDHGXSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50628129; PubChem:CID89524365
|
Local ready
Direct docking supported
|
|
E3L064080
BDB064080
|
BDBM50628130
O=C1NC(=S)N/C1=C\c1n[nH]c2ccccc12
|
C11H8N4OS 244.279000 |
XGFRTEROZFEHEV-UITAMQMPSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB
BindingDB:BDBM50628130
|
Local ready
Direct docking supported
|