| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060661
BDB060661
|
1,2,3,4,5,6,7,8-octabromo-9H-carbazole
Brc1c(Br)c(Br)c2c([nH]c3c(Br)c(Br)c(Br)c(Br)c32)c1Br
|
C12HBr8N 798.379000 |
MIMMRUWTJKEQMM-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50563364; PubChem:CID162667122
|
Local ready
Direct docking supported
|
|
E3L060662
BDB060662
|
BDBM50563365
O=C(c1cccc(C(F)(F)F)n1)c1c[nH]c2ccccc12
|
C15H9F3N2O 290.244000 |
LANJLFOCGPBZLQ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50563365; PubChem:CID139561036
|
Local ready
Direct docking supported
|
|
E3L060663
BDB060663
|
6-(1H-Indole-3-carbonyl)picolinonitrile
N#Cc1cccc(C(=O)c2c[nH]c3ccccc23)n1
|
C15H9N3O 247.257000 |
ADMPCCRPLHYARS-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50563366; PubChem:CID139560734
|
Local ready
Direct docking supported
|
|
E3L060664
BDB060664
|
bis(1H-indol-2-yl)-pyridin-4-ylmethanol
OC(c1ccncc1)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1
|
C22H17N3O 339.398000 |
OQKLLSKMLNDJJN-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50563367; PubChem:CID135257031
|
Local ready
Direct docking supported
|
|
E3L060665
BDB060665
|
BDBM50563368
CCOn1c(C(O)(c2ccncc2)c2cc3ccccc3[nH]2)cc2ccccc21
|
C24H21N3O2 383.451000 |
OIAZJOWHRRRYNS-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50563368; PubChem:CID162675784
|
Local ready
Direct docking supported
|
|
E3L060666
BDB060666
|
DC-K2in212
NC(=O)c1ccc(-c2ccc(F)c(C(=O)Nc3c[nH]nc3C(=O)Nc3ccc(F)cc3)c2F)cn1
|
C23H15F3N6O3 480.406000 |
JNYWLVWHCGXRPJ-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50563486; PubChem:CID162657070
|
Local ready
Direct docking supported
|
|
E3L060667
BDB060667
|
BDBM50563533
CC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
|
C20H19N3O 317.392000 |
OOLXXVMFVSTNLJ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563533; PubChem:CID118493227
|
Local ready
Direct docking supported
|
|
E3L060668
BDB060668
|
BDBM50563534
CC(C)(C)c1ccc(-c2coc3ccc(-c4cn[nH]n4)nc23)cc1
|
C19H18N4O 318.380000 |
KTGZHJWTKLQHBK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563534; PubChem:CID162644211
|
Local ready
Direct docking supported
|
|
E3L060669
BDB060669
|
BDBM50563535
Cn1cc(-c2ccc3occ(-c4cccc(C5CCNCC5)c4)c3n2)cn1
|
C22H22N4O 358.445000 |
YEFYCSKFDBXSSK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563535; PubChem:CID162670405
|
Local ready
Direct docking supported
|
|
E3L060670
BDB060670
|
BDBM50563536
CN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1
|
C23H24N4O 372.472000 |
BWUOLNXJAQPJKF-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563536; PubChem:CID162647029
|
Local ready
Direct docking supported
|
|
E3L060671
BDB060671
|
BDBM50563537
Cn1cc(-c2ccc3occ(-c4cccc(-c5cn[nH]c5)c4)c3n2)cn1
|
C20H15N5O 341.374000 |
NVTNPVQFMSQPJQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563537; PubChem:CID162669205
|
Local ready
Direct docking supported
|
|
E3L060672
BDB060672
|
BDBM50563538
Cn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1
|
C21H17N5O 355.401000 |
XQQYRDDJENLAME-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563538; PubChem:CID162674985
|
Local ready
Direct docking supported
|
|
E3L060673
BDB060673
|
BDBM50563539
Cn1cc(-c2ccc3occ(-c4cccc(-c5cc[nH]n5)c4)c3n2)cn1
|
C20H15N5O 341.374000 |
MEZZCEDCBNWCRR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563539; PubChem:CID162659645
|
Local ready
Direct docking supported
|
|
E3L060674
BDB060674
|
BDBM50563540
CC1(c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)CC1
|
C20H17N3O 315.376000 |
CJWBPPWAPHJBEQ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563540; PubChem:CID162645312
|
Local ready
Direct docking supported
|
|
E3L060675
BDB060675
|
BDBM50563541
C=C(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
|
C19H15N3O 301.349000 |
UQRGNUXIYRRBER-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563541; PubChem:CID162646632
|
Local ready
Direct docking supported
|
|
E3L060676
BDB060676
|
BDBM50563542
c1ccc(Cc2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1
|
C23H17N3O 351.409000 |
JOZUGIHTSIWTIK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563542; PubChem:CID162670148
|
Local ready
Direct docking supported
|
|
E3L060677
BDB060677
|
BDBM50563543
CC(C)Cc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
|
C20H19N3O 317.392000 |
CIUGVTHIGIBJMT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563543; PubChem:CID162672511
|
Local ready
Direct docking supported
|
|
E3L060678
BDB060678
|
BDBM50563544
c1ccc(-c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1
|
C22H15N3O 337.382000 |
LDNVJIDFNXGSGT-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563544; PubChem:CID123481881
|
Local ready
Direct docking supported
|
|
E3L060679
BDB060679
|
BDBM50563545
c1n[nH]cc1-c1ccc2occ(-c3ccc(C4CCCCC4)cc3)c2n1
|
C22H21N3O 343.430000 |
PXEZKQRPUIYVRE-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563545; PubChem:CID162642894
|
Local ready
Direct docking supported
|
|
E3L060680
BDB060680
|
BDBM50563546
c1n[nH]cc1-c1ccc2occ(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2n1
|
C26H25N3O 395.506000 |
AEZGFPSIGMHTQV-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563546; PubChem:CID162656839
|
Local ready
Direct docking supported
|