| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063101
BDB063101
|
Irak4-IN-14
Cc1ncc(-c2nc3c(OC4(C)CC4)nc(Nc4cnn(C5CCN(C)CC5)c4)nc3cc2F)cn1
|
C25H28FN9O 489.559000 |
SZURKEABSBIIMJ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50612195; PubChem:CID154815576
|
Local ready
Direct docking supported
|
|
E3L063102
BDB063102
|
Irak4-IN-15
Cc1ncc(-c2nc3c(NC(C)C)nc(Nc4cnn(C5CC6(C5)CN(C)C6)c4)nc3cc2F)cn1
|
C25H29FN10 488.575000 |
NYYOAOHKRVOFGH-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50612202; PubChem:CID163408859
|
Local ready
Direct docking supported
|
|
E3L063103
BDB063103
|
5,11-Dihydroindolo[3,2-b]carbazole
c1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1ccccc13
|
C18H12N2 256.308000 |
YCPBCVTUBBBNJJ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612688; PubChem:CID95838
|
Local ready
Direct docking supported
|
|
E3L063104
BDB063104
|
BDBM50612689
c1ccc2c(c1)Nc1nc3ccccc3c3ccnc-2c13
|
C18H11N3 269.307000 |
HMTOGOKFHJKDBP-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612689; PubChem:CID134590407
|
Local ready
Direct docking supported
|
|
E3L063105
BDB063105
|
4-(1H-indol-3-ylmethyl)-6H-azepino[4,5-b]indol-5-one
O=c1c(Cc2c[nH]c3ccccc23)nccc2c1[nH]c1ccccc12
|
C21H15N3O 325.371000 |
KGUBPZOIQSHIRX-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612690; PubChem:CID171351054
|
Local ready
Direct docking supported
|
|
E3L063106
BDB063106
|
Prochloraz
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
|
C15H16Cl3N3O2 376.671000 |
TVLSRXXIMLFWEO-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612691; PubChem:CID73665
|
Local ready
Direct docking supported
|
|
E3L063107
BDB063107
|
BDBM50612692
CC(CO)NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O
|
C20H17ClFN3O3 401.825000 |
RFGRNBWAUZSMBN-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612692; PubChem:CID132167727
|
Local ready
Direct docking supported
|
|
E3L063108
BDB063108
|
AHR antagonist 2
C[C@@H](CO)NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc(-c2cccnc2)n1
|
C20H17F3N4O3 418.375000 |
CSSGBPKFVJOAIZ-LBPRGKRZSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612694; PubChem:CID138634553
|
Local ready
Direct docking supported
|
|
E3L063109
BDB063109
|
BDBM50612695
O=C(NCC(O)C(F)(F)F)c1cc(-c2ccc(OC(F)(F)F)cc2)nn(-c2cccnc2)c1=O
|
C20H14F6N4O4 488.344000 |
RABNJRDCQVHCQF-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612695; PubChem:CID142410899
|
Local ready
Direct docking supported
|
|
E3L063110
BDB063110
|
AHR antagonist 5 free base
CC(C)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(-c3cncc(F)c3)nc12
|
C25H24FN7 441.514000 |
QPFPBVPZIIDXGT-QGZVFWFLSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612696; PubChem:CID140944699
|
Local ready
Direct docking supported
|
|
E3L063111
BDB063111
|
2,3-Dimethylindole
Cc1[nH]c2ccccc2c1C
|
C10H11N 145.205000 |
PYFVEIDRTLBMHG-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612697; PubChem:CID7053
|
Local ready
Direct docking supported
|
|
E3L063112
BDB063112
|
2,3,7-Trimethylindole
Cc1[nH]c2c(C)cccc2c1C
|
C11H13N 159.232000 |
USKKDNORVCJALM-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612698; PubChem:CID96869
|
Local ready
Direct docking supported
|
|
E3L063113
BDB063113
|
Lhd-221
CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(-c3csc4ccccc34)nc21
|
C24H23N5OS 429.549000 |
BGFHMYJZJZLMHW-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50612699; PubChem:CID46199207
|
Local ready
Direct docking supported
|
|
E3L063114
BDB063114
|
BDBM50612914
O=C(O)c1ccc2c(c1)/C(=N\O)C(C1C(=O)Nc3c(Br)cccc31)N2
|
C17H12BrN3O4 402.204000 |
QSRIODVKWHUUNA-KGENOOAVSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612914; PubChem:CID171342761
|
Local ready
Direct docking supported
|
|
E3L063115
BDB063115
|
BDBM50612915
Cc1cnc(Nc2ccc(CN3CCN(C(C)C)CC3)cn2)nc1-c1ccc2scnc2c1
|
C25H29N7S 459.623000 |
ZFAPXKAPLUYPFO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612915; PubChem:CID171352272
|
Local ready
Direct docking supported
|
|
E3L063116
BDB063116
|
BDBM50612916
Cc1cnc(Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)nc1-c1ccc2scnc2c1
|
C27H31N7O2S 517.659000 |
MFEVORGVIUXWPD-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612916; PubChem:CID171350543
|
Local ready
Direct docking supported
|
|
E3L063117
BDB063117
|
BDBM50612917
Cc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1
|
C22H23N7S 417.542000 |
PMROUEQNDRYACR-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612917; PubChem:CID171344914
|
Local ready
Direct docking supported
|
|
E3L063118
BDB063118
|
BDBM50612918
COc1cnc(Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cn2)nc1-c1ccc2scnc2c1
|
C27H31N7O3S 533.658000 |
VZSXVSXSMKEFRN-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612918; PubChem:CID171350076
|
Local ready
Direct docking supported
|
|
E3L063119
BDB063119
|
BDBM50612919
COc1cnc(Nc2ccc(CN3CCNCC3)cn2)nc1-c1ccc2scnc2c1
|
C22H23N7OS 433.541000 |
FLCKREUCUAEHAB-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612919; PubChem:CID171348787
|
Local ready
Direct docking supported
|
|
E3L063120
BDB063120
|
BDBM50612920
CC(C)(C)OC(=O)N1CCN(Cc2ccc(Nc3nccc(-c4ccc5scnc5c4)n3)nc2)CC1
|
C26H29N7O2S 503.632000 |
VEXYVQXUVGMNFW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50612920; PubChem:CID171353524
|
Local ready
Direct docking supported
|