| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060681
BDB060681
|
BDBM50563547
Cn1cc(-c2ccc3occ(-c4ccc(C(C)(C)C)cc4)c3n2)cn1
|
C21H21N3O 331.419000 |
VQJUNEANVUYHDU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563547; PubChem:CID162650130
|
Local ready
Direct docking supported
|
|
E3L060682
BDB060682
|
BDBM50563548
Cn1cc(-c2ccc3occ(-c4ccc(C(C)(C)C)cc4)c3n2)nn1
|
C20H20N4O 332.407000 |
QCOJLKVLLTZZSA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563548; PubChem:CID162669869
|
Local ready
Direct docking supported
|
|
E3L060683
BDB060683
|
BDBM50563549
CC(C)(C)c1ccc(-c2coc3ccc(-c4cc[nH]n4)nc23)cc1
|
C20H19N3O 317.392000 |
SDFNLJHDZXQOCL-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563549; PubChem:CID162676988
|
Local ready
Direct docking supported
|
|
E3L060684
BDB060684
|
BDBM50563550
Cn1ccc(-c2ccc3occ(-c4ccc(C(C)(C)C)cc4)c3n2)n1
|
C21H21N3O 331.419000 |
WLFZENAUOISWEU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563550; PubChem:CID162671967
|
Local ready
Direct docking supported
|
|
E3L060685
BDB060685
|
BDBM50563551
CC(C)(C)c1ccc(-c2coc3ccc(-c4nn[nH]n4)nc23)cc1
|
C18H17N5O 319.368000 |
ODCXYSYHXJMMPY-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563551; PubChem:CID162643903
|
Local ready
Direct docking supported
|
|
E3L060686
BDB060686
|
BDBM50563552
CC(C)(C)c1ccc(-c2coc3ccc(-c4cnsc4)nc23)cc1
|
C20H18N2OS 334.444000 |
GEXQRIJEFKNHPX-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563552; PubChem:CID162650601
|
Local ready
Direct docking supported
|
|
E3L060687
BDB060687
|
BDBM50563553
CC(C)(C)c1ccc(-c2coc3ccc(-c4cnn(CCN5CCOCC5)c4)nc23)cc1
|
C26H30N4O2 430.552000 |
KYWPMQJAUGPHCO-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563553; PubChem:CID162672428
|
Local ready
Direct docking supported
|
|
E3L060688
BDB060688
|
3-phenyl-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
|
C16H11N3O 261.284000 |
YJVHRHNVCYWWCM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563554; PubChem:CID118486408
|
Local ready
Direct docking supported
|
|
E3L060689
BDB060689
|
BDBM50563555
c1ccc2cc(-c3coc4ccc(-c5cn[nH]c5)nc34)ccc2c1
|
C20H13N3O 311.344000 |
KLYOYEDXPDCWAL-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563555; PubChem:CID92045017
|
Local ready
Direct docking supported
|
|
E3L060690
BDB060690
|
BDBM50563556
COc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1
|
C17H13N3O2 291.310000 |
BLMDVYRPCVHXPK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563556; PubChem:CID162646315
|
Local ready
Direct docking supported
|
|
E3L060691
BDB060691
|
BDBM50563557
Cn1cc(-c2coc3ccc(-c4cn[nH]c4)nc23)cn1
|
C14H11N5O 265.276000 |
SDHAXXDYIZVWAZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50563557; PubChem:CID162670785
|
Local ready
Direct docking supported
|
|
E3L060692
BDB060692
|
BDBM50563656
Cc1ncccc1-c1cnc(NCc2c(F)cc(F)c3c2CCO3)n2cnnc12
|
C20H16F2N6O 394.385000 |
VVEHRCFXXIOULZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50563656; PubChem:CID162655057
|
Local ready
Direct docking supported
|
|
E3L060693
BDB060693
|
BDBM50563657
Cc1ncccc1-c1cnc(NCc2c(F)cc(Cl)c3c2CCO3)n2cnnc12
|
C20H16ClFN6O 410.840000 |
RSCQSFMYYMSUSN-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50563657; PubChem:CID162659644
|
Local ready
Direct docking supported
|
|
E3L060694
BDB060694
|
BDBM50563658
Cc1ncccc1-c1cnc(NCc2c(F)cc(C#N)c3c2CCO3)n2cnnc12
|
C21H16FN7O 401.405000 |
HTLKMVIYVDETDN-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50563658; PubChem:CID156022749
|
Local ready
Direct docking supported
|
|
E3L060695
BDB060695
|
BDBM50563659
Cc1ncccc1-c1cnc(NCc2c(F)cc(N)c3c2CCO3)n2cnnc12
|
C20H18FN7O 391.410000 |
ZNWQTGPXZCEXRZ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50563659; PubChem:CID162658383
|
Local ready
Direct docking supported
|
|
E3L060696
BDB060696
|
BDBM50563660
COc1cc(F)c(CNc2ncc(-c3cccnc3C)c3nncn23)c2c1OCC2
|
C21H19FN6O2 406.421000 |
MOROYSFTQZHEKF-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50563660; PubChem:CID162653229
|
Local ready
Direct docking supported
|
|
E3L060697
BDB060697
|
BDBM50563863
CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc54)CC3)s2)cc1
|
C31H33NO3S 499.676000 |
LGIUHWQDGPFXSG-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50563863; PubChem:CID68194743
|
Local ready
Direct docking supported
|
|
E3L060698
BDB060698
|
BDBM50563891
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1
|
C21H25N7O3 423.477000 |
WPXVVAWAHQHJPF-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50563891; PubChem:CID162673880
|
Local ready
Direct docking supported
|
|
E3L060699
BDB060699
|
BDBM50563974
COc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1O
|
C9H9Br2N3O2S 383.065000 |
DCYAFJGJCMOOSL-QLKAYGNNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50563974; PubChem:CID135851175
|
Local ready
Direct docking supported
|
|
E3L060700
BDB060700
|
BDBM50563975
COc1cc(/C=N/NC(N)=S)c(Br)c(Br)c1OC
|
C10H11Br2N3O2S 397.092000 |
AEEVFFOEEWVLGF-LNKIKWGQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50563975; PubChem:CID19617626
|
Local ready
Direct docking supported
|