| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047801
BDB047801
|
BDBM50184667
COc1ccc(-c2ccc(COc3ccc(OCC(=O)O)c(C)c3)cc2-c2ccc(OC)cc2)cc1
|
C30H28O6 484.548000 |
WEZWVTHGDNKJBD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184667; PubChem:CID44411618
|
Local ready
Direct docking supported
|
|
E3L047802
BDB047802
|
BDBM50184668
Cc1cc(OCc2cc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2)ccc1OCC(=O)O
|
C28H22Cl2O4 493.386000 |
BHBKYCXEDQWJEZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184668; PubChem:CID44411741
|
Local ready
Direct docking supported
|
|
E3L047803
BDB047803
|
BDBM50184669
O=C(O)Cc1ccc(SCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)c(Cl)c1
|
C29H19ClF6O2S 580.977000 |
SZHPFMIWQSAUEO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184669; PubChem:CID44411708
|
Local ready
Direct docking supported
|
|
E3L047804
BDB047804
|
BDBM50184670
Cc1cc(OCC(=O)O)ccc1OCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C(F)(F)F)cc2)c1
|
C30H22F6O4 560.490000 |
DPYLEKBKWLHONZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184670; PubChem:CID44411968
|
Local ready
Direct docking supported
|
|
E3L047805
BDB047805
|
BDBM50184671
COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccc(OC)cc3)c2)cc1
|
C30H28O6 484.548000 |
HEWBHWRCWQCEDQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184671; PubChem:CID44411737
|
Local ready
Direct docking supported
|
|
E3L047806
BDB047806
|
BDBM50184672
Cc1cc(OCc2cc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccc(OC(F)(F)F)cc3)c2)ccc1OCC(=O)O
|
C30H22F6O6 592.488000 |
VUNLJZCICIDKRJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184672; PubChem:CID44411558
|
Local ready
Direct docking supported
|
|
E3L047807
BDB047807
|
BDBM50184673
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)O
|
C30H22F6O3S 576.558000 |
BWJLROJDSHHWFJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184673; PubChem:CID44411767
|
Local ready
Direct docking supported
|
|
E3L047808
BDB047808
|
BDBM50184674
COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)cc(-c3ccc(C(F)(F)F)cc3)c2)cc1
|
C30H25F3O5 522.519000 |
RYYBNANZDICNDH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184674; PubChem:CID44411571
|
Local ready
Direct docking supported
|
|
E3L047809
BDB047809
|
BDBM50184675
Cc1cc(OCc2cc(-c3ccccc3)cc(-c3ccccc3)c2)ccc1OCC(=O)O
|
C28H24O4 424.496000 |
UDWOWKJZJXETKQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50184675; PubChem:CID44411946
|
Local ready
Direct docking supported
|
|
E3L047810
BDB047810
|
BDBM50184676
COc1ccc(-c2cc(COc3ccc(OCC(=O)O)c(C)c3)nc(-c3ccc(OC)cc3)n2)cc1
|
C28H26N2O6 486.524000 |
YPHVTYIAVCPMOI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50184676; PubChem:CID44411563
|
Local ready
Direct docking supported
|
|
E3L047811
BDB047811
|
BDBM50184695
CCOC(=O)Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21
|
C18H16N4O5 368.349000 |
LYUCMSBGXASQAS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50184695; PubChem:CID44412281
|
Local ready
Direct docking supported
|
|
E3L047812
BDB047812
|
IRAK-1/4 inhibitor
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1
|
C20H21N5O4 395.419000 |
QTCFYQHZJIIHBS-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50184706; PubChem:CID11983295
|
Local ready
Direct docking supported
|
|
E3L047813
BDB047813
|
BDBM50184787
Cc1c(F)ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N2CCN(C)CC2)c1Cl
|
C24H24ClFN4O 438.934000 |
AICVIWJSFCXEOX-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184787; PubChem:CID127052837
|
Local ready
Direct docking supported
|
|
E3L047814
BDB047814
|
BDBM50184789
Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl
|
C19H19ClFN5O5 451.842000 |
ZVZKRCIQYYCPMS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184789; PubChem:CID127049253
|
Local ready
Direct docking supported
|
|
E3L047815
BDB047815
|
BDBM50184790
Cc1c(F)ccc(C(=O)Nc2cc(N)ccc2N2CCN(C)CC2)c1Cl
|
C19H22ClFN4O 376.863000 |
GRCZQAJZPPEKIZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184790; PubChem:CID127050095
|
Local ready
Direct docking supported
|
|
E3L047816
BDB047816
|
BDBM50184791
Cc1c(F)ccc(C(=O)Nc2cc(-c3cccc(C(=O)O)c3)ccc2N2CCN(C)CC2)c1Cl
|
C26H25ClFN3O3 481.955000 |
HWZFZBAVHVXKDN-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184791; PubChem:CID127050385
|
Local ready
Direct docking supported
|
|
E3L047817
BDB047817
|
Brivanib
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1
|
C19H19FN4O3 370.384000 |
WCWUXEGQKLTGDX-LLVKDONJSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50184807; PubChem:CID11234052
|
Local ready
Direct docking supported
|
|
E3L047818
BDB047818
|
BDBM50184950
Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(C(=O)O)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C26H25ClFN3O3 481.955000 |
LCAMBAGLMBTSDA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184950; PubChem:CID127048565
|
Local ready
Direct docking supported
|
|
E3L047819
BDB047819
|
BDBM50184951
Cc1c(F)ccc(C(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C26H24ClFN4O 462.956000 |
NKFXPDGOKFTCNC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184951; PubChem:CID127050386
|
Local ready
Direct docking supported
|
|
E3L047820
BDB047820
|
BDBM50184952
Cc1c(F)ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl
|
C25H25ClFN3O 437.946000 |
IJGXSYJCQSUICM-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50184952; PubChem:CID127050387
|
Local ready
Direct docking supported
|