| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052081
BDB052081
|
BDBM50312492
CCCc1cc(OCc2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)ccc1OCC(=O)O
|
C29H26F3NO5S 557.590000 |
JSAANRGMVVVHFS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312492; PubChem:CID44627635
|
Local ready
Direct docking supported
|
|
E3L052082
BDB052082
|
BDBM50312493
COc1ccc(-c2nc(CSc3ccc(CC(=O)O)cc3Cl)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C26H19ClF3NO3S2 550.023000 |
IXVHSUFILSMKIN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312493; PubChem:CID44627946
|
Local ready
Direct docking supported
|
|
E3L052083
BDB052083
|
BDBM50312494
COc1ccc(-c2nc(COc3ccc(CCC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C28H24F3NO4S 527.564000 |
YNRZEUVHUMURNA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312494; PubChem:CID44627731
|
Local ready
Direct docking supported
|
|
E3L052084
BDB052084
|
BDBM50312495
COc1ccc(-c2nc(COc3ccc(CC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C27H22F3NO4S 513.537000 |
SGPLBNVKPYVVGW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312495; PubChem:CID44627846
|
Local ready
Direct docking supported
|
|
E3L052085
BDB052085
|
BDBM50312496
COc1ccc(-c2nc(CSc3ccc(OCC(=O)O)c(C)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C27H22F3NO4S2 545.604000 |
KLBPSSUROZAJKN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312496; PubChem:CID44627637
|
Local ready
Direct docking supported
|
|
E3L052086
BDB052086
|
BDBM50312497
COc1ccc(-c2nc(COc3ccc4c(ccn4CC(=O)O)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C28H21F3N2O4S 538.547000 |
SBSJCJWFVQOFSO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312497; PubChem:CID44627735
|
Local ready
Direct docking supported
|
|
E3L052087
BDB052087
|
BDBM50312498
COc1ccc(-c2nc(COc3ccc(CCC(=O)O)c(C(F)(F)F)c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C28H21F6NO4S 581.534000 |
JMHKDQOTMYQVPB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312498; PubChem:CID44627732
|
Local ready
Direct docking supported
|
|
E3L052088
BDB052088
|
BDBM50312499
COc1ccc(-c2nc(COc3ccc4c(c3)CC(C(=O)O)O4)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C27H20F3NO5S 527.520000 |
MFCORXDLLLGYGU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312499; PubChem:CID44627844
|
Local ready
Direct docking supported
|
|
E3L052089
BDB052089
|
BDBM50312500
COc1ccc(-c2nc(COc3ccc(CC(=O)O)cc3Cl)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C26H19ClF3NO4S 533.955000 |
OKZROQNHAPLGIO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312500; PubChem:CID44627847
|
Local ready
Direct docking supported
|
|
E3L052090
BDB052090
|
BDBM50312501
COc1ccc(-c2nc(COc3ccc4c(CC(=O)O)cccc4c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C30H22F3NO4S 549.570000 |
UXNAHMSBHUHRKW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312501; PubChem:CID44627734
|
Local ready
Direct docking supported
|
|
E3L052091
BDB052091
|
BDBM50312502
CCOC(Cc1ccc(OCc2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)s2)cc1)C(=O)O
|
C29H26F3NO5S 557.590000 |
WHYOEMGDHWLQND-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312502; PubChem:CID44627634
|
Local ready
Direct docking supported
|
|
E3L052092
BDB052092
|
BDBM50312503
COc1ccc(-c2nc(COc3ccc(OC(C)(C)C(=O)O)cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C28H24F3NO5S 543.563000 |
DWOWFTSWXFWSEX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312503; PubChem:CID44627633
|
Local ready
Direct docking supported
|
|
E3L052093
BDB052093
|
BDBM50312504
COc1ccc(-c2nc(COc3ccc(CC(=O)O)cc3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C26H20F3NO4S 499.510000 |
RVXJUPZVCFYIAG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312504; PubChem:CID44627845
|
Local ready
Direct docking supported
|
|
E3L052094
BDB052094
|
BDBM50312505
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)cc3C)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C27H22F3NO5S 529.536000 |
HVRFEHXKUGFADS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312505; PubChem:CID44627636
|
Local ready
Direct docking supported
|
|
E3L052095
BDB052095
|
BDBM50312506
COc1ccc(-c2nc(COc3ccc(OCC(=O)O)c4ccccc34)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C30H22F3NO5S 565.569000 |
YWSWRJYWMJHYJW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312506; PubChem:CID44627733
|
Local ready
Direct docking supported
|
|
E3L052096
BDB052096
|
BDBM50312507
COc1ccc(-c2nc(COc3ccccc3OCC(=O)O)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C26H20F3NO5S 515.509000 |
JRKVGPRKUZSKJK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50312507; PubChem:CID44627533
|
Local ready
Direct docking supported
|
|
E3L052097
BDB052097
|
BDBM50312508
COc1ccc(-c2nc(COc3ccc4oc(C(=O)O)cc4c3)sc2-c2ccc(C(F)(F)F)cc2)cc1
|
C27H18F3NO5S 525.504000 |
AMOIUYLHGXKLFT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50312508; PubChem:CID44627843
|
Local ready
Direct docking supported
|
|
E3L052098
BDB052098
|
BDBM50312605
Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2sc(C(C)(C)O)cc2n1
|
C18H22N6O2S 386.481000 |
SFWTVVNNVHWDEE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50312605; PubChem:CID46180666
|
Local ready
Direct docking supported
|
|
E3L052099
BDB052099
|
Gne-493
CC(C)(O)c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1
|
C17H20N6O2S 372.454000 |
LEXMMFPAPDGYGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50312613; PubChem:CID25242324
|
Local ready
Direct docking supported
|
|
E3L052100
BDB052100
|
BDBM50312990
Cn1cc(C2=C(c3cccc(NC[C@H](O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21
|
C22H20FN3O4 409.417000 |
RPGZQOOZHIEPJW-HNNXBMFYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50312990; PubChem:CID448238
|
Local ready
Direct docking supported
|