| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046441
BDB046441
|
BDBM50133663
CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H27NO5S 489.593000 |
BZOJZXAZYCWFPH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133663; PubChem:CID91932652
|
Local ready
Direct docking supported
|
|
E3L046442
BDB046442
|
BDBM50133664
CCCc1cc(C2CCC(O)CC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C27H33NO6 467.562000 |
WQTORKHEYYNDIO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133664; PubChem:CID91932261
|
Local ready
Direct docking supported
|
|
E3L046443
BDB046443
|
BDBM50133665
CCCc1cc(C2CCOCC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C26H31NO6 453.535000 |
NQHKVVYCDHWYMA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133665; PubChem:CID91182856
|
Local ready
Direct docking supported
|
|
E3L046444
BDB046444
|
BDBM50133666
CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H35NO4S 481.658000 |
FHOLKEDFOWSHBF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133666; PubChem:CID91932653
|
Local ready
Direct docking supported
|
|
E3L046445
BDB046445
|
BDBM50133667
CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C26H31NO5S 469.603000 |
JTMCOCSXXYYQNL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50133667; PubChem:CID91932654
|
Local ready
Direct docking supported
|
|
E3L046446
BDB046446
|
BDBM50133668
CCCc1cc(C2CCC(C)(C)CC2)ccc1OCCCOc1cccc(-c2oc(=O)[nH]c2O)c1
|
C29H37NO5 479.617000 |
JRTSHDOBSDIHFX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133668; PubChem:CID53971253
|
Local ready
Direct docking supported
|
|
E3L046447
BDB046447
|
BDBM50133669
CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc(-c2sc(=O)[nH]c2O)c1
|
C28H35NO5S 497.657000 |
RZPSHFUDFFYTTI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50133669; PubChem:CID91932655
|
Local ready
Direct docking supported
|
|
E3L046448
BDB046448
|
BDBM50134187
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
|
C23H26F2N4O2 428.483000 |
QCLXNOBXQUWUEW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50134187; PubChem:CID71680628
|
Local ready
Direct docking supported
|
|
E3L046449
BDB046449
|
Gliotoxin
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3
|
C13H14N2O4S2 326.399000 |
FIVPIPIDMRVLAY-RBJBARPLSA-N | Q96EP0, Q9BYM8, Q9H0F6 | Sharpin |
BindingDB, PubChem
BindingDB:BDBM50134315; PubChem:CID6223
|
Local ready
Direct docking supported
|
|
E3L046450
BDB046450
|
benzo(a)pyrrolo(3,4-c)carbazole-1,3(2H,8H)-dione
O=C1NC(=O)c2c1c1ccccc1c1[nH]c3ccccc3c21
|
C18H10N2O2 286.290000 |
IUWAGZUDXHNNFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50134580; PubChem:CID11161961
|
Local ready
Direct docking supported
|
|
E3L046451
BDB046451
|
BDBM50134838
CCO[C@@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3ccc(/C(C)=C/COc4ccc(C[C@H](OCC)C(=O)O)cc4)cc3)cc2)cc1)C(=O)O
|
C42H46O8 678.822000 |
WBNNGLSTECFJOB-VJKJWSEFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50134838; PubChem:CID11169884
|
Local ready
Direct docking supported
|
|
E3L046452
BDB046452
|
BDBM50134839
CCO[C@@H](Cc1ccc(OC/C=C/C#Cc2ccc(C#C/C=C/COc3ccc(C[C@H](OCC)C(=O)O)cc3)cc2)cc1)C(=O)O
|
C38H38O8 622.714000 |
PPRHTQAPLDSYQI-TXCJTKGJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50134839; PubChem:CID10371709
|
Local ready
Direct docking supported
|
|
E3L046453
BDB046453
|
BDBM50134840
CCO[C@@H](Cc1ccc(OC/C=C/C#Cc2ccccc2)cc1)C(=O)O
|
C22H22O4 350.414000 |
LTZUJPUCWXJTSU-VPVJOJIASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50134840; PubChem:CID11393977
|
Local ready
Direct docking supported
|
|
E3L046454
BDB046454
|
BDBM50134841
CCO[C@@H](Cc1ccc(OC/C=C/C#Cc2cccc(C#C/C=C/COc3ccc(C[C@H](OCC)C(=O)O)cc3)c2)cc1)C(=O)O
|
C38H38O8 622.714000 |
LMKKIEZOWSKCSP-TXCJTKGJSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50134841; PubChem:CID9960726
|
Local ready
Direct docking supported
|
|
E3L046455
BDB046455
|
BDBM50134842
CCO[C@@H](Cc1ccc(OC/C=C(\C)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
C27H28O4 416.517000 |
IARLQHYKUDROPT-GDNFTRMYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50134842; PubChem:CID10093355
|
Local ready
Direct docking supported
|
|
E3L046456
BDB046456
|
BDBM50135286
Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21
|
C22H15F2N5O3S 467.457000 |
ZEHBZHZMQSHZFI-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50135286; PubChem:CID67240318
|
Local ready
Direct docking supported
|
|
E3L046457
BDB046457
|
BDBM50135450
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2ccccc2F)cc(C(C)C)c1OCC(F)F
|
C26H27F3O3 444.493000 |
PHZXUKHBCDQECD-PVINZEOUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50135450
|
Local ready
Direct docking supported
|
|
E3L046458
BDB046458
|
BDBM50135451
CCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(F)(F)C(F)(F)F)cc1C(C)C
|
C22H25F5O3 432.429000 |
IXJIVOFEKLAPRC-GNFXPBCZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50135451; PubChem:CID44353481
|
Local ready
Direct docking supported
|
|
E3L046459
BDB046459
|
BDBM50135452
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2ccco2)cc(C(C)C)c1OCC(F)F
|
C24H26F2O4 416.464000 |
IIGXFBSZCFYBHM-JCBBLABWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50135452; PubChem:CID44353335
|
Local ready
Direct docking supported
|
|
E3L046460
BDB046460
|
BDBM50135453
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(-c2cccs2)cc(C(C)C)c1OCC(F)F
|
C24H26F2O3S 432.532000 |
DVYKPLHNGRWMAH-JCBBLABWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50135453; PubChem:CID44353336
|
Local ready
Direct docking supported
|