| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050601
BDB050601
|
2-(5-Fluoro-1H-inden-3-yl)acetic acid
O=C(O)CC1=CCc2ccc(F)cc21
|
C11H9FO2 192.189000 |
ZRPIKTXRSSYELZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272904; PubChem:CID20356227
|
Local ready
Direct docking supported
|
|
E3L050602
BDB050602
|
BDBM50272905
O=C(O)CC1=C/C(=C\c2ccccc2)c2ccc(F)cc21
|
C18H13FO2 280.298000 |
OXFSLWWQZNLBRN-MDWZMJQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272905; PubChem:CID25034324
|
Local ready
Direct docking supported
|
|
E3L050603
BDB050603
|
BDBM50272906
Cc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C19H15FO2 294.325000 |
BSBUARGYZOOGST-RIYZIHGNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272906; PubChem:CID25034325
|
Local ready
Direct docking supported
|
|
E3L050604
BDB050604
|
3-(4-Carbamoylphenoxy)benzamide
NC(=O)c1ccc(Oc2cccc(C(N)=O)c2)cc1
|
C14H12N2O3 256.261000 |
PMOXYDXLQIUWHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50272952; PubChem:CID69845715
|
Local ready
Direct docking supported
|
|
E3L050605
BDB050605
|
BDBM50272955
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cc1
|
C24H22FN3O3 419.456000 |
MFXVNPUAZXWGLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50272955; PubChem:CID145963465
|
Local ready
Direct docking supported
|
|
E3L050606
BDB050606
|
BDBM50272959
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(O)(c4ccc(F)cc4)CC3)c2)cc1
|
C25H23FN2O4 434.467000 |
NHIHFAXIWOUOKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50272959; PubChem:CID145962722
|
Local ready
Direct docking supported
|
|
E3L050607
BDB050607
|
BDBM50272966
NC(=O)c1ccc(Oc2cccc(C(=O)N3CCC(c4ccc(F)cc4)CC3)c2)cc1
|
C25H23FN2O3 418.468000 |
GKQVMMKXPPAKMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50272966; PubChem:CID133107908
|
Local ready
Direct docking supported
|
|
E3L050608
BDB050608
|
BDBM50272978
CCC(Cc1cc(F)c(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O
|
C21H21F4NO4 427.394000 |
PQGSGRHMFZFYPG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50272978; PubChem:CID24890336
|
Local ready
Direct docking supported
|
|
E3L050609
BDB050609
|
BDBM50272984
O=C(O)CC1=C/C(=C\c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21
|
C19H12F4O2 348.295000 |
SQPNVCUGHYUOEK-KPKJPENVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272984; PubChem:CID25034326
|
Local ready
Direct docking supported
|
|
E3L050610
BDB050610
|
BDBM50272985
C#Cc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C20H13FO2 304.320000 |
OLMBCUZWJVTVBA-OQLLNIDSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272985; PubChem:CID25034327
|
Local ready
Direct docking supported
|
|
E3L050611
BDB050611
|
BDBM50272986
[N-]=[N+]=NCc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C19H14FN3O2 335.338000 |
YEZBAAFVXWXQDA-VGOFMYFVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272986; PubChem:CID25034328
|
Local ready
Direct docking supported
|
|
E3L050612
BDB050612
|
BDBM50272987
COc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C19H15FO3 310.324000 |
GKMAPNIKFMYEQG-MDWZMJQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272987; PubChem:CID25034329
|
Local ready
Direct docking supported
|
|
E3L050613
BDB050613
|
BDBM50272988
CC(C)(C)Oc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
|
C22H21FO3 352.405000 |
CGFBDMOUJWFUTH-XNTDXEJSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50272988; PubChem:CID25034330
|
Local ready
Direct docking supported
|
|
E3L050614
BDB050614
|
BDBM50273018
CCC(Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)cc1F)C(=O)O
|
C21H21F4NO4 427.394000 |
HPISAFBFGZOPOG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50273018; PubChem:CID24890510
|
Local ready
Direct docking supported
|
|
E3L050615
BDB050615
|
BDBM50273019
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2F)c1)C(=O)O
|
C30H36FNO4 493.619000 |
KSIQZOUSAASEIJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273019; PubChem:CID24890334
|
Local ready
Direct docking supported
|
|
E3L050616
BDB050616
|
BDBM50273020
CCC(Cc1cc(F)c(OC)c(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1)C(=O)O
|
C30H36FNO4 493.619000 |
OXCSNXHRBNHNAM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50273020; PubChem:CID24890509
|
Local ready
Direct docking supported
|
|
E3L050617
BDB050617
|
BDBM50273027
O=C(O)CC1=C/C(=C\c2ccc(SC(F)(F)F)cc2)c2ccc(F)cc21
|
C19H12F4O2S 380.362000 |
NPPDMRLSURBHGR-KPKJPENVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273027; PubChem:CID25034407
|
Local ready
Direct docking supported
|
|
E3L050618
BDB050618
|
BDBM50273028
O=C(O)CC1=C/C(=C\c2ccc3ccccc3c2)c2ccc(F)cc21
|
C22H15FO2 330.358000 |
BLDZBZMGSVOARQ-LICLKQGHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273028; PubChem:CID25034408
|
Local ready
Direct docking supported
|
|
E3L050619
BDB050619
|
BDBM50273029
O=C(O)CC1=C/C(=C\c2ccc3nccnc3c2)c2ccc(F)cc21
|
C20H13FN2O2 332.334000 |
KKLVWUGQXKYUGT-NTUHNPAUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273029; PubChem:CID25034409
|
Local ready
Direct docking supported
|
|
E3L050620
BDB050620
|
BDBM50273030
O=C(O)CC1=C/C(=C\c2cccc3ccccc23)c2ccc(F)cc21
|
C22H15FO2 330.358000 |
FMXDBQMROQRIEH-MHWRWJLKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273030; PubChem:CID25034410
|
Local ready
Direct docking supported
|