| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054701
BDB054701
|
Seimatopolide B
CCCCCCCCC[C@H]1CC[C@H](O)/C=C/[C@H](O)CC(=O)O1
|
C18H32O4 312.450000 |
XPIVIEHYRXZHSQ-SRXSTOJXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384910; PubChem:CID57409556
|
Local ready
Direct docking supported
|
|
E3L054702
BDB054702
|
BDBM50384971
CCCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
|
C24H24F3NO3S2 495.588000 |
NSJOUOFECXFWLG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384971; PubChem:CID60166650
|
Local ready
Direct docking supported
|
|
E3L054703
BDB054703
|
BDBM50384972
Cc1cc(SC(CC(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C25H26F3NO3S2 509.615000 |
XSSCXIKATZTDKI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384972; PubChem:CID60166651
|
Local ready
Direct docking supported
|
|
E3L054704
BDB054704
|
BDBM50384973
Cc1cc(SC(CC2CC2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C25H24F3NO3S2 507.599000 |
MQWQMHPKGLTROT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384973; PubChem:CID60166891
|
Local ready
Direct docking supported
|
|
E3L054705
BDB054705
|
BDBM50384974
Cc1cc(SC(Cc2c(F)cccc2Cl)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C28H22ClF4NO3S2 596.067000 |
QOVKJGDSVKTSFY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384974; PubChem:CID56942395
|
Local ready
Direct docking supported
|
|
E3L054706
BDB054706
|
BDBM50384975
Cc1cc(SC(Cc2c(F)cccc2C(F)(F)F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C29H22F7NO3S2 629.619000 |
TZFKQLSFWPNBEM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384975; PubChem:CID60166385
|
Local ready
Direct docking supported
|
|
E3L054707
BDB054707
|
BDBM50384976
Cc1cc(SC(Cc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C28H24F3NO3S2 543.632000 |
UHZSDVNOWGZQIJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384976; PubChem:CID56940812
|
Local ready
Direct docking supported
|
|
E3L054708
BDB054708
|
BDBM50384977
CCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
|
C23H22F3NO3S2 481.561000 |
ZFXIEQFQUDNRDD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384977; PubChem:CID60166649
|
Local ready
Direct docking supported
|
|
E3L054709
BDB054709
|
BDBM50384978
Cc1cc(SC(Cc2c(F)cccc2F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C28H22F5NO3S2 579.612000 |
HGUFSFULYKABEO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384978; PubChem:CID60166384
|
Local ready
Direct docking supported
|
|
E3L054710
BDB054710
|
BDBM50384979
CCCCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
|
C25H26F3NO3S2 509.615000 |
JYVHKHHKUPLYOZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384979; PubChem:CID70688075
|
Local ready
Direct docking supported
|
|
E3L054711
BDB054711
|
BDBM50384980
Cc1cc(SC(CCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C29H26F3NO3S2 557.659000 |
OBEYGAWFKPBUQG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384980; PubChem:CID11997929
|
Local ready
Direct docking supported
|
|
E3L054712
BDB054712
|
BDBM50384981
Cc1cc(SC(Cc2c(Cl)cccc2Cl)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C28H22Cl2F3NO3S2 612.522000 |
OMTXFQXTLSQCDH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384981; PubChem:CID60166386
|
Local ready
Direct docking supported
|
|
E3L054713
BDB054713
|
BDBM50384982
Cc1cc(SC(Cc2ccc(-c3ccccc3)cc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C34H28F3NO3S2 619.730000 |
CRHWCJFQSNFQMK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384982; PubChem:CID56941393
|
Local ready
Direct docking supported
|
|
E3L054714
BDB054714
|
BDBM50384983
Cc1cc(SC(Cc2ccc(F)cc2F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C28H22F5NO3S2 579.612000 |
UDYJBTDOLSXTBP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384983; PubChem:CID60166387
|
Local ready
Direct docking supported
|
|
E3L054715
BDB054715
|
BDBM50384984
COc1ccc(CC(Sc2ccc(OCC(=O)O)c(C)c2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1
|
C29H26F3NO4S2 573.658000 |
MTOXHLXMIDXIFJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50384984
|
Local ready
Direct docking supported
|
|
E3L054716
BDB054716
|
BDBM50384985
Cc1cc(SC(CCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C30H28F3NO3S2 571.686000 |
DUZVPJRZUHZSMN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384985; PubChem:CID60166133
|
Local ready
Direct docking supported
|
|
E3L054717
BDB054717
|
BDBM50384986
Cc1cc(SC(Cc2cc(F)c(F)c(F)c2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C28H21F6NO3S2 597.602000 |
VRQBNZLPOKTLAT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384986; PubChem:CID60166513
|
Local ready
Direct docking supported
|
|
E3L054718
BDB054718
|
BDBM50384987
Cc1cc(SC(Cc2c(F)c(F)c(F)c(F)c2F)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C28H19F8NO3S2 633.582000 |
QAYIVENIKDHQKG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384987; PubChem:CID60166514
|
Local ready
Direct docking supported
|
|
E3L054719
BDB054719
|
BDBM50384988
Cc1cc(SC(Cc2ccc(C(F)(F)F)cc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C29H23F6NO3S2 611.629000 |
DHMMTLBKSCKNQS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50384988; PubChem:CID60166267
|
Local ready
Direct docking supported
|
|
E3L054720
BDB054720
|
BDBM50384989
Cc1cc(SC(CCCCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
|
C32H32F3NO3S2 599.740000 |
VDVOIWGYBZKFKO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50384989; PubChem:CID60166383
|
Local ready
Direct docking supported
|