| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050701
BDB050701
|
BDBM50275920
O=C(O)C(Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1
|
C21H17ClO4 368.816000 |
MSSRKTSVXGKBDH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275920; PubChem:CID25110744
|
Local ready
Direct docking supported
|
|
E3L050702
BDB050702
|
BDBM50275921
O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1
|
C21H17ClO4 368.816000 |
MSSRKTSVXGKBDH-HXUWFJFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275921; PubChem:CID44590001
|
Local ready
Direct docking supported
|
|
E3L050703
BDB050703
|
BDBM50275922
O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1
|
C21H17ClO4 368.816000 |
MSSRKTSVXGKBDH-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275922; PubChem:CID44590002
|
Local ready
Direct docking supported
|
|
E3L050704
BDB050704
|
(S)-3-(biphenyl-4-yl)-2-(4-chlorophenoxy)propanoic acid
O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1
|
C21H17ClO3 352.817000 |
DYZWIPDIDSFNLE-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50275923; PubChem:CID44590003
|
Local ready
Direct docking supported
|
|
E3L050705
BDB050705
|
BDBM50275924
O=C(O)[C@H](Cc1ccc(-c2cccs2)cc1)Oc1ccc(Cl)cc1
|
C19H15ClO3S 358.846000 |
KCXRTOMBQGOLRH-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50275924; PubChem:CID44590004
|
Local ready
Direct docking supported
|
|
E3L050706
BDB050706
|
phenyl (E)-2-phenylethenesulfonate
O=S(=O)(/C=C/c1ccccc1)Oc1ccccc1
|
C14H12O3S 260.314000 |
MIQFBVNMSNEFFS-VAWYXSNFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275950; PubChem:CID1551564
|
Local ready
Direct docking supported
|
|
E3L050707
BDB050707
|
BDBM50275968
O=C(O)[C@H](Cc1ccc(C(F)(F)F)cc1)Oc1ccc(Cl)cc1
|
C16H12ClF3O3 344.716000 |
GKKPZUKGEAWMMS-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50275968; PubChem:CID44590101
|
Local ready
Direct docking supported
|
|
E3L050708
BDB050708
|
Naphthalen-2-yl 2-phenylethenesulfonate
O=S(=O)(/C=C/c1ccccc1)Oc1ccc2ccccc2c1
|
C18H14O3S 310.374000 |
LATGHFGQZUSPBC-OUKQBFOZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275988; PubChem:CID6058603
|
Local ready
Direct docking supported
|
|
E3L050709
BDB050709
|
p-Tolyl 2-phenylethenesulfonate
Cc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
|
C15H14O3S 274.341000 |
BBLOQPZUCNQYHG-VAWYXSNFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275989; PubChem:CID6161619
|
Local ready
Direct docking supported
|
|
E3L050710
BDB050710
|
m-Tolyl 2-phenylethenesulfonate
Cc1cccc(OS(=O)(=O)/C=C/c2ccccc2)c1
|
C15H14O3S 274.341000 |
SEPMQFUPDKZGIH-ZHACJKMWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275990; PubChem:CID6270191
|
Local ready
Direct docking supported
|
|
E3L050711
BDB050711
|
4-Chlorophenyl 2-phenylethenesulfonate
O=S(=O)(/C=C/c1ccccc1)Oc1ccc(Cl)cc1
|
C14H11ClO3S 294.759000 |
FQRUUQMOZDJJJY-ZHACJKMWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275991; PubChem:CID5889656
|
Local ready
Direct docking supported
|
|
E3L050712
BDB050712
|
2,4,6-Trichlorophenyl 2-phenylethenesulfonate
O=S(=O)(/C=C/c1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl
|
C14H9Cl3O3S 363.649000 |
MZOFHFZEKXZVQK-VOTSOKGWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275992; PubChem:CID5975420
|
Local ready
Direct docking supported
|
|
E3L050713
BDB050713
|
4-Methoxyphenyl 2-phenylethenesulfonate
COc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
|
C15H14O4S 290.340000 |
VGUBZZARCMBYLX-VAWYXSNFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50275993; PubChem:CID6036014
|
Local ready
Direct docking supported
|
|
E3L050714
BDB050714
|
2-Phenyl-ethenesulfonic acid 4-benzyloxy-phenyl ester
O=S(=O)(/C=C/c1ccccc1)Oc1ccc(OCc2ccccc2)cc1
|
C21H18O4S 366.438000 |
AOPFHAGONPPDBQ-FOCLMDBBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50276029; PubChem:CID6027581
|
Local ready
Direct docking supported
|
|
E3L050715
BDB050715
|
Ethyl 4-(styrylsulfonyloxy)benzoate
CCOC(=O)c1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
|
C17H16O5S 332.377000 |
PBCQYYSSCAJILR-OUKQBFOZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50276030; PubChem:CID5863774
|
Local ready
Direct docking supported
|
|
E3L050716
BDB050716
|
4-Formylphenyl 2-phenylethenesulfonate
O=Cc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
|
C15H12O4S 288.324000 |
UPTLIZVLJJLDOT-ZHACJKMWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50276031; PubChem:CID5967793
|
Local ready
Direct docking supported
|
|
E3L050717
BDB050717
|
4-Acetamidophenyl 2-phenylethenesulfonate
CC(=O)Nc1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
|
C16H15NO4S 317.366000 |
UHBPFLCHRKKGLH-VAWYXSNFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50276032; PubChem:CID6241863
|
Local ready
Direct docking supported
|
|
E3L050718
BDB050718
|
2-Phenyl-ethenesulfonic acid 3-phenoxy-phenyl ester
O=S(=O)(/C=C/c1ccccc1)Oc1cccc(Oc2ccccc2)c1
|
C20H16O4S 352.411000 |
KWXFJGCVGIFLQY-CCEZHUSRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50276033; PubChem:CID5829359
|
Local ready
Direct docking supported
|
|
E3L050719
BDB050719
|
3-(Styrylsulfonyloxy)benzoic acid
O=C(O)c1cccc(OS(=O)(=O)/C=C/c2ccccc2)c1
|
C15H12O5S 304.323000 |
RDYDEINYBPPLDM-MDZDMXLPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50276034; PubChem:CID6300697
|
Local ready
Direct docking supported
|
|
E3L050720
BDB050720
|
Alternariol monomethyl ether
COc1cc(O)c2c(=O)oc3cc(O)cc(C)c3c2c1
|
C15H12O5 272.256000 |
LCSDQFNUYFTXMT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50276157; PubChem:CID5360741
|
Local ready
Direct docking supported
|