| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062601
BDB062601
|
L-3-(Benzylthio)-N-(phenylacetyl)alanine
O=C(Cc1ccccc1)NC(CSCc1ccccc1)C(=O)O
|
C18H19NO3S 329.421000 |
QPJDYFJSCDMPOG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604549; PubChem:CID21515
|
Local ready
Direct docking supported
|
|
E3L062602
BDB062602
|
BDBM50604550
CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)O
|
C22H24N2O7S 460.508000 |
CXJJIIVCCYQCRE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604550; PubChem:CID168289683
|
Local ready
Direct docking supported
|
|
E3L062603
BDB062603
|
BDBM50604551
CC(C)(C)OC(=O)NC(COCc1ccc(-c2ccccc2)cc1)C(=O)O
|
C21H25NO5 371.433000 |
DNZRZQNWMQKAPV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50604551; PubChem:CID21921661
|
Local ready
Direct docking supported
|
|
E3L062604
BDB062604
|
2-Benzamido-3-benzylsulfanylbutanoic acid
CC(SCc1ccccc1)C(NC(=O)c1ccccc1)C(=O)O
|
C18H19NO3S 329.421000 |
QCEXTMFEHJRYKY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50604552; PubChem:CID286509
|
Local ready
Direct docking supported
|
|
E3L062605
BDB062605
|
BDBM50604553
CC(C)(C)OC(=O)NC(COCc1ccc(Cc2ccccc2)cc1)C(=O)O
|
C22H27NO5 385.460000 |
QGGYSCGHENRMAT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604553; PubChem:CID168279284
|
Local ready
Direct docking supported
|
|
E3L062606
BDB062606
|
BDBM50604554
CC(C)(C)OC(=O)NC(COCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
C22H25NO6 399.443000 |
ZUGHLSBGGIKDNF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50604554; PubChem:CID86086650
|
Local ready
Direct docking supported
|
|
E3L062607
BDB062607
|
1-acetyl-N-(3-methoxyphenyl)-5-indolinesulfonamide
COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1
|
C17H18N2O4S 346.408000 |
KSTURSIMNVGBDO-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604839; PubChem:CID2988869
|
Local ready
Direct docking supported
|
|
E3L062608
BDB062608
|
BDBM50604840
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C4CC4)c3)ccc21
|
C19H20N2O3S 356.447000 |
JKQJIMPWNYLMGV-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604840; PubChem:CID168277720
|
Local ready
Direct docking supported
|
|
E3L062609
BDB062609
|
BDBM50604841
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C4CCCC4)c3)ccc21
|
C21H24N2O3S 384.501000 |
WTXNATUVOGQGJL-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604841; PubChem:CID168296473
|
Local ready
Direct docking supported
|
|
E3L062610
BDB062610
|
BDBM50604842
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C4CCCCC4)c3)ccc21
|
C22H26N2O3S 398.528000 |
KOBZWLXCDNMDLF-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604842; PubChem:CID168293084
|
Local ready
Direct docking supported
|
|
E3L062611
BDB062611
|
BDBM50604843
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccco4)c3)ccc21
|
C20H18N2O4S 382.441000 |
PJXRCMXYZHXOFP-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604843; PubChem:CID168296969
|
Local ready
Direct docking supported
|
|
E3L062612
BDB062612
|
BDBM50604844
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccoc4)c3)ccc21
|
C20H18N2O4S 382.441000 |
QHHJYQWEQZJICP-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604844; PubChem:CID168286222
|
Local ready
Direct docking supported
|
|
E3L062613
BDB062613
|
BDBM50604845
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4cccs4)c3)ccc21
|
C20H18N2O3S2 398.509000 |
BRHFGVJZSGFBTN-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604845; PubChem:CID168292716
|
Local ready
Direct docking supported
|
|
E3L062614
BDB062614
|
BDBM50604846
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4cnn(C)c4)c3)ccc21
|
C20H20N4O3S 396.472000 |
ZPPABIFXBIANFY-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604846; PubChem:CID168270144
|
Local ready
Direct docking supported
|
|
E3L062615
BDB062615
|
BDBM50604847
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccccc4)c3)ccc21
|
C22H20N2O3S 392.480000 |
PHFABQUKUFUADE-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604847; PubChem:CID168268968
|
Local ready
Direct docking supported
|
|
E3L062616
BDB062616
|
BDBM50604848
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccccc4C)c3)ccc21
|
C23H22N2O3S 406.507000 |
DWLAAJKNNUXQMP-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604848; PubChem:CID168281925
|
Local ready
Direct docking supported
|
|
E3L062617
BDB062617
|
BDBM50604849
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(-c4ccc(F)cc4C)c3)ccc21
|
C23H21FN2O3S 424.497000 |
IHWPIUQBWKBXKA-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604849; PubChem:CID168274468
|
Local ready
Direct docking supported
|
|
E3L062618
BDB062618
|
BDBM50604850
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(=O)c4ccccc4)c3)ccc21
|
C23H20N2O4S 420.490000 |
HNYBJPOJZNKAPJ-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604850; PubChem:CID168274559
|
Local ready
Direct docking supported
|
|
E3L062619
BDB062619
|
BDBM50604851
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(-c4ccco4)ccc3F)ccc21
|
C20H17FN2O4S 400.431000 |
DQVQISCWASJYEK-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604851; PubChem:CID168279213
|
Local ready
Direct docking supported
|
|
E3L062620
BDB062620
|
BDBM50604852
CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(-c4ccco4)ccc3C)ccc21
|
C21H20N2O4S 396.468000 |
LJJMZTLUWNXVRR-UHFFFAOYSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50604852; PubChem:CID168280181
|
Local ready
Direct docking supported
|