| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046241
BDB046241
|
BDBM50127933
CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C27H26FNO5S 495.572000 |
DPMHGGSKVDTBJK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127933; PubChem:CID53772314
|
Local ready
Direct docking supported
|
|
E3L046242
BDB046242
|
BDBM50127934
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1OC
|
C28H29NO6S 507.608000 |
IKHJIOCGLVRYRW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127934; PubChem:CID91932577
|
Local ready
Direct docking supported
|
|
E3L046243
BDB046243
|
BDBM50127935
CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C33H31NO5S 553.680000 |
KAUNHKUXLRUEQL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50127935; PubChem:CID90764523
|
Local ready
Direct docking supported
|
|
E3L046244
BDB046244
|
BDBM50127936
O=c1[nH]c(O)c(-c2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2)s1
|
C24H21NO5S 435.501000 |
SYZMDAZCXPOTBB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127936; PubChem:CID91932578
|
Local ready
Direct docking supported
|
|
E3L046245
BDB046245
|
Irinotecan
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
|
C33H38N4O6 586.689000 |
UWKQSNNFCGGAFS-XIFFEERXSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM50128267; PubChem:CID60838
|
Local ready
Direct docking supported
|
|
E3L046246
BDB046246
|
Enzastaurin
Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
|
C32H29N5O2 515.617000 |
AXRCEOKUDYDWLF-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50128285; PubChem:CID176167
|
Local ready
Direct docking supported
|
|
E3L046247
BDB046247
|
Butanoic acid, 4-(hydroxyamino)-4-oxo-
O=C(O)CCC(=O)NO
|
C4H7NO4 133.103000 |
AGEUQNZXCIVHPB-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50129197; PubChem:CID252439
|
Local ready
Direct docking supported
|
|
E3L046248
BDB046248
|
BDBM50129717
COc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)C)cc1C(C)C
|
C22H30O3 342.479000 |
LPWCYKDBURUOIZ-HNBVHFCESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129717; PubChem:CID10936808
|
Local ready
Direct docking supported
|
|
E3L046249
BDB046249
|
BDBM50129718
CCCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C
|
C26H38O3 398.587000 |
BLKMJRAWGQIQDA-ANPOFYETSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129718; PubChem:CID9908857
|
Local ready
Direct docking supported
|
|
E3L046250
BDB046250
|
BDBM50129719
COc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C
|
C24H34O3 370.533000 |
MESVMRRPHFEFOB-CABFJEEQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129719; PubChem:CID9885730
|
Local ready
Direct docking supported
|
|
E3L046251
BDB046251
|
BDBM50129720
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)F
|
C25H34F2O3 420.540000 |
BHIBZAZKKARFIM-XRYBSMBUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129720; PubChem:CID9845057
|
Local ready
Direct docking supported
|
|
E3L046252
BDB046252
|
BDBM50129721
CCC(C)(C)c1cc(\C(C)=C/C=C/C(C)=C/C(=O)O)c(OCC(F)F)c(C(C)(C)CC)c1
|
C27H38F2O3 448.594000 |
HHIXIADJLOVLQC-BVSJNERWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129721; PubChem:CID11080831
|
Local ready
Direct docking supported
|
|
E3L046253
BDB046253
|
BDBM50129722
CCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)(C)CC)cc1C(C)(C)CC
|
C27H40O3 412.614000 |
XPNYPEOXBQXYDQ-BLWADDNASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129722; PubChem:CID10916642
|
Local ready
Direct docking supported
|
|
E3L046254
BDB046254
|
BDBM50129723
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)C)cc(C(C)C)c1OCCF
|
C23H31FO3 374.496000 |
IZRBTAOACLYFOA-PVINZEOUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129723; PubChem:CID10937639
|
Local ready
Direct docking supported
|
|
E3L046255
BDB046255
|
BDBM50129724
CCCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)C)cc1C(C)C
|
C24H34O3 370.533000 |
TYMBNWYPCYSZOZ-RSMBVSHGSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129724; PubChem:CID11079184
|
Local ready
Direct docking supported
|
|
E3L046256
BDB046256
|
BDBM50129725
CCCCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)C)cc1C(C)C
|
C25H36O3 384.560000 |
VAHYHAIEBMCUDU-HEIONRKESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129725; PubChem:CID9908099
|
Local ready
Direct docking supported
|
|
E3L046257
BDB046257
|
BDBM50129726
CCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)C)cc1C(C)C
|
C23H32O3 356.506000 |
HQROCOFWMCGIQB-IXGCMVFISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129726; PubChem:CID10926384
|
Local ready
Direct docking supported
|
|
E3L046258
BDB046258
|
BDBM50129727
C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1OCC(F)(F)F
|
C25H33F3O3 438.530000 |
LLVWDWDMKXWCFT-XRYBSMBUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129727; PubChem:CID9824444
|
Local ready
Direct docking supported
|
|
E3L046259
BDB046259
|
BDBM50129728
CCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C
|
C25H36O3 384.560000 |
UDGIIBLSAWJGEA-HNKNLTESSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129728; PubChem:CID9952045
|
Local ready
Direct docking supported
|
|
E3L046260
BDB046260
|
BDBM50129729
CCCOc1c(\C(C)=C/C=C/C(C)=C/C(=O)O)cc(C(C)(C)CC)cc1C(C)(C)CC
|
C28H42O3 426.641000 |
JDQNUWQDRYZSEY-VKHHFPQQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50129729; PubChem:CID10938844
|
Local ready
Direct docking supported
|