| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046221
BDB046221
|
BDBM50127377
CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@H](O)C1=C(C)C(=O)OC1=O)C(C)C
|
C41H66O13 766.966000 |
RFCWHQNNCOJYTR-MWQQWLKSSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB
BindingDB:BDBM50127377
|
Local ready
Direct docking supported
|
|
E3L046222
BDB046222
|
BDBM50127378
CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@](C)(O)C(=O)O)C(C)C
|
C38H66O12 714.934000 |
BSLJWMWJGPZFGR-DIQVTXTJSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB
BindingDB:BDBM50127378
|
Local ready
Direct docking supported
|
|
E3L046223
BDB046223
|
BDBM50127379
CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)CCCP(=O)(O)O)C(C)C
|
C37H67O12P 734.905000 |
LYYUKDGGQDIULR-QMPWCTFMSA-N | Q15257 | Serine/threonine-protein phosphatase 2A activator |
BindingDB
BindingDB:BDBM50127379
|
Local ready
Direct docking supported
|
|
E3L046224
BDB046224
|
2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline
c1ccc2c(c1)CCN(c1ccncc1)C2
|
C14H14N2 210.280000 |
CIOBWNSCGKJAQU-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50127824; PubChem:CID9877750
|
Local ready
Direct docking supported
|
|
E3L046225
BDB046225
|
BDBM50127917
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1F
|
C27H26FNO5S 495.572000 |
CNJNGVXKMNUNSZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50127917; PubChem:CID53730255
|
Local ready
Direct docking supported
|
|
E3L046226
BDB046226
|
BDBM50127918
CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C34H34N2O7S2 646.787000 |
HWZDKQMLMHWFAX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50127918; PubChem:CID91486963
|
Local ready
Direct docking supported
|
|
E3L046227
BDB046227
|
BDBM50127919
CCCc1cc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C28H30N2O7S2 570.689000 |
VPTAHVMPJGDDSU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127919; PubChem:CID91932571
|
Local ready
Direct docking supported
|
|
E3L046228
BDB046228
|
BDBM50127920
CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C27H26ClNO5S 512.027000 |
FPGCMMLMDOZOTO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127920; PubChem:CID53811290
|
Local ready
Direct docking supported
|
|
E3L046229
BDB046229
|
BDBM50127921
CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C28H29NO6S 507.608000 |
ZOSGNYIRHSMRLO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127921; PubChem:CID91932572
|
Local ready
Direct docking supported
|
|
E3L046230
BDB046230
|
BDBM50127922
CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C28H29NO5S 491.609000 |
DMHAICNUIKROFD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127922; PubChem:CID53767505
|
Local ready
Direct docking supported
|
|
E3L046231
BDB046231
|
BDBM50127923
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1CCC
|
C30H33NO5S 519.663000 |
GICQWVTZCNYAPH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127923; PubChem:CID53839559
|
Local ready
Direct docking supported
|
|
E3L046232
BDB046232
|
BDBM50127924
CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C28H29NO7S2 555.674000 |
WRZHWJIGRKKWNB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127924; PubChem:CID91318295
|
Local ready
Direct docking supported
|
|
E3L046233
BDB046233
|
BDBM50127925
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1C
|
C28H29NO5S 491.609000 |
CTZLMMJSKLKVAF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127925; PubChem:CID91932573
|
Local ready
Direct docking supported
|
|
E3L046234
BDB046234
|
BDBM50127926
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1Cl
|
C27H26ClNO5S 512.027000 |
DMVBZCZXSQAMQH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127926; PubChem:CID53768267
|
Local ready
Direct docking supported
|
|
E3L046235
BDB046235
|
BDBM50127927
CCCc1cc(Oc2ccc(C)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C28H29NO5S 491.609000 |
JTTJXBWUVGXNSZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50127927; PubChem:CID53974219
|
Local ready
Direct docking supported
|
|
E3L046236
BDB046236
|
BDBM50127928
CC(C)Cc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C28H29NO5S 491.609000 |
UHJLTIUQUBKHOR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50127928; PubChem:CID91932574
|
Local ready
Direct docking supported
|
|
E3L046237
BDB046237
|
BDBM50127929
CCCc1cc(Oc2ccc(C(F)(F)F)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C28H26F3NO5S 545.579000 |
RIGZUHKYCKQAFT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127929; PubChem:CID91932575
|
Local ready
Direct docking supported
|
|
E3L046238
BDB046238
|
BDBM50127930
CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C32H35NO5S 545.701000 |
XLFIMPFGRCWOPJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127930; PubChem:CID91932576
|
Local ready
Direct docking supported
|
|
E3L046239
BDB046239
|
BDBM50127931
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C27H27NO5S 477.582000 |
JJPPPGMLVBQFHP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50127931; PubChem:CID53958985
|
Local ready
Direct docking supported
|
|
E3L046240
BDB046240
|
BDBM50127932
CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(-c2sc(=O)[nH]c2O)cc1
|
C31H35NO5S 533.690000 |
DASZQHIRDZEXEH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50127932; PubChem:CID53750465
|
Local ready
Direct docking supported
|