| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054361
BDB054361
|
BDBM50373914
Cc1oc(-c2ccc(Cl)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1
|
C20H24ClNO5 393.867000 |
YVZGBQZOQTXCAU-LDTOLXSISA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373914
|
Local ready
Direct docking supported
|
|
E3L054362
BDB054362
|
BDBM50373915
Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)s2)cc1
|
C21H27NO4S 389.517000 |
RSMDTYFYMJISKA-NBEIKUQISA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373915
|
Local ready
Direct docking supported
|
|
E3L054363
BDB054363
|
BDBM50373916
Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C(F)(F)F)o2)cc1
|
C21H24F3NO5 427.419000 |
NWEZZBGHDOYLJT-LDTOLXSISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50373916
|
Local ready
Direct docking supported
|
|
E3L054364
BDB054364
|
BDBM50373917
CCc1oc(-c2ccc(C)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1
|
C22H29NO5 387.476000 |
YUNKXIVAULWGSR-MIRVZWSXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50373917
|
Local ready
Direct docking supported
|
|
E3L054365
BDB054365
|
BDBM50374776
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)no2)ccc1OCC(=O)O
|
C20H16F3NO4S 423.412000 |
GDYUMLCDKLRQLB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374776; PubChem:CID22229253
|
Local ready
Direct docking supported
|
|
E3L054366
BDB054366
|
BDBM50374777
Cc1cc(SCc2csnc2-c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)O
|
C20H16F3NO3S2 439.480000 |
HXACRUNQCCKYND-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374777; PubChem:CID22229269
|
Local ready
Direct docking supported
|
|
E3L054367
BDB054367
|
BDBM50374778
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OCC(=O)O
|
C20H16F3NO3S2 439.480000 |
HOIIBNGMJAAGQQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374778; PubChem:CID22229300
|
Local ready
Direct docking supported
|
|
E3L054368
BDB054368
|
BDBM50374779
Cc1cc(SCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC1(C(=O)O)CCCC1
|
C22H20Cl2N2O3S2 495.453000 |
WPEUTERXVLVBJD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374779; PubChem:CID11306495
|
Local ready
Direct docking supported
|
|
E3L054369
BDB054369
|
BDBM50374780
CC(Oc1ccc(SCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)cc1)C(=O)O
|
C19H15F3N2O3S2 440.468000 |
BVPASOJHNPNCCC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50374780; PubChem:CID44451190
|
Local ready
Direct docking supported
|
|
E3L054370
BDB054370
|
BDBM50374781
Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1Cl
|
C21H21ClN2O4S 432.929000 |
UXEPVZPDCHIGDL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50374781; PubChem:CID22229249
|
Local ready
Direct docking supported
|
|
E3L054371
BDB054371
|
BDBM50374782
Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1C
|
C22H24N2O4S 412.511000 |
WBEUFVNHMSNWDT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50374782; PubChem:CID22229292
|
Local ready
Direct docking supported
|
|
E3L054372
BDB054372
|
BDBM50374783
Cc1cc(OCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O
|
C20H18Cl2N2O4S 453.347000 |
MXHMPCCXYYUBRL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50374783; PubChem:CID11442379
|
Local ready
Direct docking supported
|
|
E3L054373
BDB054373
|
BDBM50374784
Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O
|
C21H18ClF3N2O5S 502.898000 |
MJILFCJFAXMPDJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374784; PubChem:CID11225851
|
Local ready
Direct docking supported
|
|
E3L054374
BDB054374
|
BDBM50374785
Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)c(F)c3)ns2)ccc1OC(C)(C)C(=O)O
|
C21H18F4N2O4S 470.444000 |
CDJKDOSGYKWWNE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374785; PubChem:CID22229323
|
Local ready
Direct docking supported
|
|
E3L054375
BDB054375
|
BDBM50374786
Cc1cc(SCCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O
|
C21H20Cl2N2O3S2 483.442000 |
XUVDMXADPOOBLU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50374786; PubChem:CID22229246
|
Local ready
Direct docking supported
|
|
E3L054376
BDB054376
|
BDBM50374787
Cc1cc(SCCc2nc(-c3ccc(C(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)O
|
C22H21F3N2O3S2 482.549000 |
OMEMFMWVEOSCFL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50374787; PubChem:CID11431625
|
Local ready
Direct docking supported
|
|
E3L054377
BDB054377
|
BDBM50374788
Cc1cc(SCc2nsc(-c3ccc(Cl)c(Cl)c3)n2)ccc1OC(C)(C)C(=O)O
|
C20H18Cl2N2O3S2 469.415000 |
CNVRDVOBJOCIQM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374788; PubChem:CID22229258
|
Local ready
Direct docking supported
|
|
E3L054378
BDB054378
|
BDBM50374789
Cc1cc(SCc2nsc(-c3ccc(Cl)cc3)n2)ccc1OC(C)(C)C(=O)O
|
C20H19ClN2O3S2 434.970000 |
NBVHBGMDNBBQCN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374789; PubChem:CID11293459
|
Local ready
Direct docking supported
|
|
E3L054379
BDB054379
|
BDBM50374790
Cc1ccc(-c2nsc(CSc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1C
|
C22H24N2O3S2 428.579000 |
BIEZLHAQUMPLCK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50374790; PubChem:CID11281802
|
Local ready
Direct docking supported
|
|
E3L054380
BDB054380
|
BDBM50374791
Cc1cc(SCc2nc(-c3ccc(Cl)cc3Cl)ns2)ccc1OC(C)(C)C(=O)O
|
C20H18Cl2N2O3S2 469.415000 |
QDHGUQJAWFDXPA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50374791; PubChem:CID11317347
|
Local ready
Direct docking supported
|