| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045521
BDB045521
|
BDBM50084669
COc1ccccc1COCCCOc1ccc(C2CCNCC2OCc2cccc3c2NCCC3)cc1
|
C32H40N2O4 516.682000 |
GRMUUYATJYSIHM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50084669; PubChem:CID44342269
|
Local ready
Direct docking supported
|
|
E3L045522
BDB045522
|
BDBM50084688
COc1ccc(C[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1
|
C34H54N6O6 642.842000 |
UGXKCYZOKRDKII-VFFRCKCKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50084688
|
Local ready
Direct docking supported
|
|
E3L045523
BDB045523
|
L-796449
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(-c3ccccc3)coc12
|
C28H27ClO4S 495.040000 |
KAPDPGZDHUCILF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50085040; PubChem:CID9891946
|
Local ready
Direct docking supported
|
|
E3L045524
BDB045524
|
BDBM50085041
CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O
|
C22H26O7 402.443000 |
HBBVCKCCQCQCTJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50085041; PubChem:CID6603901
|
Local ready
Direct docking supported
|
|
E3L045525
BDB045525
|
Fenofibrate
CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
|
C20H21ClO4 360.837000 |
YMTINGFKWWXKFG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50085042; PubChem:CID3339
|
Local ready
Direct docking supported
|
|
E3L045526
BDB045526
|
BDBM50085043
CCOC(Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O
|
C21H24N2O5 384.432000 |
FJENKDXEWRLENI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50085043; PubChem:CID9843045
|
Local ready
Direct docking supported
|
|
E3L045527
BDB045527
|
Farglitazar
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1
|
C34H30N2O5 546.623000 |
ZZCHHVUQYRMYLW-HKBQPEDESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085044; PubChem:CID170364
|
Local ready
Direct docking supported
|
|
E3L045528
BDB045528
|
BDBM50085045
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(Cc3sc(=O)[nH]c3O)cc1)O2
|
C24H27NO5S 441.549000 |
BJWJSFCBOIUATF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085045; PubChem:CID17756782
|
Local ready
Direct docking supported
|
|
E3L045529
BDB045529
|
GW-7845
COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O
|
C29H28N2O6 500.551000 |
KEGOAFNIGUBYHZ-SANMLTNESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50085046; PubChem:CID9870584
|
Local ready
Direct docking supported
|
|
E3L045530
BDB045530
|
Clofibrate
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
|
C12H15ClO3 242.702000 |
KNHUKKLJHYUCFP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085047; PubChem:CID2796
|
Local ready
Direct docking supported
|
|
E3L045531
BDB045531
|
GW 1929
CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1
|
C30H29N3O4 495.579000 |
QTQMRBZOBKYXCG-MHZLTWQESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50085048; PubChem:CID6518171
|
Local ready
Direct docking supported
|
|
E3L045532
BDB045532
|
BDBM50085548
CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
|
C19H19F3O4 368.351000 |
PHBHQFDEPQQVCZ-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085548; PubChem:CID45107476
|
Local ready
Direct docking supported
|
|
E3L045533
BDB045533
|
BDBM50085575
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1cccc(-c2ccccc2)c1
|
C26H24N2O4S 460.555000 |
AGNXICFXNIUICK-MTDXEUNCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085575; PubChem:CID91931258
|
Local ready
Direct docking supported
|
|
E3L045534
BDB045534
|
BDBM50085576
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2cccnc2)cc1
|
C25H23N3O4S 461.543000 |
YVWZSVKZTKJLOZ-OGLMXYFKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085576; PubChem:CID91931259
|
Local ready
Direct docking supported
|
|
E3L045535
BDB045535
|
BDBM50085577
CC/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1
|
C27H26N2O4S 474.582000 |
MXBRCAMKOJDCSJ-RMLRFSFXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085577; PubChem:CID91931260
|
Local ready
Direct docking supported
|
|
E3L045536
BDB045536
|
BDBM50085578
CCC/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1
|
C28H28N2O4S 488.609000 |
OKSTVPCMQIBORU-QCWLDUFUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085578; PubChem:CID91931261
|
Local ready
Direct docking supported
|
|
E3L045537
BDB045537
|
BDBM50085579
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccncc2)cc1
|
C25H23N3O4S 461.543000 |
RAJMKXGKIWJMNI-OGLMXYFKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085579; PubChem:CID91931262
|
Local ready
Direct docking supported
|
|
E3L045538
BDB045538
|
BDBM50085580
C/C(=N\OCCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccc2)cc1
|
C27H26N2O4S 474.582000 |
JTERXYLVGNWBGV-VUTHCHCSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085580; PubChem:CID91931263
|
Local ready
Direct docking supported
|
|
E3L045539
BDB045539
|
BDBM50085581
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(-c2ccccn2)cc1
|
C25H23N3O4S 461.543000 |
PSJZQFYFJDEVQX-OGLMXYFKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085581; PubChem:CID91931264
|
Local ready
Direct docking supported
|
|
E3L045540
BDB045540
|
BDBM50085582
C/C(=N\OCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccc1-c1ccccc1
|
C26H24N2O4S 460.555000 |
GFEXRQZCSSEGCM-MTDXEUNCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50085582; PubChem:CID91931265
|
Local ready
Direct docking supported
|