| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055161
BDB055161
|
BDBM50401995
CC(C)(Oc1ccc(CCCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C27H28O4 416.517000 |
KAVOGEVLUYEMMM-ZHACJKMWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50401995; PubChem:CID71459496
|
Local ready
Direct docking supported
|
|
E3L055162
BDB055162
|
BDBM50401996
CC(C)(Oc1ccc(COc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C25H24O4 388.463000 |
KTRWPQTZGJZZRS-CMDGGOBGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50401996; PubChem:CID71454077
|
Local ready
Direct docking supported
|
|
E3L055163
BDB055163
|
BDBM50401997
CC(C)(Oc1ccc(CCCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C25H26O5 406.478000 |
CCMXOJVKRSVMCK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50401997; PubChem:CID71461230
|
Local ready
Direct docking supported
|
|
E3L055164
BDB055164
|
BDBM50401998
CC(C)(Oc1ccc(CCOc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C24H24O5 392.451000 |
SZSMUACRRUJGKP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50401998; PubChem:CID71455810
|
Local ready
Direct docking supported
|
|
E3L055165
BDB055165
|
BDBM50401999
CC(C)(Oc1ccc(COc2ccc(Oc3ccccc3)cc2)cc1)C(=O)O
|
C23H22O5 378.424000 |
XKRVKDITBMJKRZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50401999; PubChem:CID71452276
|
Local ready
Direct docking supported
|
|
E3L055166
BDB055166
|
BDBM50402000
CC(C)(Oc1ccc(CCCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O
|
C26H26O5 418.489000 |
XXMCSZSORHXNST-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50402000; PubChem:CID71450447
|
Local ready
Direct docking supported
|
|
E3L055167
BDB055167
|
BDBM50402001
CC(C)(Oc1ccc(CCOc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O
|
C25H24O5 404.462000 |
XDQCXGIQDHMEQA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50402001; PubChem:CID71459495
|
Local ready
Direct docking supported
|
|
E3L055168
BDB055168
|
BDBM50402002
CC(C)(Oc1ccc(COc2ccc(C(=O)c3ccccc3)cc2)cc1)C(=O)O
|
C24H22O5 390.435000 |
BTZOLPOBEGTORZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50402002; PubChem:CID71461229
|
Local ready
Direct docking supported
|
|
E3L055169
BDB055169
|
BDBM50402003
CC(C)(Oc1ccc(CCCOc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C28H28O5 444.527000 |
KZPLJPWJYILVEI-XDHOZWIPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50402003; PubChem:CID71450449
|
Local ready
Direct docking supported
|
|
E3L055170
BDB055170
|
BDBM50402004
CC(C)(Oc1ccc(CCOc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C27H26O5 430.500000 |
DYZWQRFFNWBPHH-LICLKQGHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50402004; PubChem:CID71455811
|
Local ready
Direct docking supported
|
|
E3L055171
BDB055171
|
BDBM50402005
CC(C)(Oc1ccc(CCOc2ccc(/C=C/c3ccccc3)cc2)cc1)C(=O)O
|
C26H26O4 402.490000 |
CVNHNZXQBIXIMK-CMDGGOBGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50402005; PubChem:CID71461231
|
Local ready
Direct docking supported
|
|
E3L055172
BDB055172
|
2-[4-(3-Hydroxypropyl)phenoxy]-2-methylpropanoic acid
CC(C)(Oc1ccc(CCCO)cc1)C(=O)O
|
C13H18O4 238.283000 |
GNZJOMSLCZXFLM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50402006; PubChem:CID68809763
|
Local ready
Direct docking supported
|
|
E3L055173
BDB055173
|
2-[4-(2-Hydroxyethyl)phenoxy]-2-methylpropanoic acid
CC(C)(Oc1ccc(CCO)cc1)C(=O)O
|
C12H16O4 224.256000 |
FXJUEABMXGETGQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50402007; PubChem:CID68811733
|
Local ready
Direct docking supported
|
|
E3L055174
BDB055174
|
BDBM50402217
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1cccnc1
|
C28H38ClN5O2 512.098000 |
CDNIJGHQQWHBDO-WMTXJRDZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50402217; PubChem:CID69918387
|
Local ready
Direct docking supported
|
|
E3L055175
BDB055175
|
BDBM50402218
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)C(=O)N(C)C
|
C26H40ClN5O3 506.091000 |
DYUXTUMLAFJFSB-QKNQBKEWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50402218; PubChem:CID71461234
|
Local ready
Direct docking supported
|
|
E3L055176
BDB055176
|
BDBM50402219
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1
|
C26H41ClN4O3 493.092000 |
MGHQYBRCQLTBRN-PWRODBHTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50402219; PubChem:CID50914146
|
Local ready
Direct docking supported
|
|
E3L055177
BDB055177
|
BDBM50402220
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)C(O)C(C)C
|
C27H43ClN4O3 507.119000 |
KYNWHGSYDIIYLJ-OQRBISNSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50402220; PubChem:CID71452222
|
Local ready
Direct docking supported
|
|
E3L055178
BDB055178
|
BDBM50402221
CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1
|
C29H39ClN4O2 511.110000 |
APQOQMCZLMJHQS-JBRSBNLGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50402221; PubChem:CID50914305
|
Local ready
Direct docking supported
|
|
E3L055179
BDB055179
|
BDBM50402222
CCC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1
|
C28H37ClN4O2 497.083000 |
QTCUEFWORJZGFQ-WMTXJRDZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50402222; PubChem:CID71462971
|
Local ready
Direct docking supported
|
|
E3L055180
BDB055180
|
BDBM50402223
CC[C@@H](NC(=O)[C@@H]1CNC[C@H](N2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1)c1ccccc1
|
C27H35ClN4O2 483.056000 |
WJJCDKOVFNHWKQ-QZNHQXDQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50402223; PubChem:CID50914303
|
Local ready
Direct docking supported
|