| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050621
BDB050621
|
BDBM50273031
O=C(O)CC1=C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21
|
C22H14F2O2 348.348000 |
SPRHRBGCDSYOLX-NTEUORMPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273031; PubChem:CID25034411
|
Local ready
Direct docking supported
|
|
E3L050622
BDB050622
|
BDBM50273054
CCC(Cc1cc(CNC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)cc1F)C(=O)O
|
C30H36FNO4 493.619000 |
ZYTAJJSXWKDKGN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273054; PubChem:CID44587736
|
Local ready
Direct docking supported
|
|
E3L050623
BDB050623
|
BDBM50273055
CCOc1cc(F)c(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C31H38FNO4 507.646000 |
KGCCMHIRXXLQQG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273055; PubChem:CID44587737
|
Local ready
Direct docking supported
|
|
E3L050624
BDB050624
|
BDBM50273056
CCCOc1cc(F)c(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
|
C32H40FNO4 521.673000 |
FKIJWNBDEWMSDE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273056; PubChem:CID44587738
|
Local ready
Direct docking supported
|
|
E3L050625
BDB050625
|
BDBM50273064
O=C(O)CC1=C/C(=C\c2cccc3cccnc23)c2ccc(F)cc21
|
C21H14FNO2 331.346000 |
ANXRVYJLEQFMNW-OQLLNIDSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273064; PubChem:CID25034412
|
Local ready
Direct docking supported
|
|
E3L050626
BDB050626
|
BDBM50273065
O=C(O)CC1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21
|
C24H17FO2 356.396000 |
VJDZAFANKNWYHT-XDHOZWIPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273065; PubChem:CID25034413
|
Local ready
Direct docking supported
|
|
E3L050627
BDB050627
|
BDBM50273066
CSc1ccc(-c2ccc(/C=C3\C=C(CC(=O)O)c4cc(F)ccc43)cc2)cc1
|
C25H19FO2S 402.490000 |
BKQDXUGDZBIWKJ-XDHOZWIPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273066; PubChem:CID25034475
|
Local ready
Direct docking supported
|
|
E3L050628
BDB050628
|
BDBM50273067
O=C(O)CC1=C/C(=C\c2ccc(-c3ccc(F)cc3F)cc2)c2ccc(F)cc21
|
C24H15F3O2 392.376000 |
FTYDPNONWIJALM-CXUHLZMHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273067; PubChem:CID25034476
|
Local ready
Direct docking supported
|
|
E3L050629
BDB050629
|
BDBM50273089
CCOc1cc(F)c(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F
|
C31H37F2NO4 525.636000 |
PPXZIVISQNAYKI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50273089; PubChem:CID44587769
|
Local ready
Direct docking supported
|
|
E3L050630
BDB050630
|
BDBM50273090
CCCOc1cc(F)c(CC(CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F
|
C32H39F2NO4 539.663000 |
XWDWDQGJOOSFCU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50273090; PubChem:CID44587770
|
Local ready
Direct docking supported
|
|
E3L050631
BDB050631
|
BDBM50273091
CCCOc1cc(F)c(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F
|
C32H39F2NO4 539.663000 |
XWDWDQGJOOSFCU-CFVCEQMKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50273091; PubChem:CID25071332
|
Local ready
Direct docking supported
|
|
E3L050632
BDB050632
|
BDBM50273125
CCCOc1cc(F)c(C[C@@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F
|
C32H39F2NO4 539.663000 |
XWDWDQGJOOSFCU-GRPJKQKISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50273125; PubChem:CID44587801
|
Local ready
Direct docking supported
|
|
E3L050633
BDB050633
|
Imarikiren
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21
|
C27H41N5O4 499.656000 |
RHIBAIKQWJNESW-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273160; PubChem:CID44554894
|
Local ready
Direct docking supported
|
|
E3L050634
BDB050634
|
BDBM50273161
CC(C)CN(C(=O)c1nc2ccccc2n1C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C23H33N5O3 427.549000 |
JDLRNZOAUIMJOP-MSOLQXFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273161; PubChem:CID58355480
|
Local ready
Direct docking supported
|
|
E3L050635
BDB050635
|
BDBM50273162
COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(C)(C)O)C2)nc2ccccc21
|
C25H40N4O3 444.620000 |
BWXJQSHHZGLMLF-UXHICEINSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273162; PubChem:CID58355435
|
Local ready
Direct docking supported
|
|
E3L050636
BDB050636
|
BDBM50273163
CCCCCNc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C28H48N6O3 516.731000 |
OBCCQWIGAUDFNW-YADHBBJMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273163; PubChem:CID59625541
|
Local ready
Direct docking supported
|
|
E3L050637
BDB050637
|
BDBM50273169
COCCCCn1nc(-c2ccccc2)cc1C(=O)N(CC(C)C)[C@@H]1CNC[C@H](C(=O)N2CCOCC2)C1
|
C29H43N5O4 525.694000 |
WMQNTTJTRZTXTL-RPBOFIJWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273169; PubChem:CID145960467
|
Local ready
Direct docking supported
|
|
E3L050638
BDB050638
|
BDBM50273170
COCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)ncn1-c1ccccc1
|
C29H43N5O4 525.694000 |
HMVGILOURREGCW-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273170; PubChem:CID58355221
|
Local ready
Direct docking supported
|
|
E3L050639
BDB050639
|
BDBM50273171
COCCCCc1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)cnn1-c1ccccc1
|
C29H43N5O4 525.694000 |
OGFQDQHOSNPXSV-NOZRDPDXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273171; PubChem:CID58355489
|
Local ready
Direct docking supported
|
|
E3L050640
BDB050640
|
BDBM50273172
CCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(=O)N3CCOCC3)C2)nc2ccccc21
|
C24H35N5O3 441.576000 |
JDKXGXZZOJRWPO-MOPGFXCFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50273172; PubChem:CID58355241
|
Local ready
Direct docking supported
|