| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048181
BDB048181
|
BDBM50195454
Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(C(=O)OC3CCCCC3)ccc2N2CCN(C)CC2)c1Cl
|
C26H30ClFN4O5 533.000000 |
NTIQYFYUMZEOGI-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50195454; PubChem:CID134137047
|
Local ready
Direct docking supported
|
|
E3L048182
BDB048182
|
BDBM50195455
Cc1c(F)ccc(C(=O)Nc2cc(C(=O)Oc3ccccc3)ccc2N2CCN(C)CC2)c1Cl
|
C26H25ClFN3O3 481.955000 |
FNEAREWNQVQFAL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50195455; PubChem:CID134143014
|
Local ready
Direct docking supported
|
|
E3L048183
BDB048183
|
BDBM50195699
CCCOC(=O)N1CCc2c(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)ccc(CCC(=O)O)c2C1
|
C34H36N2O6 568.670000 |
LLUZQFNWHGWRKI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195699; PubChem:CID11421714
|
Local ready
Direct docking supported
|
|
E3L048184
BDB048184
|
BDBM50195702
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1
|
C32H34N2O6 542.632000 |
QLZAMMQCUXFOTM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195702; PubChem:CID10143678
|
Local ready
Direct docking supported
|
|
E3L048185
BDB048185
|
BDBM50195703
C#CCOC(=O)N1CCc2c(OCCc3nc(-c4ccccc4)oc3C)ccc(CCC(=O)O)c2C1
|
C28H28N2O6 488.540000 |
KZTWWKBUXGHLOG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195703; PubChem:CID44420565
|
Local ready
Direct docking supported
|
|
E3L048186
BDB048186
|
BDBM50195704
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c2c1CCN(C(=O)OCC(C)C)C2
|
C29H34N2O6 506.599000 |
ZGYKSGFEFIEJCW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195704; PubChem:CID44420566
|
Local ready
Direct docking supported
|
|
E3L048187
BDB048187
|
BDBM50195705
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c2c1CCN(C(=O)OCC(C)(C)C)C2
|
C36H40N2O6 596.724000 |
JYMSZNJYYIGFPC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195705; PubChem:CID44420402
|
Local ready
Direct docking supported
|
|
E3L048188
BDB048188
|
BDBM50195706
CCCOC(=O)N1CCc2c(OCCc3nc(-c4ccccc4)oc3C)ccc(CCC(=O)O)c2C1
|
C28H32N2O6 492.572000 |
WVKGGZXCUUYLIT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195706; PubChem:CID11317867
|
Local ready
Direct docking supported
|
|
E3L048189
BDB048189
|
BDBM50195707
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNS(=O)(=O)Cc2ccccc2)c1
|
C29H30N2O6S 534.634000 |
AFMUUVLVLJLAEP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195707; PubChem:CID44420484
|
Local ready
Direct docking supported
|
|
E3L048190
BDB048190
|
BDBM50195708
Cc1sc(N2CCOCC2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1
|
C24H33N3O6S 491.610000 |
IACIAFCVQNZHDL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195708; PubChem:CID9805639
|
Local ready
Direct docking supported
|
|
E3L048191
BDB048191
|
BDBM50195709
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)NCc2ccccc2)c1
|
C30H31N3O5 513.594000 |
NNNRPKMCCBNBJH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195709; PubChem:CID44420473
|
Local ready
Direct docking supported
|
|
E3L048192
BDB048192
|
BDBM50195710
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OCc2ccccc2)c1
|
C30H30N2O6 514.578000 |
FUTRFISBYXLQDO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195710; PubChem:CID17984540
|
Local ready
Direct docking supported
|
|
E3L048193
BDB048193
|
BDBM50195711
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)Oc2cnccn2)c1
|
C27H26N4O6 502.527000 |
CASKZOPCCIBBBW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195711; PubChem:CID44420506
|
Local ready
Direct docking supported
|
|
E3L048194
BDB048194
|
BDBM50195712
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)CCc2ccccc2)c1
|
C31H32N2O5 512.606000 |
GWVGBNLWVXZVGV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195712; PubChem:CID44420479
|
Local ready
Direct docking supported
|
|
E3L048195
BDB048195
|
BDBM50195713
Cc1oc(-c2ccc(-c3ncccn3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1
|
C30H32N4O6 544.608000 |
NTXHMSZOGJFPTJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195713; PubChem:CID10119824
|
Local ready
Direct docking supported
|
|
E3L048196
BDB048196
|
BDBM50195714
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1
|
C26H30N2O6 466.534000 |
QDTHAXJGRDPCSZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50195714; PubChem:CID10205220
|
Local ready
Direct docking supported
|
|
E3L048197
BDB048197
|
BDBM50195715
Cc1oc(-c2ccc(Oc3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)OC(C)C)c1
|
C32H34N2O7 558.631000 |
MAINKGNWZLMMRF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195715; PubChem:CID10144243
|
Local ready
Direct docking supported
|
|
E3L048198
BDB048198
|
BDBM50195716
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CCC(=O)O)c(CNC(=O)Oc2cnccn2)c1
|
C33H30N4O6 578.625000 |
VATCVNIKAWMLQK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50195716; PubChem:CID44420485
|
Local ready
Direct docking supported
|
|
E3L048199
BDB048199
|
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:BDBM50195780; PubChem:CID44554894
|
Local ready
Direct docking supported
|
|
E3L048200
BDB048200
|
BDBM50195781
COC(=O)[C@@H]1CNC[C@H](N(CC(C)C)C(=O)c2cnc(C(C)(C)C)nc2NCc2ccco2)C1
|
C25H37N5O4 471.602000 |
XWKPQIHEQDPCKK-ZWKOTPCHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50195781; PubChem:CID59625516
|
Local ready
Direct docking supported
|