| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056781
BDB056781
|
BDBM50450242
Cc1cc(Oc2ccc3nc(COc4ccccc4C#N)n(C)c3c2)cc(C)c1N
|
C24H22N4O2 398.466000 |
UMAGQBSBRBYYQV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450242; PubChem:CID145946513
|
Local ready
Direct docking supported
|
|
E3L056782
BDB056782
|
BDBM50450243
Cc1cc(Oc2ccc3nc(COc4cccc(C#N)c4)n(C)c3c2)cc(C)c1N
|
C24H22N4O2 398.466000 |
GOCCLUBQLHRHFK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450243; PubChem:CID145946855
|
Local ready
Direct docking supported
|
|
E3L056783
BDB056783
|
BDBM50450244
Cc1cc(Oc2ccc3nc(COc4ccc(C#N)cc4)n(C)c3c2)cc(C)c1N
|
C24H22N4O2 398.466000 |
SAEGMGKIJJCOSC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450244; PubChem:CID145946856
|
Local ready
Direct docking supported
|
|
E3L056784
BDB056784
|
BDBM50450245
Cc1cc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc(C)c1N
|
C24H23N3O4 417.465000 |
XKLWHFGCLGJBOU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450245; PubChem:CID68661683
|
Local ready
Direct docking supported
|
|
E3L056785
BDB056785
|
BDBM50450246
Cc1cc(Oc2ccc3nc(COc4ccc(C(=O)O)cc4)n(C)c3c2)cc(C)c1N
|
C24H23N3O4 417.465000 |
KTFVDXKHPUPKDE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450246; PubChem:CID68661691
|
Local ready
Direct docking supported
|
|
E3L056786
BDB056786
|
BDBM50450247
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3)cc21
|
C22H18N2O4 374.396000 |
OJGBFPBXVNOOOR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450247; PubChem:CID68661772
|
Local ready
Direct docking supported
|
|
E3L056787
BDB056787
|
BDBM50450248
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cccc(Cl)c3)cc21
|
C22H17ClN2O4 408.841000 |
IXMJJGAOPLWQOP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450248; PubChem:CID25115279
|
Local ready
Direct docking supported
|
|
E3L056788
BDB056788
|
BDBM50450249
Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)cc1F
|
C23H19FN2O4 406.413000 |
VMJJTYROZWSNFN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50450249; PubChem:CID68662136
|
Local ready
Direct docking supported
|
|
E3L056789
BDB056789
|
BDBM50450250
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3cc(F)cc(Cl)c3)cc21
|
C22H16ClFN2O4 426.831000 |
MHEYPAGTECIVME-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450250; PubChem:CID68661809
|
Local ready
Direct docking supported
|
|
E3L056790
BDB056790
|
BDBM50450251
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc4c(c3)OCC4)cc21
|
C24H20N2O5 416.433000 |
MAARTLAEHFIPPW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450251; PubChem:CID46213107
|
Local ready
Direct docking supported
|
|
E3L056791
BDB056791
|
BDBM50450252
CC(=O)c1ccc(OCc2nc3ccc(Oc4cc(C)c(N)c(C)c4)cc3n2C)cc1
|
C25H25N3O3 415.493000 |
CCUBWAHFKGZTSQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450252; PubChem:CID145948048
|
Local ready
Direct docking supported
|
|
E3L056792
BDB056792
|
BDBM50450253
Cc1cc(Oc2ccc3nc(COc4ccccc4C(=O)O)n(C)c3c2)cc(C)c1N
|
C24H23N3O4 417.465000 |
YZKHGHNZMSSDGD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450253; PubChem:CID68662594
|
Local ready
Direct docking supported
|
|
E3L056793
BDB056793
|
BDBM50451311
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)C3CCNCC3)C2)c1
|
C31H42FN3O4 539.692000 |
DXYLBNWMGGPYGS-KZQYXEPFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451311; PubChem:CID145963953
|
Local ready
Direct docking supported
|
|
E3L056794
BDB056794
|
BDBM50451312
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)NCCN)C2)c1
|
C28H39FN4O4 514.642000 |
HCLJRDWLGZOWIM-WZOMIXFGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451312; PubChem:CID59620426
|
Local ready
Direct docking supported
|
|
E3L056795
BDB056795
|
BDBM50451313
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@H](N)C(=O)OC)C2)c1
|
C31H42FN3O6 571.690000 |
UWTPQSLKZKEZLQ-ZQMDHAFISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451313; PubChem:CID145966339
|
Local ready
Direct docking supported
|
|
E3L056796
BDB056796
|
BDBM50451314
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCNC)C2)c1
|
C30H42FN3O4 527.681000 |
ZTHQDSYJEPZECE-DDAUYOFQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451314; PubChem:CID59620419
|
Local ready
Direct docking supported
|
|
E3L056797
BDB056797
|
BDBM50451315
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CN)C2)c1
|
C27H36FN3O4 485.600000 |
XSLPETVYZIAHCY-XJQHNOHDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451315; PubChem:CID145963814
|
Local ready
Direct docking supported
|
|
E3L056798
BDB056798
|
BDBM50451316
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@H](N)CO)C2)c1
|
C30H42FN3O5 543.680000 |
JNWFRGOWDLWQQW-JRHAALFUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451316; PubChem:CID145978346
|
Local ready
Direct docking supported
|
|
E3L056799
BDB056799
|
BDBM50451317
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCNCCO)C2)c1
|
C31H44FN3O5 557.707000 |
BBFVVIHNSIAIKK-KZQYXEPFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451317; PubChem:CID59620457
|
Local ready
Direct docking supported
|
|
E3L056800
BDB056800
|
BDBM50451318
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC3CNCCO3)C2)c1
|
C31H42FN3O5 555.691000 |
NHTHNSRKHIXMKL-BNDRHBIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451318; PubChem:CID59563537
|
Local ready
Direct docking supported
|