| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056441
BDB056441
|
BDBM50443812
CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@@H]2Cc3ccccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C34H45N5O4 587.765000 |
TYXHMZBEDPKUQY-HDFVOGAFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50443812
|
Local ready
Direct docking supported
|
|
E3L056442
BDB056442
|
BDBM50443813
CC[C@H](NC)C(=O)N[C@H](C(=O)N1C[C@H]2Cc3ccccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C34H45N5O4 587.765000 |
TYXHMZBEDPKUQY-PCWYLRNLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50443813
|
Local ready
Direct docking supported
|
|
E3L056443
BDB056443
|
BDBM50443814
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2Cc3ccccc3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C33H43N5O4 573.738000 |
FIXMENDEDQBFFM-LJHQKEROSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50443814
|
Local ready
Direct docking supported
|
|
E3L056444
BDB056444
|
BDBM50443815
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(C)s2)n1)C(=O)O
|
C22H25ClN4O2S2 477.055000 |
CKKWYHLKASEGLQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443815; PubChem:CID72735417
|
Local ready
Direct docking supported
|
|
E3L056445
BDB056445
|
BDBM50443822
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc4c(c3)CCCC4)cs2)n1)C(=O)O
|
C25H29ClN4O2S2 517.120000 |
VHDYUNNUMXSWAO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443822; PubChem:CID72735239
|
Local ready
Direct docking supported
|
|
E3L056446
BDB056446
|
BDBM50443823
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n1)C(=O)O
|
C21H22ClN5O4S2 508.025000 |
WHPKZOOGSDASKG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50443823; PubChem:CID72735238
|
Local ready
Direct docking supported
|
|
E3L056447
BDB056447
|
BDBM50443824
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(F)cc3F)cs2)n1)C(=O)O
|
C21H21ClF2N4O2S2 499.008000 |
JFBGJEBGHJREEF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443824; PubChem:CID72735237
|
Local ready
Direct docking supported
|
|
E3L056448
BDB056448
|
BDBM50443825
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(F)c(F)c3)cs2)n1)C(=O)O
|
C21H21ClF2N4O2S2 499.008000 |
NBDVIFBREKXVQT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443825; PubChem:CID72735057
|
Local ready
Direct docking supported
|
|
E3L056449
BDB056449
|
Pirinixic Acid Aminothiazole
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc4ccccc4c3)cs2)n1)C(=O)O
|
C25H25ClN4O2S2 513.088000 |
BADFIDKPYNKNRT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443828; PubChem:CID72735056
|
Local ready
Direct docking supported
|
|
E3L056450
BDB056450
|
BDBM50443831
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(C)cc3)cs2)n1)C(=O)O
|
C22H25ClN4O2S2 477.055000 |
PJVMDPJTOXZKKL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443831; PubChem:CID72735053
|
Local ready
Direct docking supported
|
|
E3L056451
BDB056451
|
BDBM50443832
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)cs2)n1)C(=O)O
|
C21H23ClN4O2S2 463.028000 |
YJPASFGBZHPHCG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443832; PubChem:CID72735052
|
Local ready
Direct docking supported
|
|
E3L056452
BDB056452
|
BDBM50443836
CCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)C(=O)O
|
C17H14Cl2N4O2S2 441.365000 |
LCLBMLWDCVQHCX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50443836; PubChem:CID72734876
|
Local ready
Direct docking supported
|
|
E3L056453
BDB056453
|
BDBM50443837
CCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)C(=O)O
|
C19H18Cl2N4O2S2 469.419000 |
HPJALSYEFMQTCL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50443837; PubChem:CID72734875
|
Local ready
Direct docking supported
|
|
E3L056454
BDB056454
|
BDBM50443838
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)C(=O)O
|
C21H22Cl2N4O2S2 497.473000 |
XTFGRKCWJGQLHL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50443838; PubChem:CID72734874
|
Local ready
Direct docking supported
|
|
E3L056455
BDB056455
|
BDBM50443839
CCCCCCC(Sc1nc(Cl)cc(Nc2nc3c(s2)CCc2cc(OC)ccc2-3)n1)C(=O)O
|
C24H27ClN4O3S2 519.092000 |
HXVCFWQPVFGPII-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50443839; PubChem:CID72735591
|
Local ready
Direct docking supported
|
|
E3L056456
BDB056456
|
BDBM50443842
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1)C(=O)O
|
C22H24BrClN4O2S2 555.951000 |
STHHWRMRUPLWFM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50443842; PubChem:CID72735418
|
Local ready
Direct docking supported
|
|
E3L056457
BDB056457
|
BDBM50444027
COC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
|
C21H21N3O4 379.416000 |
VBHDTUSGPSUCNL-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50444027; PubChem:CID135566846
|
Local ready
Direct docking supported
|
|
E3L056458
BDB056458
|
BDBM50444028
NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
|
C20H20N4O3 364.405000 |
IUZKJSCTIFAMLT-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50444028; PubChem:CID136249352
|
Local ready
Direct docking supported
|
|
E3L056459
BDB056459
|
BDBM50444029
CC[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
|
C15H19N3O3 289.335000 |
INPZIMSQNZGLHQ-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50444029; PubChem:CID135566845
|
Local ready
Direct docking supported
|
|
E3L056460
BDB056460
|
BDBM50444030
C[C@@H](CO)NC(=O)CCc1nc2ccccc2c(=O)[nH]1
|
C14H17N3O3 275.308000 |
RMEVHSQZUSDSOV-VIFPVBQESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50444030; PubChem:CID136264437
|
Local ready
Direct docking supported
|