| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048441
BDB048441
|
BDBM50205092
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2ccc3c(c2)OCO3)cc1
|
C29H28N2O6 500.551000 |
COCLDEIMTMDHQO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50205092; PubChem:CID44441463
|
Local ready
Direct docking supported
|
|
E3L048442
BDB048442
|
BDBM50205198
CCCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C28H30N2O2 426.560000 |
RNPXGHFYTXGGJG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205198; PubChem:CID134151475
|
Local ready
Direct docking supported
|
|
E3L048443
BDB048443
|
2-[4-[(2-Hexylbenzimidazol-1-yl)methyl]phenyl]benzamide
CCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
|
C27H29N3O 411.549000 |
ZHJZIGWITVRSKZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205199; PubChem:CID134152810
|
Local ready
Direct docking supported
|
|
E3L048444
BDB048444
|
2-[4-[(2-Propylindol-1-yl)methyl]phenyl]benzonitrile
CCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1
|
C25H22N2 350.465000 |
RGTRCARSZFHHBX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205227; PubChem:CID134132400
|
Local ready
Direct docking supported
|
|
E3L048445
BDB048445
|
2-[4-[(2-Propylindol-1-yl)methyl]phenyl]benzoic acid
CCCc1cc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C25H23NO2 369.464000 |
BDTRZXXBQVEPAR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205228; PubChem:CID134142790
|
Local ready
Direct docking supported
|
|
E3L048446
BDB048446
|
BDBM50205229
CCCc1nc2ccccc2n1Cc1ccc(-c2ccc(C(=O)O)cc2)cc1
|
C24H22N2O2 370.452000 |
HENIXOFDIHJWSF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205229; PubChem:CID134152589
|
Local ready
Direct docking supported
|
|
E3L048447
BDB048447
|
BDBM50205230
CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C#N)cc1
|
C24H21N3 351.453000 |
OZDOSPJQDNIROW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205230; PubChem:CID19792109
|
Local ready
Direct docking supported
|
|
E3L048448
BDB048448
|
BDBM50205231
CCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
|
C26H27N3O 397.522000 |
JWPSBNWXUVVYAL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205231; PubChem:CID134157295
|
Local ready
Direct docking supported
|
|
E3L048449
BDB048449
|
PPAR|A agonist 3
CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
|
C24H23N3O 369.468000 |
VTPVHUKEMCBVSN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205232; PubChem:CID134138434
|
Local ready
Direct docking supported
|
|
E3L048450
BDB048450
|
BDBM50205240
CCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C26H26N2O2 398.506000 |
FOFRDWFVHUCTTH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205240; PubChem:CID15069292
|
Local ready
Direct docking supported
|
|
E3L048451
BDB048451
|
BDBM50205251
CCCC1Sc2ccccc2N1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C24H23NO2S 389.520000 |
OSHSFFARIRTBTL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205251; PubChem:CID134156986
|
Local ready
Direct docking supported
|
|
E3L048452
BDB048452
|
BDBM50205252
CCCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1
|
C28H31N3O 425.576000 |
XWWHQZCOAQXCNH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205252; PubChem:CID134136024
|
Local ready
Direct docking supported
|
|
E3L048453
BDB048453
|
BDBM50205253
CCCc1nc2ccccc2n1Cc1ccc(-c2cccc(C(=O)O)c2)cc1
|
C24H22N2O2 370.452000 |
VDZUXKOEMHGTFA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205253; PubChem:CID134146881
|
Local ready
Direct docking supported
|
|
E3L048454
BDB048454
|
BDBM50205254
CCCCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C27H28N2O2 412.533000 |
GPWQFFOZVVZGKK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50205254; PubChem:CID134156037
|
Local ready
Direct docking supported
|
|
E3L048455
BDB048455
|
BDBM50205338
CCOc1ccc(S(=O)(=O)Nc2cc(CC(C)=O)c(NS(=O)(=O)c3ccc(OCC)cc3)c3ccccc23)cc1
|
C29H30N2O7S2 582.700000 |
VUIVGOOWLHGDPZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50205338; PubChem:CID119057445
|
Local ready
Direct docking supported
|
|
E3L048456
BDB048456
|
BDBM50205472
O=C1N=C(NCc2cccs2)S/C1=C/c1ccc2ncccc2c1
|
C18H13N3OS2 351.456000 |
XOLMRFUGOINFDQ-MHWRWJLKSA-N | O14965, P51948 | Cyclin-H, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50205472; PubChem:CID135398497
|
Local ready
Direct docking supported
|
|
E3L048457
BDB048457
|
Daphnetin
O=c1ccc2ccc(O)c(O)c2o1
|
C9H6O4 178.143000 |
ATEFPOUAMCWAQS-UHFFFAOYSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50206006; PubChem:CID5280569
|
Local ready
Direct docking supported
|
|
E3L048458
BDB048458
|
BDBM50206390
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NC(=O)c4ccccc4)cc23)c1
|
C24H18N4O4 426.432000 |
XQTNOHIWMHEQIC-QXMHVHEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206390; PubChem:CID134131952
|
Local ready
Direct docking supported
|
|
E3L048459
BDB048459
|
BDBM50206391
COc1ccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4cccc(NC(=O)/C=C\C(=O)O)c4)c3c2)cc1
|
C24H20N4O6S 492.513000 |
GCACJMCPQBNCGG-QXMHVHEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206391; PubChem:CID134136983
|
Local ready
Direct docking supported
|
|
E3L048460
BDB048460
|
BDBM50206392
CCOC(=O)CCC(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C25H24N4O5S 492.557000 |
LHDNLQKQBSMXMU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206392; PubChem:CID134139821
|
Local ready
Direct docking supported
|