| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044601
BDB044601
|
BDBM50028453
O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)c(F)c2)c1
|
C22H14F4N2O4 446.356000 |
NLRPQUKGZAIETL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028453; PubChem:CID118714603
|
Local ready
Direct docking supported
|
|
E3L044602
BDB044602
|
BDBM50028462
CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CC(=O)O)c2)cc1
|
C26H26N2O4 430.504000 |
DLWLWMCCGRKQJV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028462; PubChem:CID118714624
|
Local ready
Direct docking supported
|
|
E3L044603
BDB044603
|
BDBM50028463
CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(CCC(=O)O)c2)cc1
|
C27H28N2O4 444.531000 |
FPIGUABINNVQAW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028463; PubChem:CID118714625
|
Local ready
Direct docking supported
|
|
E3L044604
BDB044604
|
BDBM50028464
Cc1c(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cccc1C(=O)O
|
C26H26N2O4 430.504000 |
CFMBCSJMPLNAPY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028464; PubChem:CID118714626
|
Local ready
Direct docking supported
|
|
E3L044605
BDB044605
|
BDBM50028465
COc1ccc(C(=O)O)cc1NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1
|
C26H26N2O5 446.503000 |
NQTARZJORXXDGG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028465; PubChem:CID118714627
|
Local ready
Direct docking supported
|
|
E3L044606
BDB044606
|
BDBM50028466
CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C(=O)O)ccc2F)cc1
|
C25H23FN2O4 434.467000 |
UACVXKJQZHLBSB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028466; PubChem:CID118714628
|
Local ready
Direct docking supported
|
|
E3L044607
BDB044607
|
BDBM50028467
CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1
|
C25H23ClN2O4 450.922000 |
TUCBMPCHOGAYJH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028467; PubChem:CID118714629
|
Local ready
Direct docking supported
|
|
E3L044608
BDB044608
|
BDBM50028468
Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)O
|
C26H26N2O4 430.504000 |
HYEZSXAYSUJOCJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028468; PubChem:CID101896435
|
Local ready
Direct docking supported
|
|
E3L044609
BDB044609
|
BDBM50028469
COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)O
|
C26H26N2O5 446.503000 |
YWGAXYKSJZMNOV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028469; PubChem:CID118714630
|
Local ready
Direct docking supported
|
|
E3L044610
BDB044610
|
BDBM50028470
CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1
|
C25H23ClN2O4 450.922000 |
CWYXAKQSDNOGEN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50028470; PubChem:CID118714631
|
Local ready
Direct docking supported
|
|
E3L044611
BDB044611
|
BDBM50028471
CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)c(C(=O)O)c2)cc1
|
C25H23BrN2O4 495.373000 |
SVYUAFUWPNVZBK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028471; PubChem:CID118714632
|
Local ready
Direct docking supported
|
|
E3L044612
BDB044612
|
BDBM50028472
CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)ccc2C(=O)Nc2cccc(C(=O)O)c2)cc1
|
C25H23ClN2O4 450.922000 |
VEDWUOLNZCDPKO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028472; PubChem:CID118714637
|
Local ready
Direct docking supported
|
|
E3L044613
BDB044613
|
BDBM50028478
CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2cccc(C(=O)O)c2)cc1
|
C25H23ClN2O4 450.922000 |
RXGNMJMSYCSRAM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50028478; PubChem:CID118714636
|
Local ready
Direct docking supported
|
|
E3L044614
BDB044614
|
BDBM50028489
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)Cc1ccccc1)C(C)C
|
C30H41N3O6 539.673000 |
AWIHJRBIFNJYKC-CQJMVLFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028489; PubChem:CID90663501
|
Local ready
Direct docking supported
|
|
E3L044615
BDB044615
|
BDBM50028491
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)C(C)C)C(C)C
|
C26H41N3O6 491.629000 |
PSHMHCYCCLTPFH-CMOCDZPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028491; PubChem:CID73350150
|
Local ready
Direct docking supported
|
|
E3L044616
BDB044616
|
BDBM50028493
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)CC(C)C)C(C)C
|
C27H43N3O6 505.656000 |
HTBYANKKRDNHDQ-MLCQCVOFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028493; PubChem:CID73345715
|
Local ready
Direct docking supported
|
|
E3L044617
BDB044617
|
BDBM50028494
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1)C(C)C
|
C29H39N3O6 525.646000 |
KVZPLKIEMGSADO-QORCZRPOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028494; PubChem:CID90663499
|
Local ready
Direct docking supported
|
|
E3L044618
BDB044618
|
BDBM50028495
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](O)c1ccccc1)C(C)C
|
C29H39N3O6 525.646000 |
KVZPLKIEMGSADO-OJJQZRKESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028495; PubChem:CID90663498
|
Local ready
Direct docking supported
|
|
E3L044619
BDB044619
|
BDBM50028527
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CC(C)C)C(C)C
|
C22H35N3O5 421.538000 |
SNBUAFNIUOIFRG-VJANTYMQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028527; PubChem:CID44370882
|
Local ready
Direct docking supported
|
|
E3L044620
BDB044620
|
H-bAla(2R-OH,3S-iBu)-Val-Phe-OMe
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](N)CC(C)C)C(C)C
|
C22H35N3O5 421.538000 |
SNBUAFNIUOIFRG-CADBVGFASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50028528; PubChem:CID44370946
|
Local ready
Direct docking supported
|