| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057721
BDB057721
|
Nrf2 peptide [PMID: 23647822]
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O
|
C86H124N18O28 1858.036000 |
LUWNQRCIIOOCLS-ITDBXDHNSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50492323; PubChem:CID73355065
|
Local ready
Direct docking supported
|
|
E3L057722
BDB057722
|
BDBM50492344
CC(C)N(Cc1ccc(CCC(=O)O)cc1)C(=O)c1cccc(CNC(=O)c2ccccc2)c1
|
C28H30N2O4 458.558000 |
VAMPMUPMUQHHPT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50492344; PubChem:CID71712906
|
Local ready
Direct docking supported
|
|
E3L057723
BDB057723
|
BDBM50492345
CCN(Cc1cccc(C(=O)N(CC)Cc2ccc(CCC(=O)O)cc2)c1)C(=O)c1ccccc1
|
C29H32N2O4 472.585000 |
IAQOOLYXPHJVBK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50492345; PubChem:CID71713038
|
Local ready
Direct docking supported
|
|
E3L057724
BDB057724
|
BDBM50492346
O=C(O)CCc1ccc(CNC(=O)c2cccc(CNC(=O)c3ccccc3)c2)cc1
|
C25H24N2O4 416.477000 |
KOUTZTCUSIBWFB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50492346; PubChem:CID71712902
|
Local ready
Direct docking supported
|
|
E3L057725
BDB057725
|
BDBM50493700
O=C(O)c1ccc(-n2nnnc2SCc2ccccc2Br)cc1
|
C15H11BrN4O2S 391.250000 |
PRYMABSVHCLHPB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50493700; PubChem:CID1389211
|
Local ready
Direct docking supported
|
|
E3L057726
BDB057726
|
BDBM50495091
COC(c1ccc(OC(F)(F)F)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C24H27F3O5 452.469000 |
UCAGRMVIOZVBTK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50495091; PubChem:CID71604423
|
Local ready
Direct docking supported
|
|
E3L057727
BDB057727
|
BDBM50495092
COC(c1ccc(C)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C24H30O4 382.500000 |
VLLRUKNMOWGGDR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50495092; PubChem:CID71616171
|
Local ready
Direct docking supported
|
|
E3L057728
BDB057728
|
BDBM50495093
Cc1cc(C2CC2C(OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)O
|
C30H29F3O6 542.550000 |
MAQRGNLQYZPEBN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50495093; PubChem:CID76321033
|
Local ready
Direct docking supported
|
|
E3L057729
BDB057729
|
BDBM50495094
COC(c1ccc(Br)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C23H27BrO4 447.369000 |
JCHHFNRLYJILLG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50495094; PubChem:CID71616170
|
Local ready
Direct docking supported
|
|
E3L057730
BDB057730
|
BDBM50495095
CCOC(c1ccc(OC(F)(F)F)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C25H29F3O5 466.496000 |
KTDZYEPKUCRGMP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50495095; PubChem:CID71616294
|
Local ready
Direct docking supported
|
|
E3L057731
BDB057731
|
BDBM50495096
COC(c1ccc(C(F)(F)F)cc1)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C24H27F3O4 436.470000 |
QVRHVECXDJEXQW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50495096; PubChem:CID71616173
|
Local ready
Direct docking supported
|
|
E3L057732
BDB057732
|
BDBM50495097
COC(c1ccccc1OC(F)(F)F)C1CC1c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C24H27F3O5 452.469000 |
BZOJSSCYQKVFDM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50495097; PubChem:CID71616409
|
Local ready
Direct docking supported
|
|
E3L057733
BDB057733
|
BDBM50495098
Cc1cc(C2CC2C(OCCC2CCCCC2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)O
|
C31H39F3O5 548.642000 |
LJNKNSLLALFXBC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50495098; PubChem:CID71616290
|
Local ready
Direct docking supported
|
|
E3L057734
BDB057734
|
BDBM50495425
COc1ccc(S(=O)(=O)Nc2cc(-c3nn4c(C)nnc4c4ccccc34)ccc2N2CCN(C)CC2)cc1
|
C28H29N7O3S 543.653000 |
APJDTDALQSVARU-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50495425; PubChem:CID76328466
|
Local ready
Direct docking supported
|
|
E3L057735
BDB057735
|
BDBM50495426
Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4ccccc4Cl)c3)nn12
|
C26H23ClN6O3S 535.029000 |
WLUMGCPGWDQOSB-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50495426; PubChem:CID76310219
|
Local ready
Direct docking supported
|
|
E3L057736
BDB057736
|
BDBM50495427
CNS(=O)(=O)c1cc(-c2nn3c(C)nnc3c3ccccc23)ccc1C
|
C18H17N5O2S 367.434000 |
ABQMPFKFBYVSKA-UHFFFAOYSA-N | O15164, Q92793 | CREB-binding protein, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50495427; PubChem:CID1511198
|
Local ready
Direct docking supported
|
|
E3L057737
BDB057737
|
BDBM50495428
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1NS(C)(=O)=O
|
C18H17N5O2S 367.434000 |
ZACGKNYCBHUCNI-UHFFFAOYSA-N | O15164, Q92793 | CREB-binding protein, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50495428; PubChem:CID4907545
|
Local ready
Direct docking supported
|
|
E3L057738
BDB057738
|
BDBM50495429
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N(C)C
|
C19H19N5O2S 381.461000 |
UTHVSBDCNLCZHF-UHFFFAOYSA-N | O15164, Q92793 | CREB-binding protein, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50495429; PubChem:CID1511199
|
Local ready
Direct docking supported
|
|
E3L057739
BDB057739
|
BDBM50495430
Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)nn12
|
C26H23ClN6O3S 535.029000 |
RHPSSUMJYGAMNR-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50495430; PubChem:CID76335637
|
Local ready
Direct docking supported
|
|
E3L057740
BDB057740
|
BDBM50495431
Cc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c(NS(C)(=O)=O)c3)nn12
|
C21H22N6O3S 438.513000 |
MYFFGZYMLKZBPZ-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50495431; PubChem:CID76317442
|
Local ready
Direct docking supported
|