| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048401
BDB048401
|
BDBM50200469
C[C@@H](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)CCNC(=O)c1ccc(N=C=S)cc1C1c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
|
C58H63N9O22S 1270.250000 |
CZWGZUGJDHOPGX-BMMHLTIKSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50200469
|
Local ready
Direct docking supported
|
|
E3L048402
BDB048402
|
Ac-Leu-Asp-Pro-Glu-Thr-Gly-Glu-Phe-Leu-OH
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O
|
C48H71N9O18 1062.141000 |
LIMQVDWPBLYBAI-BMISOUISSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50200470; PubChem:CID134151181
|
Local ready
Direct docking supported
|
|
E3L048403
BDB048403
|
Ac-Asp-Ala-Glu-Thr-Gly-Glu-Phe-OH
CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
|
C34H47N7O16 809.783000 |
DOJBMHQVBQYLFI-QDJKAAISSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50200471; PubChem:CID134154488
|
Local ready
Direct docking supported
|
|
E3L048404
BDB048404
|
BDBM50200472
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)c1ccc(N=C=S)cc1C1c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](C)O)C(N)=O
|
C67H81N11O22S 1424.507000 |
CDBOFUVFGFQICL-IEZRXWCASA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50200472
|
Local ready
Direct docking supported
|
|
E3L048405
BDB048405
|
Ac-Asp-Pro-Glu-Thr-Gly-Glu-Phe-OH
CC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O
|
C36H49N7O16 835.821000 |
LNRVRXVVMABMEU-CRBRZILWSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50200473; PubChem:CID134131661
|
Local ready
Direct docking supported
|
|
E3L048406
BDB048406
|
6(5h)-Phenanthridinone, 2-amino-
Nc1ccc2[nH]c(=O)c3ccccc3c2c1
|
C13H10N2O 210.236000 |
YMTIEBMDXHJRKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50200497; PubChem:CID270668
|
Local ready
Direct docking supported
|
|
E3L048407
BDB048407
|
BDBM50202151
O=C(O)CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC1=S
|
C27H23NO5S2 505.617000 |
NELDZQRTYVKUHA-LFVJCYFKSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50202151; PubChem:CID24677765
|
Local ready
Direct docking supported
|
|
E3L048408
BDB048408
|
BDBM50202299
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc32)cc1
|
C14H11BrN4O3S 395.238000 |
ODZNNZYRBRRREX-UHFFFAOYSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM50202299
|
Local ready
Direct docking supported
|
|
E3L048409
BDB048409
|
N-octadecylsulfamide
CCCCCCCCCCCCCCCCCCNS(N)(=O)=O
|
C18H40N2O2S 348.597000 |
QIJYZYSUOVKJCJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50202579; PubChem:CID16103189
|
Local ready
Direct docking supported
|
|
E3L048410
BDB048410
|
(Z)-N-(propylsulfamoyl)octadec-8-en-1-amine
CCCCCCCCC/C=C\CCCCCCCNS(=O)(=O)NCCC
|
C21H44N2O2S 388.662000 |
FLGBITCLLJQKAX-SEYXRHQNSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50202580; PubChem:CID44418906
|
Local ready
Direct docking supported
|
|
E3L048411
BDB048411
|
N-hexadecylsulfamide
CCCCCCCCCCCCCCCCNS(N)(=O)=O
|
C16H36N2O2S 320.543000 |
ANHFOIVEIHQMPJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50202581; PubChem:CID16103190
|
Local ready
Direct docking supported
|
|
E3L048412
BDB048412
|
N-oleylsulfamide
CCCCCCCCC/C=C\CCCCCCCNS(N)(=O)=O
|
C18H38N2O2S 346.581000 |
FANYOWIWXMBWNW-KHPPLWFESA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50202582; PubChem:CID44418903
|
Local ready
Direct docking supported
|
|
E3L048413
BDB048413
|
N-octadecyl-N'-propylsulfamide
CCCCCCCCCCCCCCCCCCNS(=O)(=O)NCCC
|
C21H46N2O2S 390.678000 |
VOJRCUXNIZFQKR-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50202583; PubChem:CID16103197
|
Local ready
Direct docking supported
|
|
E3L048414
BDB048414
|
N-(2-adamantyl)-N'-propylsulfamide
CCCNS(=O)(=O)NC1C2CC3CC(C2)CC1C3
|
C13H24N2O2S 272.414000 |
HVLBCVJJDOICDV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50202584; PubChem:CID16103199
|
Local ready
Direct docking supported
|
|
E3L048415
BDB048415
|
N-hexadecyl-N'-propylsulfamide
CCCCCCCCCCCCCCCCNS(=O)(=O)NCCC
|
C19H42N2O2S 362.624000 |
UTGADDAJJSPMEU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50202585; PubChem:CID16103192
|
Local ready
Direct docking supported
|
|
E3L048416
BDB048416
|
Berberine
COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
|
C20H18NO4+ 336.367000 |
YBHILYKTIRIUTE-UHFFFAOYSA-N | Q07869, Q09472 | Peroxisome proliferator-activated receptor alpha, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50203126; PubChem:CID2353
|
Local ready
Direct docking supported
|
|
E3L048417
BDB048417
|
BDBM50203462
CN(C)C(=O)c1ccc2c(c1)c(Oc1c(Cl)cccc1C(F)(F)F)nn2-c1ccc(C(=O)O)cc1
|
C24H17ClF3N3O4 503.864000 |
PRFOAGMHUSKCKE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50203462; PubChem:CID122235238
|
Local ready
Direct docking supported
|
|
E3L048418
BDB048418
|
Benzethonium
CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
|
C27H42NO2+ 412.638000 |
SIYLLGKDQZGJHK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50203812; PubChem:CID2335
|
Local ready
Direct docking supported
|
|
E3L048419
BDB048419
|
BDBM50204012
CC#C[C@@H](CC(=O)O)c1ccc(OCc2ccc(CN3CCCc4cccc(OC)c43)s2)cc1
|
C28H29NO4S 475.610000 |
VJVDLRVFJTVWEO-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50204012; PubChem:CID71257551
|
Local ready
Direct docking supported
|
|
E3L048420
BDB048420
|
BDBM50204694
O=C(N[C@H]1CC[C@H](O)CC1)c1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2
|
C29H27N3O3 465.553000 |
VKPCXCHYSBVEMW-HCGLCNNCSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50204694
|
Local ready
Direct docking supported
|