| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045721
BDB045721
|
BDBM50099486
CC(C)(Sc1ccc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O
|
C33H32Cl2N2O3S 607.603000 |
UIEUQFZYZPCSHK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50099486; PubChem:CID44273964
|
Local ready
Direct docking supported
|
|
E3L045722
BDB045722
|
BDBM50099487
CC(C)(Sc1ccc(CCN(CCc2ccc(-c3ccccc3)cc2)C(=O)NC2CCCCC2)cc1)C(=O)O
|
C33H40N2O3S 544.761000 |
YPCVJZIGKJSYKB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50099487; PubChem:CID9850395
|
Local ready
Direct docking supported
|
|
E3L045723
BDB045723
|
BDBM50099488
CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cccc(C#N)c2)cc1)C(=O)O
|
C30H39N3O3S 521.727000 |
VETZYZSDTFDNPF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50099488; PubChem:CID44274044
|
Local ready
Direct docking supported
|
|
E3L045724
BDB045724
|
BDBM50099489
COc1ccccc1NC(=O)N(CCCCC1CCCCC1)CCc1ccc(SC(C)(C)C(=O)O)cc1
|
C30H42N2O4S 526.743000 |
HTSVLIQAAVXDEU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50099489; PubChem:CID44273944
|
Local ready
Direct docking supported
|
|
E3L045725
BDB045725
|
BDBM50099490
COc1ccc(C)cc1NC(=O)N(CCc1ccc(SC(C)(C)C(=O)O)cc1)CCc1ccc(-c2ccccc2)cc1
|
C35H38N2O4S 582.766000 |
KYTZUDSIEJIRJM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50099490; PubChem:CID44273875
|
Local ready
Direct docking supported
|
|
E3L045726
BDB045726
|
GW-7647
CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O
|
C29H46N2O3S 502.765000 |
PKNYXWMTHFMHKD-UHFFFAOYSA-N | P37231, Q07869, Q8TAF3 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma, WD repeat-containing protein 48 |
BindingDB, PubChem
BindingDB:BDBM50099491; PubChem:CID3392731
|
Local ready
Direct docking supported
|
|
E3L045727
BDB045727
|
BDBM50099492
Cc1ccc(NC(=O)N(CCCCC2CCCCC2)CCc2ccc(SC(C)(C)C(=O)O)cc2)cc1[N+](=O)[O-]
|
C30H41N3O5S 555.741000 |
LRLDBAWAMQJEFB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50099492; PubChem:CID44274047
|
Local ready
Direct docking supported
|
|
E3L045728
BDB045728
|
BDBM50099493
Cc1cc(C)c(NC(=O)N(CCc2ccc(SC(C)(C)C(=O)O)cc2)CCc2ccc(-c3ccccc3)cc2)cc1C
|
C36H40N2O3S 580.794000 |
HOGWWJJFMIOPET-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50099493; PubChem:CID44274107
|
Local ready
Direct docking supported
|
|
E3L045729
BDB045729
|
BDBM50099494
CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(=O)O
|
C29H38Cl2N2O3S 565.607000 |
KPQTVIWBNKRVSR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50099494; PubChem:CID44274021
|
Local ready
Direct docking supported
|
|
E3L045730
BDB045730
|
2-Aminophenanthrene-9,10-dione
Nc1ccc2c(c1)C(=O)C(=O)c1ccccc1-2
|
C14H9NO2 223.231000 |
HENHQTJCDFNZOI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50099737; PubChem:CID254021
|
Local ready
Direct docking supported
|
|
E3L045731
BDB045731
|
Q182 4-Anilino-1,2-naphthoquinone
O=C1C=C(Nc2ccccc2)c2ccccc2C1=O
|
C16H11NO2 249.269000 |
NMSRYZBDOYDJBJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50099763; PubChem:CID344131
|
Local ready
Direct docking supported
|
|
E3L045732
BDB045732
|
BDBM50100316
Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21
|
C18H15N5O2 333.351000 |
ZHMCGBRGDVCXLS-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50100316; PubChem:CID91933866
|
Local ready
Direct docking supported
|
|
E3L045733
BDB045733
|
BDBM50100441
Cc1oc(-c2ccccc2)nc1CCOc1ccc(OCC(=O)O)cc1
|
C20H19NO5 353.374000 |
NCGSRUIHTLREIE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50100441; PubChem:CID11024616
|
Local ready
Direct docking supported
|
|
E3L045734
BDB045734
|
LY-465608
Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1
|
C28H27NO5 457.526000 |
JDJHTJNBMZSSLK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50100442; PubChem:CID9890319
|
Local ready
Direct docking supported
|
|
E3L045735
BDB045735
|
BDBM50100443
Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1
|
C22H23NO5 381.428000 |
DBLOTXLMFNXDEW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50100443; PubChem:CID11058026
|
Local ready
Direct docking supported
|
|
E3L045736
BDB045736
|
BDBM50100444
Cc1oc(-c2ccc(Br)cc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1
|
C22H22BrNO5 460.324000 |
YJHYSUSIHLLMIF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50100444; PubChem:CID10983398
|
Local ready
Direct docking supported
|
|
E3L045737
BDB045737
|
BDBM50100445
Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)C(=O)O)cc1
|
C21H21NO5 367.401000 |
ZBKLXHAHCJHQOK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50100445; PubChem:CID10992201
|
Local ready
Direct docking supported
|
|
E3L045738
BDB045738
|
5,6-Dihydro-6-oxophenanthridine-3-carboxylic acid
O=C(O)c1ccc2c(c1)[nH]c(=O)c1ccccc12
|
C14H9NO3 239.230000 |
QCZYYHNRVZRTGW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101102; PubChem:CID217664
|
Local ready
Direct docking supported
|
|
E3L045739
BDB045739
|
BDBM50101103
COC(=O)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12
|
C15H10FNO3 271.247000 |
GYVJOGVOINMSIW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101103; PubChem:CID9878580
|
Local ready
Direct docking supported
|
|
E3L045740
BDB045740
|
BDBM50101104
Cc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(NC(=O)CCl)cc3c12
|
C17H12ClF3N2O2 368.742000 |
DBTYRAXAZLBSRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101104; PubChem:CID10177097
|
Local ready
Direct docking supported
|