| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063461
BDB063461
|
BDBM50619046
CC(C)C1(CCOc2cc(CC(=O)O)ccc2Cl)CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C25H28Cl2N2O3S 507.483000 |
VFMSUHKKMMGCJU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619046; PubChem:CID68068934
|
Local ready
Direct docking supported
|
|
E3L063462
BDB063462
|
BDBM50619047
CC(C)CC1(CCOc2cc(Cl)cc(CC(=O)O)c2)CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C26H30Cl2N2O3S 521.510000 |
WTRKBMOSZADWDF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619047; PubChem:CID57966500
|
Local ready
Direct docking supported
|
|
E3L063463
BDB063463
|
BDBM50619048
CCC(C)C1(CCOc2cc(Cl)cc(CC(=O)O)c2)CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C26H30Cl2N2O3S 521.510000 |
BGYPBEYAVLDOEX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619048; PubChem:CID172457043
|
Local ready
Direct docking supported
|
|
E3L063464
BDB063464
|
BDBM50619049
O=C(O)Cc1cc(Cl)cc(OCCC2(C3CCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
|
C27H30Cl2N2O3S 533.521000 |
BOBDKNYKACMVAS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619049; PubChem:CID57966932
|
Local ready
Direct docking supported
|
|
E3L063465
BDB063465
|
BDBM50619052
O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
|
C27H31Cl2N3O3S 548.536000 |
JLHNADQBXNTICL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619052; PubChem:CID57966611
|
Local ready
Direct docking supported
|
|
E3L063466
BDB063466
|
BDBM50619054
O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
|
C26H29Cl2N3O3S 534.509000 |
VTERPBPEPKJZGO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619054; PubChem:CID57966100
|
Local ready
Direct docking supported
|
|
E3L063467
BDB063467
|
BDBM50619057
O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(C(F)(F)F)cc4s3)CC2)c1
|
C27H29ClF3N3O3S 568.061000 |
TUIZACKZGMXVOP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619057; PubChem:CID57966210
|
Local ready
Direct docking supported
|
|
E3L063468
BDB063468
|
BDBM50619060
Cc1cc(CC(=O)O)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
|
C27H32ClN3O3S 514.091000 |
DCCBLTIVTWKINM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619060; PubChem:CID57966396
|
Local ready
Direct docking supported
|
|
E3L063469
BDB063469
|
BDBM50619061
Cc1ccc(CC(=O)O)cc1OCCC1(N2CCCC2)CCN(c2nc3ccc(Cl)cc3s2)CC1
|
C27H32ClN3O3S 514.091000 |
ACMXMPXDVGKDBB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619061; PubChem:CID57966217
|
Local ready
Direct docking supported
|
|
E3L063470
BDB063470
|
PPAR|A agonist 9
O=C(O)Cc1cc(Cl)cc(OCCC2(N3CCCC3)CCN(c3nc4ccc(C(F)(F)F)nc4s3)CC2)c1
|
C26H28ClF3N4O3S 569.049000 |
KAGLXEKIFXHEMB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50619062; PubChem:CID57966167
|
Local ready
Direct docking supported
|
|
E3L063471
BDB063471
|
BDBM50619063
O=C(O)Cc1ccc(Cl)c(OCCC2(N3CCCC3)CCN(c3nc4ccc(C(F)(F)F)nc4s3)CC2)c1
|
C26H28ClF3N4O3S 569.049000 |
HRTMSLDMZKRFFD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619063; PubChem:CID57966154
|
Local ready
Direct docking supported
|
|
E3L063472
BDB063472
|
BDBM50619127
Cc1cccc(Nc2cc(Cl)nc(CSC(=O)O)n2)c1C
|
C14H14ClN3O2S 323.805000 |
CWEBRGCEIMHMHT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619127; PubChem:CID172456715
|
Local ready
Direct docking supported
|
|
E3L063473
BDB063473
|
3-(5-Furan-3-yl[1,2,4]oxadiazol-3-yl)pyridine
c1cncc(-c2noc(-c3ccoc3)n2)c1
|
C11H7N3O2 213.196000 |
UAQDTDBRGYGJFK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619128; PubChem:CID11998047
|
Local ready
Direct docking supported
|
|
E3L063474
BDB063474
|
3-pyridin-3-yl-5-(1H-pyrrol-3-yl)-1,2,4-oxadiazole
c1cncc(-c2noc(-c3cc[nH]c3)n2)c1
|
C11H8N4O 212.212000 |
LGJCGZLFIZKESJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619129; PubChem:CID172441621
|
Local ready
Direct docking supported
|
|
E3L063475
BDB063475
|
5-(1-Methylpyrrol-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
Cn1ccc(-c2nc(-c3cccnc3)no2)c1
|
C12H10N4O 226.239000 |
LATSRERXTLVASZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619130; PubChem:CID172455391
|
Local ready
Direct docking supported
|
|
E3L063476
BDB063476
|
BDBM50619131
c1cncc(-c2noc(-c3ncsn3)n2)c1
|
C9H5N5OS 231.240000 |
GPRKNDYIBVHHFU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619131; PubChem:CID172449885
|
Local ready
Direct docking supported
|
|
E3L063477
BDB063477
|
BDBM50619132
c1cncc(-c2noc(-c3ncon3)n2)c1
|
C9H5N5O2 215.172000 |
BNAQZFZCZSVWEQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619132; PubChem:CID172465126
|
Local ready
Direct docking supported
|
|
E3L063478
BDB063478
|
BDBM50619133
c1cncc(-c2noc(-c3nc[nH]n3)n2)c1
|
C9H6N6O 214.188000 |
LAUQCCKKPQGMEY-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619133; PubChem:CID172458550
|
Local ready
Direct docking supported
|
|
E3L063479
BDB063479
|
BDBM50619134
Cn1cnc(-c2nc(-c3cccnc3)no2)n1
|
C10H8N6O 228.215000 |
KRKFWOIXXGCGHK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619134; PubChem:CID172458956
|
Local ready
Direct docking supported
|
|
E3L063480
BDB063480
|
BDBM50619135
c1cncc(-c2noc(-c3nnsn3)n2)c1
|
C8H4N6OS 232.228000 |
QETGTJNTKFVXEB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619135; PubChem:CID172461433
|
Local ready
Direct docking supported
|