| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050481
BDB050481
|
BDBM50269353
COc1ccccc1/C=C/C(=O)c1ccc[nH]1
|
C14H13NO2 227.263000 |
UKBOFKJNWJETFB-CMDGGOBGSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50269353; PubChem:CID102435977
|
Local ready
Direct docking supported
|
|
E3L050482
BDB050482
|
3-(2-chlorophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
O=C(/C=C/c1ccccc1Cl)c1ccc[nH]1
|
C13H10ClNO 231.682000 |
XSOAGLJGAHVYSG-BQYQJAHWSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50269354; PubChem:CID6020016
|
Local ready
Direct docking supported
|
|
E3L050483
BDB050483
|
BDBM50269510
Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)nc3ccccc3c2=O)cc1
|
C30H31N5O5S2 605.742000 |
DQHQALKAYSYBQN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269510; PubChem:CID132609299
|
Local ready
Direct docking supported
|
|
E3L050484
BDB050484
|
BDBM50269511
Cc1ccc(-n2c(SCC(=O)Nc3ccc(S(=O)(=O)NC(=O)Nc4ccccc4)cc3)nc3ccccc3c2=O)cc1
|
C30H25N5O5S2 599.694000 |
SOYRBJOZZUIORF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269511; PubChem:CID132609296
|
Local ready
Direct docking supported
|
|
E3L050485
BDB050485
|
BDBM50269512
CC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1
|
C22H28BrN3O5S2 558.520000 |
MNDAULMXDHEBME-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269512; PubChem:CID25256813
|
Local ready
Direct docking supported
|
|
E3L050486
BDB050486
|
BDBM50269513
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)cc1
|
C24H32N4O6S2 536.676000 |
JTFGRSDMQLNPNC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269513; PubChem:CID44565017
|
Local ready
Direct docking supported
|
|
E3L050487
BDB050487
|
BDBM50269514
CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCC(C)CC3)cc2)cc1C
|
C25H34N4O6S2 550.703000 |
BYNUVELTFRYSNU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269514; PubChem:CID44565018
|
Local ready
Direct docking supported
|
|
E3L050488
BDB050488
|
BDBM50269519
Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=O)Nc3ccccc3)cc2)c1=O
|
C24H21N5O5S 491.529000 |
IXRKMVWXQZJMBO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269519; PubChem:CID132961630
|
Local ready
Direct docking supported
|
|
E3L050489
BDB050489
|
BDBM50269520
Cc1nc2ccccc2n(CC(=O)Nc2ccc(S(=O)(=O)NC(=S)Nc3ccccc3)cc2)c1=O
|
C24H21N5O4S2 507.597000 |
QLTOIXPIPMBHAK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269520; PubChem:CID134152006
|
Local ready
Direct docking supported
|
|
E3L050490
BDB050490
|
BDBM50269521
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
|
C21H27N3O5S2 465.597000 |
TUHOKINPVPLRLK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269521; PubChem:CID44565072
|
Local ready
Direct docking supported
|
|
E3L050491
BDB050491
|
BDBM50269522
CC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)CC1
|
C22H29N3O5S2 479.624000 |
BXKVRVBLONITHD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269522; PubChem:CID44565119
|
Local ready
Direct docking supported
|
|
E3L050492
BDB050492
|
BDBM50269523
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
|
C21H26ClN3O5S2 500.042000 |
LOICCZOEFBEJCZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269523; PubChem:CID44565120
|
Local ready
Direct docking supported
|
|
E3L050493
BDB050493
|
BDBM50269524
O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1
|
C21H26BrN3O5S2 544.493000 |
OXHCFLLVNKWEIN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269524; PubChem:CID44565121
|
Local ready
Direct docking supported
|
|
E3L050494
BDB050494
|
Palmitoleic Acid
CCCCCC/C=C\CCCCCCCC(=O)O
|
C16H30O2 254.414000 |
SECPZKHBENQXJG-FPLPWBNLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50269531; PubChem:CID445638
|
Local ready
Direct docking supported
|
|
E3L050495
BDB050495
|
Gamma-Linolenic acid
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O
|
C18H30O2 278.436000 |
VZCCETWTMQHEPK-QNEBEIHSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50269532; PubChem:CID5280933
|
Local ready
Direct docking supported
|
|
E3L050496
BDB050496
|
Dihomo-Gamma-Linolenic Acid
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
|
C20H34O2 306.490000 |
HOBAELRKJCKHQD-QNEBEIHSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269534; PubChem:CID5280581
|
Local ready
Direct docking supported
|
|
E3L050497
BDB050497
|
BDBM50269536
O=S(=O)(NCCc1ccc(S(=O)(=O)NC(=S)Nc2ccc(Cl)cc2)cc1)c1ccccc1
|
C21H20ClN3O4S3 510.062000 |
PKNLLTRFMFCRHG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269536; PubChem:CID44565122
|
Local ready
Direct docking supported
|
|
E3L050498
BDB050498
|
BDBM50269537
Cc1ccc(NC(=S)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cc1
|
C22H23N3O4S3 489.644000 |
RECSIECUYZJYLZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269537; PubChem:CID44565166
|
Local ready
Direct docking supported
|
|
E3L050499
BDB050499
|
BDBM50269538
COc1ccc(NC(=S)NS(=O)(=O)c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)cc1
|
C22H23N3O5S3 505.643000 |
KVEPIEBZLVCHJA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269538; PubChem:CID44565167
|
Local ready
Direct docking supported
|
|
E3L050500
BDB050500
|
BDBM50269539
O=S(=O)(NCCc1ccc(S(=O)(=O)NC(=S)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1
|
C21H19Cl2N3O4S3 544.507000 |
KMUXJCLWYBAQEW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50269539; PubChem:CID44565168
|
Local ready
Direct docking supported
|