| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046501
BDB046501
|
Benzo[a]pyrene
c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
|
C20H12 252.316000 |
FMMWHPNWAFZXNH-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50137506; PubChem:CID2336
|
Local ready
Direct docking supported
|
|
E3L046502
BDB046502
|
BDBM50138056
CC(CCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21)N=O
|
C24H28N2O6 440.496000 |
PFVYTEDPYDFRGM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138056; PubChem:CID90799728
|
Local ready
Direct docking supported
|
|
E3L046503
BDB046503
|
BDBM50138057
O=C(O)Cc1ccccc1OCCC1Oc2ccccc2N(CCCCCO)C1=O
|
C23H27NO6 413.470000 |
KVGZQXFPZKQSAP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138057; PubChem:CID11452684
|
Local ready
Direct docking supported
|
|
E3L046504
BDB046504
|
BDBM50138058
CCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C20H21NO5 355.390000 |
VSIIJDWZRDMFSE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138058; PubChem:CID11485037
|
Local ready
Direct docking supported
|
|
E3L046505
BDB046505
|
BDBM50138059
COCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C23H27NO6 413.470000 |
UGULVSDUMPYMFK-OAQYLSRUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138059; PubChem:CID11750299
|
Local ready
Direct docking supported
|
|
E3L046506
BDB046506
|
BDBM50138060
O=C(O)CCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C23H25NO7 427.453000 |
KHLBKUCUEUCPCK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138060; PubChem:CID11373702
|
Local ready
Direct docking supported
|
|
E3L046507
BDB046507
|
BDBM50138061
O=C(O)Cc1ccccc1OCCC1Oc2ccccc2N(CCCC2CCCC2)C1=O
|
C26H31NO5 437.536000 |
ULWGGAREJTVAJM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138061; PubChem:CID11224385
|
Local ready
Direct docking supported
|
|
E3L046508
BDB046508
|
BDBM50138062
O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCF)C1=O
|
C24H28FNO5 429.488000 |
UALXBJPTYCHHJQ-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138062; PubChem:CID11258935
|
Local ready
Direct docking supported
|
|
E3L046509
BDB046509
|
BDBM50138063
O=C(O)Cc1ccccc1OCCC1Oc2ccccc2N(CCCCCCCF)C1=O
|
C25H30FNO5 443.515000 |
CQQKHKSSAYBTKJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138063; PubChem:CID11351245
|
Local ready
Direct docking supported
|
|
E3L046510
BDB046510
|
BDBM50138064
CCCCCCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C26H33NO5 439.552000 |
LNTYAGDQZADOFC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138064; PubChem:CID11178155
|
Local ready
Direct docking supported
|
|
E3L046511
BDB046511
|
BDBM50138065
O=C(O)Cc1ccccc1OCCC1Oc2ccccc2N(CCO)C1=O
|
C20H21NO6 371.389000 |
INUCEESJUQNNMX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138065; PubChem:CID11187864
|
Local ready
Direct docking supported
|
|
E3L046512
BDB046512
|
BDBM50138066
CC(F)(F)CCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C24H27F2NO5 447.478000 |
UEKNGWKJBQFLMI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138066; PubChem:CID11259404
|
Local ready
Direct docking supported
|
|
E3L046513
BDB046513
|
BDBM50138067
COCCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C23H27NO6 413.470000 |
UGULVSDUMPYMFK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138067; PubChem:CID10158648
|
Local ready
Direct docking supported
|
|
E3L046514
BDB046514
|
BDBM50138068
CN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C19H19NO5 341.363000 |
WQWSVUZCDSOQKC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138068; PubChem:CID11221515
|
Local ready
Direct docking supported
|
|
E3L046515
BDB046515
|
BDBM50138069
CC(O)CCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C24H29NO6 427.497000 |
BDLDSSMAHRDDGB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138069; PubChem:CID11339346
|
Local ready
Direct docking supported
|
|
E3L046516
BDB046516
|
BDBM50138070
O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCCF)C1=O
|
C24H28FNO5 429.488000 |
UALXBJPTYCHHJQ-JOCHJYFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138070; PubChem:CID11373767
|
Local ready
Direct docking supported
|
|
E3L046517
BDB046517
|
BDBM50138071
CC(F)(F)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C24H27F2NO5 447.478000 |
UEKNGWKJBQFLMI-NRFANRHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138071; PubChem:CID11751223
|
Local ready
Direct docking supported
|
|
E3L046518
BDB046518
|
BDBM50138072
CCCCCCCN1C(=O)C(CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C25H31NO5 425.525000 |
FDTNPGNXZBBZIQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138072; PubChem:CID11464448
|
Local ready
Direct docking supported
|
|
E3L046519
BDB046519
|
BDBM50138073
CC(F)(F)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21
|
C24H27F2NO5 447.478000 |
UEKNGWKJBQFLMI-OAQYLSRUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138073; PubChem:CID11316811
|
Local ready
Direct docking supported
|
|
E3L046520
BDB046520
|
BDBM50138074
O=C(O)Cc1ccccc1OCCC1Oc2ccccc2N(CCCCCCF)C1=O
|
C24H28FNO5 429.488000 |
UALXBJPTYCHHJQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50138074; PubChem:CID9910503
|
Local ready
Direct docking supported
|