| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047841
BDB047841
|
2-(3-Methoxyphenyl)-4-methylsulfanylquinazoline
COc1cccc(-c2nc(SC)c3ccccc3n2)c1
|
C16H14N2OS 282.368000 |
SAUVUKJMFHBLNQ-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50185305; PubChem:CID127049804
|
Local ready
Direct docking supported
|
|
E3L047842
BDB047842
|
2-(3-methoxyphenyl)-1H-quinazoline-4-thione
COc1cccc(-c2nc3ccccc3c(=S)[nH]2)c1
|
C15H12N2OS 268.341000 |
SGSOUQOVKICATR-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50185306; PubChem:CID127049803
|
Local ready
Direct docking supported
|
|
E3L047843
BDB047843
|
4-Methoxy-2-(3-methoxyphenyl)quinazoline
COc1cccc(-c2nc(OC)c3ccccc3n2)c1
|
C16H14N2O2 266.300000 |
JVKZOMRKPPPPJU-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50185307; PubChem:CID46925833
|
Local ready
Direct docking supported
|
|
E3L047844
BDB047844
|
BDBM50185420
CCC(Oc1ccc(C2(c3ccc(OC(CC)C(=O)O)c(C)c3)CCCCC2)cc1C)C(=O)O
|
C28H36O6 468.590000 |
JYKLOADJOATWHQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50185420; PubChem:CID15604876
|
Local ready
Direct docking supported
|
|
E3L047845
BDB047845
|
BDBM50185942
O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1
|
C21H12F4N4O3S3 540.545000 |
AQBWKNOCZBYHHS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50185942; PubChem:CID2742758
|
Local ready
Direct docking supported
|
|
E3L047846
BDB047846
|
BDBM50185943
O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cccc(F)c1
|
C19H13F2N3O2S2 417.462000 |
GULUFDCOGAXLEP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50185943; PubChem:CID2742752
|
Local ready
Direct docking supported
|
|
E3L047847
BDB047847
|
BDBM50185944
O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
|
C21H12F7N3O2S2 535.466000 |
BQSKQGGQDUBLNS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50185944; PubChem:CID2742759
|
Local ready
Direct docking supported
|
|
E3L047848
BDB047848
|
BDBM50188019
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC)oc2C)c1)C(=O)O
|
C25H26N2O5 434.492000 |
UVONRKUHROLAFB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188019; PubChem:CID10433053
|
Local ready
Direct docking supported
|
|
E3L047849
BDB047849
|
BDBM50188020
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
|
C24H24N2O4 404.466000 |
SOUNJDHGUGDNBB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188020; PubChem:CID10341169
|
Local ready
Direct docking supported
|
|
E3L047850
BDB047850
|
BDBM50188021
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)O
|
C25H23F3N2O4 472.463000 |
ZYXIXLCLHFATLN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188021; PubChem:CID10254209
|
Local ready
Direct docking supported
|
|
E3L047851
BDB047851
|
BDBM50188022
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(CC)cc3)oc2C)c1)C(=O)O
|
C26H28N2O4 432.520000 |
RTXIDZKNOYTSIW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188022; PubChem:CID10342769
|
Local ready
Direct docking supported
|
|
E3L047852
BDB047852
|
BDBM50188023
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(C)C)cc3)oc2C)c1)C(=O)O
|
C27H30N2O4 446.547000 |
UDXHXODNGSKQKU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188023; PubChem:CID10343538
|
Local ready
Direct docking supported
|
|
E3L047853
BDB047853
|
BDBM50188024
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)c1)C(=O)O
|
C28H32N2O4 460.574000 |
FVPCEABQEUPZJE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188024; PubChem:CID10072967
|
Local ready
Direct docking supported
|
|
E3L047854
BDB047854
|
BDBM50188025
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cc(OC)cc(OC)c3)oc2C)c1)C(=O)O
|
C26H28N2O6 464.518000 |
PMZZWDLQGMUYFU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188025; PubChem:CID10412116
|
Local ready
Direct docking supported
|
|
E3L047855
BDB047855
|
BDBM50188026
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)cc3)oc2C)c1)C(=O)O
|
C24H23FN2O4 422.456000 |
VKXXMTBEMZTIPR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188026; PubChem:CID10432356
|
Local ready
Direct docking supported
|
|
E3L047856
BDB047856
|
BDBM50188027
CCOC(Cc1cccc2c1ccn2CCCc1nc(-c2ccccc2)oc1C)C(=O)O
|
C26H28N2O4 432.520000 |
DKDATBYVPQYIRT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188027; PubChem:CID10455509
|
Local ready
Direct docking supported
|
|
E3L047857
BDB047857
|
BDBM50188028
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3C)oc2C)c1)C(=O)O
|
C25H26N2O4 418.493000 |
QWORIWQTCIYNKN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188028; PubChem:CID10070650
|
Local ready
Direct docking supported
|
|
E3L047858
BDB047858
|
BDBM50188029
CCO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3Cl)oc2C)c1)C(=O)O
|
C24H23ClN2O4 438.911000 |
PAWOPJKHTZCKMT-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188029; PubChem:CID9549225
|
Local ready
Direct docking supported
|
|
E3L047859
BDB047859
|
BDBM50188030
COC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O
|
C23H22N2O4 390.439000 |
ZYZXCPVWUZRARY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188030; PubChem:CID10023279
|
Local ready
Direct docking supported
|
|
E3L047860
BDB047860
|
BDBM50188031
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(F)c(C)c3)oc2C)c1)C(=O)O
|
C25H25FN2O4 436.483000 |
MMOLYSUHEKSQBL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188031; PubChem:CID10320822
|
Local ready
Direct docking supported
|