| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L024061
BDB024061
|
US11261170, Example 7
Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2C)cc(C)c1OC(C)(C)C(=O)O
|
C25H25NO4 403.478000 |
WAYYHPVMRPPDHD-ZHACJKMWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539946; PubChem:CID142599790
|
Local ready
Direct docking supported
|
|
E3L024062
BDB024062
|
US11261170, Example 8
Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2C(F)(F)F)cc(C)c1OC(C)(C)C(=O)O
|
C25H22F3NO4 457.448000 |
LSQWQFKZTXIDPC-MDZDMXLPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539983; PubChem:CID142599781
|
Local ready
Direct docking supported
|
|
E3L024063
BDB024063
|
US11261170, Example 9
Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2N(C)C)cc(C)c1OC(C)(C)C(=O)O
|
C26H28N2O4 432.520000 |
NBKZFDLGHCZCTH-VAWYXSNFSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539985; PubChem:CID142599776
|
Local ready
Direct docking supported
|
|
E3L024064
BDB024064
|
US11261170, Example 10
Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2N2CCCC2)cc(C)c1OC(C)(C)C(=O)O
|
C28H30N2O4 458.558000 |
IIWMCANESNTQRF-VAWYXSNFSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539987; PubChem:CID142599779
|
Local ready
Direct docking supported
|
|
E3L024065
BDB024065
|
US11261170, Example 11
Cc1cc(/C=C/C(=O)c2cc3ccccc3nc2N2CCOCC2)cc(C)c1OC(C)(C)C(=O)O
|
C28H30N2O5 474.557000 |
MQJWKEFBLGGQCJ-MDZDMXLPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539992; PubChem:CID142599788
|
Local ready
Direct docking supported
|
|
E3L024066
BDB024066
|
US11261170, Example 17
CSc1nc2ccccc2cc1C(=O)/C=C/c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1
|
C25H25NO4S 435.545000 |
OKGXUOLESKAPDV-ZHACJKMWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539993; PubChem:CID142599787
|
Local ready
Direct docking supported
|
|
E3L024067
BDB024067
|
US11261170, Example 18
COc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c(Cl)nc2c1
|
C25H24ClNO5 453.922000 |
OTCMREOHAADUBD-RMKNXTFCSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539994; PubChem:CID142599785
|
Local ready
Direct docking supported
|
|
E3L024068
BDB024068
|
US11261170, Example 19
COc1ccc2cc(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)c(OC)nc2c1
|
C26H27NO6 449.503000 |
MBYJQOCBWHXGFD-JXMROGBWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539995; PubChem:CID142599782
|
Local ready
Direct docking supported
|
|
E3L024069
BDB024069
|
US11261170, Example 20
COc1ccc2nc(Cl)c(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)cc2c1
|
C25H24ClNO5 453.922000 |
XDYHXRDFLFNION-RMKNXTFCSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539996; PubChem:CID152373778
|
Local ready
Direct docking supported
|
|
E3L024070
BDB024070
|
US11261170, Example 21
COc1ccc2nc(OC)c(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)cc2c1
|
C26H27NO6 449.503000 |
QMHGBBVBXXNNQG-JXMROGBWSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM539997; PubChem:CID142599783
|
Local ready
Direct docking supported
|
|
E3L024071
BDB024071
|
2-chloro-5-cyano-N-(2-phenylpyridin-4-yl)benzamide
N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(-c3ccccc3)c2)c1
|
C19H12ClN3O 333.778000 |
XVSGVXSDZDJXOR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541401; PubChem:CID138683214
|
Local ready
Direct docking supported
|
|
E3L024072
BDB024072
|
2-chloro-5-cyano-N-(6-phenylpyridin-3-yl)benzamide
N#Cc1ccc(Cl)c(C(=O)Nc2cccnc2-c2ccccc2)c1
|
C19H12ClN3O 333.778000 |
AJPASNZCRNZWIO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541402; PubChem:CID164515037
|
Local ready
Direct docking supported
|
|
E3L024073
BDB024073
|
US11267808, Example 3
N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(-c3ccc(F)cc3)c2)c1
|
C19H11ClFN3O 351.768000 |
UKCGDGKTTVAQOP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541403; PubChem:CID138683243
|
Local ready
Direct docking supported
|
|
E3L024074
BDB024074
|
BDBM541404
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccc(F)cc3)nc2)c1
|
C19H11ClFN3O 351.768000 |
JSIYZQMPAFENOC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541404; PubChem:CID138683245
|
Local ready
Direct docking supported
|
|
E3L024075
BDB024075
|
US11267808, Example 5
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3cccnc3)nc2)c1
|
C18H11ClN4O 334.766000 |
LUSQIIUMTNCOSE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541405; PubChem:CID138683219
|
Local ready
Direct docking supported
|
|
E3L024076
BDB024076
|
US11267808, Example 6
N#Cc1ccc(Cl)c(C(=O)Nc2ccnc(-c3cccnc3)c2)c1
|
C18H11ClN4O 334.766000 |
IEQRMYIAJBHDFX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541406; PubChem:CID138683212
|
Local ready
Direct docking supported
|
|
E3L024077
BDB024077
|
US11267808, Example 7
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccncc3)nc2)c1
|
C18H11ClN4O 334.766000 |
WQTCTKYOULRKNS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541407; PubChem:CID138683234
|
Local ready
Direct docking supported
|
|
E3L024078
BDB024078
|
US11267808, Example 9
N#Cc1ccc(F)c(C(=O)Nc2ccc(-c3cccnc3)nc2)c1
|
C18H11FN4O 318.311000 |
UDJPLVJATJOOFA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541408; PubChem:CID138683220
|
Local ready
Direct docking supported
|
|
E3L024079
BDB024079
|
BDBM541409
N#Cc1ccc(F)c(C(=O)Nc2ccc(-c3ccc(F)cc3)nc2)c1
|
C19H11F2N3O 335.313000 |
AEFBHHOMHOBMRL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541409; PubChem:CID138683244
|
Local ready
Direct docking supported
|
|
E3L024080
BDB024080
|
N-([2,2'-bipyridin]-5-yl)-2-chloro-5-cyanobenzamide
N#Cc1ccc(Cl)c(C(=O)Nc2ccc(-c3ccccn3)nc2)c1
|
C18H11ClN4O 334.766000 |
HSWJQQXVPVALPE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM541410; PubChem:CID138683242
|
Local ready
Direct docking supported
|