| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048801
BDB048801
|
2-(2,3-diphenyl-1H-indol-5-yl)acetic acid
O=C(O)Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1
|
C22H17NO2 327.383000 |
ZXOGUOKCMZNGQN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217322; PubChem:CID44341161
|
Local ready
Direct docking supported
|
|
E3L048802
BDB048802
|
BDBM50217323
O=C(O)CCc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1
|
C25H23NO2 369.464000 |
DNAVCEWWLVSXHU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217323; PubChem:CID44341160
|
Local ready
Direct docking supported
|
|
E3L048803
BDB048803
|
2-[2-phenyl-3-(2-phenylethyl)-1H-indol-5-yl]acetic acid
O=C(O)Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1
|
C24H21NO2 355.437000 |
PMROJGOCNAZGOC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217324; PubChem:CID9863468
|
Local ready
Direct docking supported
|
|
E3L048804
BDB048804
|
BDBM50217325
Cn1c(-c2ccccc2)c(CCc2ccccc2)c2cc(OCC(=O)O)ccc21
|
C25H23NO3 385.463000 |
VTDXYMJBZWZUKX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217325; PubChem:CID44341104
|
Local ready
Direct docking supported
|
|
E3L048805
BDB048805
|
BDBM50217326
O=C1CSC(=O)N1Cc1ccc2[nH]c(-c3ccccc3)c(CCc3ccccc3)c2c1
|
C26H22N2O2S 426.541000 |
SANVBTUOCRVCNP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217326; PubChem:CID44341151
|
Local ready
Direct docking supported
|
|
E3L048806
BDB048806
|
BDBM50217327
O=C(O)Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCc3ccc(F)cc3)c2c1
|
C24H19F2NO2 391.417000 |
SQYVDOZLQKXMLV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217327; PubChem:CID44341362
|
Local ready
Direct docking supported
|
|
E3L048807
BDB048807
|
2-(2-phenyl-3-propyl-1H-indol-5-yl)acetic acid
CCCc1c(-c2ccccc2)[nH]c2ccc(CC(=O)O)cc12
|
C19H19NO2 293.366000 |
KTUCGDFKCLFWOU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217328; PubChem:CID9796107
|
Local ready
Direct docking supported
|
|
E3L048808
BDB048808
|
2-phenyl-3-propyl-1H-indole-5-carboxylic acid
CCCc1c(-c2ccccc2)[nH]c2ccc(C(=O)O)cc12
|
C18H17NO2 279.339000 |
ZWRNYSQQQUDQKR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217329; PubChem:CID2772783
|
Local ready
Direct docking supported
|
|
E3L048809
BDB048809
|
BDBM50217851
CCOC(=O)c1c(-c2ncc[nH]2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C25H25N3O4 431.492000 |
IMIUXOYPGQWAHG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217851
|
Local ready
Direct docking supported
|
|
E3L048810
BDB048810
|
BDBM50217852
CCOC(=O)c1c(-c2ccsc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C26H25NO4S 447.556000 |
AVQMMWKPEULFDO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217852
|
Local ready
Direct docking supported
|
|
E3L048811
BDB048811
|
BDBM50217853
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C28H27NO4 441.527000 |
WLPQARRSLMNKTQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217853
|
Local ready
Direct docking supported
|
|
E3L048812
BDB048812
|
BDBM50217854
CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](C)=O
|
C20H19NO4 337.375000 |
QICWAISYJVZZOZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217854
|
Local ready
Direct docking supported
|
|
E3L048813
BDB048813
|
BDBM50217855
CCOC(=O)c1c(-c2ccc(Cl)cc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C28H26ClNO4 475.972000 |
YMHHLUBDQBYDED-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217855
|
Local ready
Direct docking supported
|
|
E3L048814
BDB048814
|
BDBM50217856
CCOC(=O)c1c(-c2ccccc2)c2ccc(OCCC34CC5CC(CC(C5)C3)C4)cc2[c-]1[N+](C)=O
|
C31H35NO4 485.624000 |
DWKPGZKNTZARRC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217856
|
Local ready
Direct docking supported
|
|
E3L048815
BDB048815
|
BDBM50217857
CCOC(=O)c1c(-c2ccoc2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C26H25NO5 431.488000 |
XNTMLZUPHJCKBD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217857
|
Local ready
Direct docking supported
|
|
E3L048816
BDB048816
|
BDBM50217858
CC(C)OC(=O)c1c(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc2[c-]1[N+](C)=O
|
C26H30N2O5 450.535000 |
HZJGOJRFUQKQFO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217858
|
Local ready
Direct docking supported
|
|
E3L048817
BDB048817
|
BDBM50217859
C[N+](=O)[c-]1cc(-c2ccccc2)c2ccc(OCCN3CCOCC3)cc21
|
C22H24N2O3 364.445000 |
VMNAVSTWRINRKP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50217859; PubChem:CID140093711
|
Local ready
Direct docking supported
|
|
E3L048818
BDB048818
|
BDBM50217860
CCOC(=O)c1c(-c2cccc(C)c2)c2ccc(OCCCc3ccccc3)cc2[c-]1[N+](C)=O
|
C29H29NO4 455.554000 |
YWLHCBDNRJLZCC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217860
|
Local ready
Direct docking supported
|
|
E3L048819
BDB048819
|
BDBM50217861
CCOC(=O)c1c(-c2ccccc2)c2ccc(OC/C=C/c3ccccc3)cc2[c-]1[N+](C)=O
|
C28H25NO4 439.511000 |
JNEKKRPEDXNPKN-DIWPZQMISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217861
|
Local ready
Direct docking supported
|
|
E3L048820
BDB048820
|
BDBM50217862
CCOC(=O)c1c(-c2ccccc2)c2ccc(OC)cc2[c-]1[N+](=O)Cc1ccccc1
|
C26H23NO4 413.473000 |
IZTWFXHORIFBSE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50217862
|
Local ready
Direct docking supported
|