| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065121
BDB065121
|
Ajugacumbin A
C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1
|
C27H38O7 474.594000 |
TWZAPYCYRPQAOD-PIJHPVSDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646883; PubChem:CID14447801
|
Local ready
Direct docking supported
|
|
E3L065122
BDB065122
|
Ajugacumbin A Chlorohydrin
C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl
|
C27H39ClO7 511.055000 |
PUHCBNQOZVVESC-PIJHPVSDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646884; PubChem:CID56671987
|
Local ready
Direct docking supported
|
|
E3L065123
BDB065123
|
BDBM50646885
C/C=C(\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]2(O)CCl)C1=CC(=O)OC1
|
C29H41ClO9 569.091000 |
QHWINGHVOWLJAM-OEGSVNHNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646885
|
Local ready
Direct docking supported
|
|
E3L065124
BDB065124
|
BDBM50646886
C/C=C(\C)C(=O)OC[C@@]12[C@H](CCC[C@]1(O)CCl)[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2O
|
C25H37ClO6 469.018000 |
LDXGVWMPOIOESR-DONKYKGPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646886
|
Local ready
Direct docking supported
|
|
E3L065125
BDB065125
|
BDBM50646887
C/C=C(\C)C(=O)OC[C@@]12[C@H](CCC[C@]1(O)CCl)[C@@](C)(C[C@H](O)C1=CC(=O)OC1)[C@H](C)C[C@@H]2O
|
C25H37ClO7 485.017000 |
HOGDYFFKKJPIIJ-WVMXSOEESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646887
|
Local ready
Direct docking supported
|
|
E3L065126
BDB065126
|
BDBM50646888
CCC(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](O)[C@]2(C)[C@@H]1CCC[C@H]2C(=O)OC)C1=CC(=O)OC1
|
C26H40O7 464.599000 |
KZMSXGBARCOLED-TUEBXCRUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646888
|
Local ready
Direct docking supported
|
|
E3L065127
BDB065127
|
BDBM50646889
COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@H](OC(=O)C(C)C)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@]21C
|
C25H38O7 450.572000 |
ZNQDVHFJNBBCKK-KWQQYHHZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646889
|
Local ready
Direct docking supported
|
|
E3L065128
BDB065128
|
BDBM50646890
COC(=O)[C@@H]1CCC[C@@H]2[C@@](C)(C[C@@H]3OC(=O)C=C3CO)[C@H](C)C[C@H](O)[C@]21C
|
C21H32O6 380.481000 |
AUEWZPGKNLYDSV-WLOBYMLMSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646890
|
Local ready
Direct docking supported
|
|
E3L065129
BDB065129
|
BDBM50646891
C/C=C(\C)C(=O)OC[C@]12C(=O)CCC[C@@H]1[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)C[C@@H]2OC(C)=O
|
C26H36O7 460.567000 |
XBVQDBZRXLOQRK-OLXSTVHYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646891; PubChem:CID177378215
|
Local ready
Direct docking supported
|
|
E3L065130
BDB065130
|
BDBM50646892
C[C@@H]1C[C@H](O)[C@@]2(CO)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1
|
C19H28O5 336.428000 |
SXIWNCRXTPAHCC-IONYDWJHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646892; PubChem:CID177378216
|
Local ready
Direct docking supported
|
|
E3L065131
BDB065131
|
BDBM50646893
C[C@@H]1C[C@H](O)[C@@]2(COC(=O)c3ccc(C(F)(F)F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1
|
C27H31F3O6 508.533000 |
XKXUYHISNIFXHO-MLLMZSQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646893; PubChem:CID177378217
|
Local ready
Direct docking supported
|
|
E3L065132
BDB065132
|
BDBM50646894
C[C@@H]1C[C@H](O)[C@@]2(COC(=O)c3ccc(F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1
|
C26H31FO6 458.526000 |
XBGARFFTQGBODK-MLLMZSQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646894; PubChem:CID177378218
|
Local ready
Direct docking supported
|
|
E3L065133
BDB065133
|
BDBM50646895
C[C@@H]1C[C@H](O)[C@@]2(COC(=O)/C=C/c3ccc(C(F)(F)F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1
|
C29H33F3O6 534.571000 |
YAJDJPVFKZDVFR-VUPXMHGHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646895
|
Local ready
Direct docking supported
|
|
E3L065134
BDB065134
|
BDBM50646896
C[C@@H]1C[C@H](O)[C@@]2(COC(=O)/C=C/c3ccc(F)cc3)C(=O)CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1
|
C28H33FO6 484.564000 |
ZZNTUEYVPAPVEC-VUPXMHGHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646896
|
Local ready
Direct docking supported
|
|
E3L065135
BDB065135
|
BDBM50646897
C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@H]2C(=O)O
|
C27H38O8 490.593000 |
AEMCUCUGZLATNO-JUZLZRLVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646897
|
Local ready
Direct docking supported
|
|
E3L065136
BDB065136
|
BDBM50646898
C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)COC(C)=O
|
C29H42O9 534.646000 |
FQNLJTCBYDPXRQ-KRMQLTGNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646898
|
Local ready
Direct docking supported
|
|
E3L065137
BDB065137
|
BDBM50646899
CC(=O)O[C@H]1C[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@H]2CCCC(=O)[C@]12CO
|
C21H30O6 378.465000 |
FOGUWGQLFYJBRJ-GCFZGZLZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646899; PubChem:CID177378223
|
Local ready
Direct docking supported
|
|
E3L065138
BDB065138
|
BDBM50646900
C[C@@H]1C[C@H](O)[C@@]23COC[C@@H]2CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1
|
C20H30O4 334.456000 |
PMWLLTSRBKFSOM-MCYDHMDPSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646900; PubChem:CID177378224
|
Local ready
Direct docking supported
|
|
E3L065139
BDB065139
|
BDBM50646901
C/C=C(\C)C(=O)OC[C@]12C(=O)CCC[C@@H]1[C@@](C)(CCC1=CC(=O)OC1)[C@H](C)CC2=O
|
C24H32O6 416.514000 |
LZGYWROAVGZDHI-WYMRMTEXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50646901; PubChem:CID101686402
|
Local ready
Direct docking supported
|
|
E3L065140
BDB065140
|
BDBM50646902
C/C=C(\C)C(=O)OC[C@@]12C(=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]2(O)CCl
|
C25H35ClO6 467.002000 |
UJLLFFUDFMVGBN-SWMUMAEJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50646902
|
Local ready
Direct docking supported
|