| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007121
BDB007121
|
PPAR|A modulator-1
Cc1c(C)n(Cc2cccc(OC(C)(C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
|
C34H40N2O4 540.704000 |
DLXSTRGKTJFVEB-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161140; PubChem:CID71075641
|
Local ready
Direct docking supported
|
|
E3L007122
BDB007122
|
BDBM161141
Cc1c(C)n(Cc2cccc(OCC#N)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
|
C31H33N3O2 479.624000 |
DAKOWALUPNTUFV-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161141; PubChem:CID71075282
|
Local ready
Direct docking supported
|
|
E3L007123
BDB007123
|
BDBM161142
Cc1c(C)n(Cc2cccc(OCC#N)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
|
C32H35N3O2 493.651000 |
KOPWVPOPACIYDR-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161142; PubChem:CID71075706
|
Local ready
Direct docking supported
|
|
E3L007124
BDB007124
|
BDBM161143
Cc1c(C)n(Cc2ccc(O[C@@H](C)C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
|
C32H36N2O4 512.650000 |
MXOHVGBFHYSDRF-GMAHTHKFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161143; PubChem:CID71075659
|
Local ready
Direct docking supported
|
|
E3L007125
BDB007125
|
BDBM161145
Cc1c(C)n(Cc2ccc(O[C@H](C)C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
|
C32H36N2O4 512.650000 |
MXOHVGBFHYSDRF-JTHBVZDNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161145; PubChem:CID71075481
|
Local ready
Direct docking supported
|
|
E3L007126
BDB007126
|
BDBM161146
Cc1c(C)n(Cc2ccc(OC(C)(C)C(=O)O)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
|
C33H38N2O4 526.677000 |
YQABQIQJIOZHPN-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161146; PubChem:CID71075113
|
Local ready
Direct docking supported
|
|
E3L007127
BDB007127
|
BDBM161147
Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
|
C32H35ClN2O4 547.095000 |
SJCVXAOIEVAKQO-UNMCSNQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161147; PubChem:CID71075579
|
Local ready
Direct docking supported
|
|
E3L007128
BDB007128
|
BDBM161148
Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12
|
C32H33ClN2O4 545.079000 |
KKZGYXXIYIKUJK-FPOVZHCZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161148; PubChem:CID71075634
|
Local ready
Direct docking supported
|
|
E3L007129
BDB007129
|
BDBM161149
Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12
|
C29H28BrClN2O4 583.910000 |
ODGSDUIOJXTQJF-HKUYNNGSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161149; PubChem:CID71075365
|
Local ready
Direct docking supported
|
|
E3L007130
BDB007130
|
BDBM161150
Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
|
C33H37ClN2O4 561.122000 |
NPMSSJHJPGMEJW-UNMCSNQZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM161150; PubChem:CID71075102
|
Local ready
Direct docking supported
|
|
E3L007131
BDB007131
|
BDBM161151
Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12
|
C33H37ClN2O4 561.122000 |
KRXDIBIZFQXWGE-UNMCSNQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161151; PubChem:CID71075686
|
Local ready
Direct docking supported
|
|
E3L007132
BDB007132
|
BDBM161152
Cc1c(C)n(Cc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12
|
C32H35ClN2O5 563.094000 |
RUTFUHSPYBUOSP-UNMCSNQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161152; PubChem:CID71075141
|
Local ready
Direct docking supported
|
|
E3L007133
BDB007133
|
BDBM161153
Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12
|
C32H35ClN2O4 547.095000 |
RBPPDBMDXPPKBU-UNMCSNQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161153; PubChem:CID71075558
|
Local ready
Direct docking supported
|
|
E3L007134
BDB007134
|
BDBM161154
Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12
|
C32H33ClN2O4 545.079000 |
BWSVTVVRQBRYCG-FPOVZHCZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161154; PubChem:CID71075606
|
Local ready
Direct docking supported
|
|
E3L007135
BDB007135
|
BDBM161155
Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12
|
C29H28BrClN2O4 583.910000 |
HXJBOSQWCBRBJK-HKUYNNGSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161155; PubChem:CID71075740
|
Local ready
Direct docking supported
|
|
E3L007136
BDB007136
|
BDBM161156
Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
|
C33H37ClN2O4 561.122000 |
VFKLWVWYBVKXTA-UNMCSNQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161156; PubChem:CID71074932
|
Local ready
Direct docking supported
|
|
E3L007137
BDB007137
|
BDBM161157
Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12
|
C33H37ClN2O4 561.122000 |
BOOVJQGXQIGBIS-UNMCSNQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161157; PubChem:CID71075695
|
Local ready
Direct docking supported
|
|
E3L007138
BDB007138
|
BDBM161158
Cc1c(C)n(Cc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2ccc(C(=O)N[C@@H](C)c3cccc(OC(C)C)c3)cc12
|
C32H35ClN2O5 563.094000 |
KFKVWMMNAJUTDT-UNMCSNQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161158; PubChem:CID71075531
|
Local ready
Direct docking supported
|
|
E3L007139
BDB007139
|
BDBM161182
Cc1c(C)n(Cc2ccc(C3(C(=O)O)CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(Br)cc3)cc12
|
C30H29BrN2O3 545.477000 |
LEEDJQRWXKMKCB-IBGZPJMESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161182; PubChem:CID53338899
|
Local ready
Direct docking supported
|
|
E3L007140
BDB007140
|
BDBM161183
Cc1c(C)n(Cc2ccc(C3(C(=O)O)CC3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12
|
C33H36N2O3 508.662000 |
PXZRJMBINJHXGS-QFIPXVFZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161183; PubChem:CID53362011
|
Local ready
Direct docking supported
|