| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007081
BDB007081
|
BDBM161095
COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)c(OC)c1
|
C25H22F2N2O3 436.458000 |
LBIUFFPIGSGAGA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161095; PubChem:CID50897572
|
Local ready
Direct docking supported
|
|
E3L007082
BDB007082
|
BDBM161096
O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
|
C24H17F5N2O2 460.402000 |
GENQANXQVPXRHK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161096; PubChem:CID50897573
|
Local ready
Direct docking supported
|
|
E3L007083
BDB007083
|
BDBM161097
COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1OC
|
C25H22F2N2O3 436.458000 |
RMFYBVHPLLDKLH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161097; PubChem:CID50897568
|
Local ready
Direct docking supported
|
|
E3L007084
BDB007084
|
BDBM161098
C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1
|
C24H19F2N3O3 435.430000 |
YIZXDBJRSMOKCY-HNNXBMFYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161098; PubChem:CID50897574
|
Local ready
Direct docking supported
|
|
E3L007085
BDB007085
|
BDBM161099
C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(Br)cc1
|
C24H19BrF2N2O 469.329000 |
MODPXTHGDAFMRM-HNNXBMFYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161099; PubChem:CID50897569
|
Local ready
Direct docking supported
|
|
E3L007086
BDB007086
|
BDBM161101
C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(Br)cc1
|
C24H19BrF2N2O 469.329000 |
MODPXTHGDAFMRM-OAHLLOKOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161101; PubChem:CID50904181
|
Local ready
Direct docking supported
|
|
E3L007087
BDB007087
|
BDBM161102
CCC(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1
|
C25H22F2N2O 404.460000 |
DXAXGTUMUWQTQY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161102; PubChem:CID50904178
|
Local ready
Direct docking supported
|
|
E3L007088
BDB007088
|
BDBM161103
O=C(NCc1ccccc1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
|
C23H18F2N2O 376.406000 |
SEBDQZFHHSFVFV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161103; PubChem:CID50904176
|
Local ready
Direct docking supported
|
|
E3L007089
BDB007089
|
BDBM161104
C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1
|
C24H19F2N3O3 435.430000 |
YIZXDBJRSMOKCY-OAHLLOKOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161104; PubChem:CID50904177
|
Local ready
Direct docking supported
|
|
E3L007090
BDB007090
|
BDBM161105
CC(C)(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1
|
C25H22F2N2O 404.460000 |
SJCBETLHYFGQOI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161105; PubChem:CID50904175
|
Local ready
Direct docking supported
|
|
E3L007091
BDB007091
|
BDBM161106
O=C(NCc1cccs1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
|
C21H16F2N2OS 382.435000 |
XPNILBRDAXGICK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161106; PubChem:CID50904170
|
Local ready
Direct docking supported
|
|
E3L007092
BDB007092
|
BDBM161108
O=C(NCC1COc2ccccc2O1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
|
C25H20F2N2O3 434.442000 |
LNHXUVCYXUBELO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161108; PubChem:CID50904172
|
Local ready
Direct docking supported
|
|
E3L007093
BDB007093
|
BDBM161109
CC(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1cccc2ccccc12
|
C28H22F2N2O 440.493000 |
WKDRWTMPOTUIGR-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161109; PubChem:CID50904173
|
Local ready
Direct docking supported
|
|
E3L007094
BDB007094
|
BDBM161110
C[C@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(F)cc1
|
C24H19F3N2O 408.423000 |
BZCVWUCLNMTRBT-HNNXBMFYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161110; PubChem:CID50904169
|
Local ready
Direct docking supported
|
|
E3L007095
BDB007095
|
BDBM161111
C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc(F)cc1
|
C24H19F3N2O 408.423000 |
BZCVWUCLNMTRBT-OAHLLOKOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161111; PubChem:CID50904180
|
Local ready
Direct docking supported
|
|
E3L007096
BDB007096
|
BDBM161112
O=C(NC1CCCC1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
|
C21H20F2N2O 354.400000 |
LDTQNSGLVBQVKQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161112; PubChem:CID50904171
|
Local ready
Direct docking supported
|
|
E3L007097
BDB007097
|
BDBM161113
O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
|
C25H20F2N2O 402.444000 |
FCDDSRNKKNDFIA-JTHBVZDNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161113; PubChem:CID50904174
|
Local ready
Direct docking supported
|
|
E3L007098
BDB007098
|
BDBM161114
Nc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1
|
C23H19F2N3O 391.421000 |
UNXIJXSXWWHSNU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161114; PubChem:CID50919234
|
Local ready
Direct docking supported
|
|
E3L007099
BDB007099
|
BDBM161115
CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(F)cc1F)c1ccccc1
|
C27H26F2N2O 432.514000 |
BLRMZPQNLCVHEV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161115; PubChem:CID71075321
|
Local ready
Direct docking supported
|
|
E3L007100
BDB007100
|
BDBM161116
CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1)c1ccccc1
|
C27H27ClN2O 430.979000 |
GHEAQIVVPNEMLM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM161116; PubChem:CID53239858
|
Local ready
Direct docking supported
|