| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060941
BDB060941
|
BDBM50571569
Cc1noc(C)c1-c1ccc2nc(-c3ccc(N4CCN(C(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@@H]65)CC4)cc3)c(NC3CCCCC3)n2c1
|
C53H76N10O8S 1013.320000 |
RJRNVKXQTFYPOB-DNAHZZCBSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB
BindingDB:BDBM50571569
|
Local ready
Direct docking supported
|
|
E3L060942
BDB060942
|
BDBM50571811
COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(N)cc3)c3ccccc23)cc1
|
C27H27N5O7S2 597.675000 |
DFIZGWXPFCOCFG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50571811; PubChem:CID164513524
|
Local ready
Direct docking supported
|
|
E3L060943
BDB060943
|
BDBM50572138
Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)Nc2ccccc2)C(=O)O)cc1
|
C18H20N2O5S 376.434000 |
DBMDZEIFUPPLEW-INIZCTEOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572138; PubChem:CID92299089
|
Local ready
Direct docking supported
|
|
E3L060944
BDB060944
|
BDBM50572139
COc1ccc(NC(=O)CC[C@H](NS(=O)(=O)c2ccc(C)cc2)C(=O)O)cc1
|
C19H22N2O6S 406.460000 |
XWGPJKXWJARXBD-KRWDZBQOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572139; PubChem:CID92299088
|
Local ready
Direct docking supported
|
|
E3L060945
BDB060945
|
BDBM50572140
C/C(CC(=O)Nc1ccc(C)cc1C)=N\NC(=N)N
|
C13H19N5O 261.329000 |
GEVFDYOKUQZCAJ-LICLKQGHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572140; PubChem:CID9571299
|
Local ready
Direct docking supported
|
|
E3L060946
BDB060946
|
BDBM50572141
O=C(Nc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1Cl
|
C25H18ClN3O3 443.890000 |
WZQMWKFNTLYORF-JFLMPSFJSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572141; PubChem:CID135539695
|
Local ready
Direct docking supported
|
|
E3L060947
BDB060947
|
BDBM50572142
CC(=O)c1cc(C(C)=O)c(CC(=O)C(=O)Nc2cccc(C)c2C)cc1CC(=O)C(=O)Nc1cccc(C)c1C
|
C32H32N2O6 540.616000 |
VIINTXKLQRVRAV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572142; PubChem:CID164623087
|
Local ready
Direct docking supported
|
|
E3L060948
BDB060948
|
BDBM50572143
COc1ccc(O)c(/C=N/c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1
|
C21H20N2O4S 396.468000 |
HOZUZQCGQCUPSG-HYARGMPZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50572143
|
Local ready
Direct docking supported
|
|
E3L060949
BDB060949
|
[5-(Benzoyloxymethyl)phenanthren-4-yl]methyl benzoate
O=C(OCc1cccc2ccc3cccc(COC(=O)c4ccccc4)c3c12)c1ccccc1
|
C30H22O4 446.502000 |
USMCYEPEYOCYEO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572144; PubChem:CID349015
|
Local ready
Direct docking supported
|
|
E3L060950
BDB060950
|
BDBM50572145
COc1ccc(OC)c(NC(=O)c2cc3ccccc3cc2OC(=O)Nc2cc(Cl)ccc2OC)c1
|
C27H23ClN2O6 506.942000 |
OBQXUGIKVLVKAT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572145; PubChem:CID427011
|
Local ready
Direct docking supported
|
|
E3L060951
BDB060951
|
BDBM50572146
COc1ccccc1OC[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1
|
C23H22ClNO4 411.885000 |
NUEYNCYZLMDDHY-GOSISDBHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572146; PubChem:CID92147918
|
Local ready
Direct docking supported
|
|
E3L060952
BDB060952
|
BDBM50572147
O=C1C=C(Nc2ccccc2C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2C1=O
|
C26H16Cl2N2O5 507.329000 |
ZLIKMIMZJKADTK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572147; PubChem:CID369480
|
Local ready
Direct docking supported
|
|
E3L060953
BDB060953
|
BDBM50572148
CC(/C=N/Nc1ccc(S(=O)(=O)/N=C/C(C)=C/c2ccccc2)cc1)=C\c1ccccc1
|
C26H25N3O2S 443.572000 |
NVBCYDGOABSMGL-YMAQYZRWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572148; PubChem:CID164628877
|
Local ready
Direct docking supported
|
|
E3L060954
BDB060954
|
BDBM50572149
O=C(CCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C/c1ccc2ccccc2c1
|
C27H24N4O2 436.515000 |
HZENJLBMQOKQOU-UOSOPFLXSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572149; PubChem:CID164626203
|
Local ready
Direct docking supported
|
|
E3L060955
BDB060955
|
BDBM50572150
CCN(CC)c1ccc(CN(CC(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc2)cc1
|
C26H28Cl2N2O 455.429000 |
UESJKJPQJYLSQP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572150; PubChem:CID408014
|
Local ready
Direct docking supported
|
|
E3L060956
BDB060956
|
BDBM50572151
O=C(CCCOc1ccc(Cl)cc1Cl)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
|
C21H20Cl2N2O4 435.307000 |
RDJPYQPSKKRADR-SFHVURJKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572151; PubChem:CID92167033
|
Local ready
Direct docking supported
|
|
E3L060957
BDB060957
|
BDBM50572152
O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12
|
C22H22N4O4S4 534.710000 |
NPEZKTHSFUYYQD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572152; PubChem:CID321617
|
Local ready
Direct docking supported
|
|
E3L060958
BDB060958
|
Mls000737281
COc1cc(OC)c2c(=O)cc(-c3cccnc3)oc2c1
|
C16H13NO4 283.283000 |
ASSFUYQPLYOOJK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572153; PubChem:CID242587
|
Local ready
Direct docking supported
|
|
E3L060959
BDB060959
|
BDBM50572154
O=C(CNC(=O)Nc1ccc(NC(=O)NCC(=O)Nc2ccc(C3=NCCN3)cc2)cc1)Nc1ccc(C2=NCCN2)cc1
|
C30H32N10O4 596.652000 |
PZRLCRMZASNWID-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572154; PubChem:CID416447
|
Local ready
Direct docking supported
|
|
E3L060960
BDB060960
|
Bms-986318
O=C(O)c1cc(C(F)(F)F)c2cc(N3CCC4(C=C(c5c(-c6c(Cl)cncc6Cl)noc5C5CC5)C4)CC3)ccc2n1
|
C30H23Cl2F3N4O3 615.439000 |
WPGAVSDZYIRUGE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50572221; PubChem:CID138592025
|
Local ready
Direct docking supported
|