| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051141
BDB051141
|
BDBM50290272
C/C=C/CC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C17H20N2O4S 348.424000 |
XNLSLPYZLRLIDV-NSCUHMNNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290272; PubChem:CID91934539
|
Local ready
Direct docking supported
|
|
E3L051142
BDB051142
|
BDBM50290273
CC/C=C/C(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C18H22N2O4S 362.451000 |
BYRCAYNSOOEWFI-SNAWJCMRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290273; PubChem:CID91934540
|
Local ready
Direct docking supported
|
|
E3L051143
BDB051143
|
BDBM50290274
C=CCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C18H22N2O4S 362.451000 |
ODVPZMWCNNISII-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290274; PubChem:CID91934541
|
Local ready
Direct docking supported
|
|
E3L051144
BDB051144
|
BDBM50290275
CCCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C21H30N2O4S 406.548000 |
BSBJNMJTLTWXEB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290275; PubChem:CID91934542
|
Local ready
Direct docking supported
|
|
E3L051145
BDB051145
|
BDBM50290276
CCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C19H26N2O4S 378.494000 |
HCMZJNAMDZOHMA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290276; PubChem:CID91934543
|
Local ready
Direct docking supported
|
|
E3L051146
BDB051146
|
BDBM50290277
CC/C=C/C(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C17H20N2O4S 348.424000 |
CDBVAWPUSWVCEM-ONEGZZNKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290277; PubChem:CID91934544
|
Local ready
Direct docking supported
|
|
E3L051147
BDB051147
|
BDBM50290278
C/C=C/CC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C18H22N2O4S 362.451000 |
BDFGTWPACRAULO-ONEGZZNKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290278; PubChem:CID91934545
|
Local ready
Direct docking supported
|
|
E3L051148
BDB051148
|
BDBM50290279
C=CCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C17H20N2O4S 348.424000 |
ITEIPWYIGUENJY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290279; PubChem:CID91934546
|
Local ready
Direct docking supported
|
|
E3L051149
BDB051149
|
BDBM50290280
C=CCC/C=C/C(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C20H24N2O4S 388.489000 |
BOBXZYNLIADJDV-VOTSOKGWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290280; PubChem:CID91934547
|
Local ready
Direct docking supported
|
|
E3L051150
BDB051150
|
BDBM50290281
CCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C20H28N2O4S 392.521000 |
SRDQNLOXKCNZRJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290281; PubChem:CID91934548
|
Local ready
Direct docking supported
|
|
E3L051151
BDB051151
|
BDBM50290282
CCCCCCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C22H32N2O4S 420.575000 |
WOAXBIAWQUQNGA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290282; PubChem:CID91934549
|
Local ready
Direct docking supported
|
|
E3L051152
BDB051152
|
BDBM50290283
CCCCCCCCCC(=O)N(C)CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C23H34N2O4S 434.602000 |
MLIXTPYTYMMVJG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290283; PubChem:CID91934550
|
Local ready
Direct docking supported
|
|
E3L051153
BDB051153
|
BDBM50290284
CCCCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C20H28N2O4S 392.521000 |
KNGXFMMWJJNPQF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290284; PubChem:CID91934551
|
Local ready
Direct docking supported
|
|
E3L051154
BDB051154
|
BDBM50290285
CCCCCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C21H30N2O4S 406.548000 |
ICKQLRJAGUFTLK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290285; PubChem:CID91934552
|
Local ready
Direct docking supported
|
|
E3L051155
BDB051155
|
BDBM50290286
CCCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C18H24N2O4S 364.467000 |
RXELPHIQNIYFNB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290286; PubChem:CID91934553
|
Local ready
Direct docking supported
|
|
E3L051156
BDB051156
|
(5Z,8Z,11Z,14E)-Icosa-5,8,11,14-tetraenoic acid
CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O
|
C20H32O2 304.474000 |
YZXBAPSDXZZRGB-QGDKPUJISA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290287; PubChem:CID12111897
|
Local ready
Direct docking supported
|
|
E3L051157
BDB051157
|
BDBM50290288
CCCCC(=O)NCCOc1ccc(Cc2sc(=O)[nH]c2O)cc1
|
C17H22N2O4S 350.440000 |
BMZLHXLXOAQVPB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50290288; PubChem:CID91934554
|
Local ready
Direct docking supported
|
|
E3L051158
BDB051158
|
BDBM50290645
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1cccc(OCC(=O)OC)c1)C(C)C
|
C25H42N2O5 450.620000 |
OLMQMOJNMDACJI-VLSUOOLDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290645; PubChem:CID10366523
|
Local ready
Direct docking supported
|
|
E3L051159
BDB051159
|
BDBM50290646
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)C
|
C26H46N2O2 418.666000 |
XFDGPYVXJCRQFZ-SFWWNVFWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290646; PubChem:CID9802155
|
Local ready
Direct docking supported
|
|
E3L051160
BDB051160
|
BDBM50290647
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](CC)Cc1ccc(C(C)(C)C)cc1
|
C25H44N2O2 404.639000 |
GVTQVJCNZQGOEE-QDBULNLFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290647; PubChem:CID44325393
|
Local ready
Direct docking supported
|