| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011141
BDB011141
|
BDBM233178
O=C(O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCC(F)(F)F
|
C21H22F3NO4 409.404000 |
KLIWHGBENWNMCX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233178; PubChem:CID129010639
|
Local ready
Direct docking supported
|
|
E3L011142
BDB011142
|
BDBM233179
CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)NCCO
|
C24H32N2O4 412.530000 |
YYQQDWCGCGEYCT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233179; PubChem:CID129010640
|
Local ready
Direct docking supported
|
|
E3L011143
BDB011143
|
BDBM233180
CCCCCOc1nc2ccccc2cc1C(O)CC#CCOCC(=O)O
|
C21H25NO5 371.433000 |
NFSOWAFWHVJPER-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233180; PubChem:CID129010642
|
Local ready
Direct docking supported
|
|
E3L011144
BDB011144
|
BDBM233181
COc1nc2ccccc2cc1C(O)CC#CCOCC(=O)O
|
C17H17NO5 315.325000 |
WLZLZHXCGKRIFE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233181; PubChem:CID129010644
|
Local ready
Direct docking supported
|
|
E3L011145
BDB011145
|
BDBM233182
CCCCCOc1nc2c(ccc3ccccc32)cc1C(O)CC#CCCCC(=O)OC
|
C27H31NO4 433.548000 |
YWNPJGBWUUZSAX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233182; PubChem:CID129010645
|
Local ready
Direct docking supported
|
|
E3L011146
BDB011146
|
BDBM233183
CCCCCOc1nc2ccc(OC)cc2cc1C(O)CC#CCCCC(=O)O
|
C23H29NO5 399.487000 |
YFQBBBUKUFDTDH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233183; PubChem:CID129010647
|
Local ready
Direct docking supported
|
|
E3L011147
BDB011147
|
BDBM233184
CCCCCOc1nc2c(ccc3ccccc32)cc1C(O)CC#CCCCC(=O)O
|
C26H29NO4 419.521000 |
FLGVXXMYUBTDRV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM233184; PubChem:CID129010649
|
Local ready
Direct docking supported
|
|
E3L011148
BDB011148
|
BDBM235278
CCn1c(=O)c2cnc3c(OC)cccc3c2n(C2CCCC2)c1=O
|
C19H21N3O3 339.395000 |
SHXAYINEIAIQRK-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235278; PubChem:CID44187054
|
Local ready
Direct docking supported
|
|
E3L011149
BDB011149
|
BDBM235281
CCn1c(=O)c2cnc3c(OC)cccc3c2n(-c2ccc(OC)c(OC)c2)c1=O
|
C22H21N3O5 407.426000 |
HBWXXRCASVTUIK-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235281; PubChem:CID44187057
|
Local ready
Direct docking supported
|
|
E3L011150
BDB011150
|
BDBM235282
COc1cccc2c1ncc1c(=O)n(C(C)C)c(=O)n(C3CCCC3)c12
|
C20H23N3O3 353.422000 |
USNHXPAJBZXQCY-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235282; PubChem:CID58329391
|
Local ready
Direct docking supported
|
|
E3L011151
BDB011151
|
BDBM235287
COc1cccc2c1ncc1c(=O)n(-c3cccs3)c(=O)n(C3CCCC3)c12
|
C21H19N3O3S 393.468000 |
WEWXZCSTWDNTEE-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235287; PubChem:CID58329396
|
Local ready
Direct docking supported
|
|
E3L011152
BDB011152
|
BDBM235293
CCCn1c(=O)n(CC)c(=O)c2cnc3c(OC)cccc3c21
|
C17H19N3O3 313.357000 |
UUMJILIRWRRMQI-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235293; PubChem:CID58329458
|
Local ready
Direct docking supported
|
|
E3L011153
BDB011153
|
BDBM235294
CCCCn1c(=O)n(CC)c(=O)c2cnc3c(OC)cccc3c21
|
C18H21N3O3 327.384000 |
MYTFCNPKIZVZPE-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235294; PubChem:CID58329460
|
Local ready
Direct docking supported
|
|
E3L011154
BDB011154
|
BDBM235295
CCn1c(=O)c2cnc3c(OC)cccc3c2n(CC(C)C)c1=O
|
C18H21N3O3 327.384000 |
DSQGVLPQTIMWFJ-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235295; PubChem:CID58329439
|
Local ready
Direct docking supported
|
|
E3L011155
BDB011155
|
BDBM235305
CCn1c(=O)c2cnc3c(OC)cc(Cl)cc3c2n(C2CCCC2)c1=O
|
C19H20ClN3O3 373.840000 |
SJDNWMAHIOSFDW-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235305; PubChem:CID58329400
|
Local ready
Direct docking supported
|
|
E3L011156
BDB011156
|
BDBM235306
CCn1c(=O)c2cnc3c(OC)cc(F)cc3c2n(C2CCCC2)c1=O
|
C19H20FN3O3 357.385000 |
JZFDIZGFYOAGNF-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235306; PubChem:CID58329434
|
Local ready
Direct docking supported
|
|
E3L011157
BDB011157
|
BDBM235308
CCn1c(=O)c2cnc3c(OC(F)(F)F)cccc3c2n(C2CCCC2)c1=O
|
C19H18F3N3O3 393.365000 |
LQKZFQQCAIABHJ-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235308; PubChem:CID58329462
|
Local ready
Direct docking supported
|
|
E3L011158
BDB011158
|
BDBM235311
CCn1c(=O)c2cnc3c(OC)cccc3c2n(C(C)C)c1=O
|
C17H19N3O3 313.357000 |
OCWUAPKGIXHEQM-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235311; PubChem:CID58329414
|
Local ready
Direct docking supported
|
|
E3L011159
BDB011159
|
BDBM235312
CCC(C)n1c(=O)c2cnc3c(OC)cccc3c2n(C2CCCC2)c1=O
|
C21H25N3O3 367.449000 |
NBFTZVSMVCSLPI-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235312; PubChem:CID58329445
|
Local ready
Direct docking supported
|
|
E3L011160
BDB011160
|
BDBM235313
COc1cccc2c1ncc1c(=O)n(-c3ccccc3)c(=O)n(C3CCCC3)c12
|
C23H21N3O3 387.439000 |
RSCKXYMEBLRFKV-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235313; PubChem:CID58329401
|
Local ready
Direct docking supported
|