| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011181
BDB011181
|
BDBM235367
CCNC(=O)N1CCC(n2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cnc4c(OC)cccc4c32)CC1
|
C26H26ClN5O4 507.978000 |
RWLRTFPNLBUMPG-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235367; PubChem:CID58329443
|
Local ready
Direct docking supported
|
|
E3L011182
BDB011182
|
BDBM235368
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(C(=O)NC(C)C)CC3)c12
|
C27H28ClN5O4 522.005000 |
IEYGNATYSGSBRX-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235368; PubChem:CID58329403
|
Local ready
Direct docking supported
|
|
E3L011183
BDB011183
|
BDBM235369
COc1cccc2c1ncc1c(=O)n(-c3ccccc3Cl)c(=O)n(C3CCC(C)CC3)c12
|
C25H24ClN3O3 449.938000 |
OIRXJBOZVQMRJB-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235369; PubChem:CID58329438
|
Local ready
Direct docking supported
|
|
E3L011184
BDB011184
|
BDBM235370
COc1cccc2c1ncc1c(=O)n(-c3ccc(Cl)cc3)c(=O)n(C3CCC(C)CC3)c12
|
C25H24ClN3O3 449.938000 |
ZRGJKRMJNFVOLW-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235370; PubChem:CID58329470
|
Local ready
Direct docking supported
|
|
E3L011185
BDB011185
|
BDBM235374
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCCCC3)c12
|
C24H22ClN3O3 435.911000 |
BOWZLOCTDYTWKK-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235374; PubChem:CID58329474
|
Local ready
Direct docking supported
|
|
E3L011186
BDB011186
|
BDBM235375
COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c12
|
C29H30N4O7 546.580000 |
MYNFJASRUQCJTA-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235375; PubChem:CID58329465
|
Local ready
Direct docking supported
|
|
E3L011187
BDB011187
|
BDBM235376
COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCNCC3)c12
|
C24H22N4O5 446.463000 |
LEKCAWLPDVDUQR-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235376; PubChem:CID58329449
|
Local ready
Direct docking supported
|
|
E3L011188
BDB011188
|
BDBM235377
COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCN(S(C)(=O)=O)CC3)c12
|
C25H24N4O7S 524.555000 |
UFKSSXQQJYIWAM-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235377; PubChem:CID58329380
|
Local ready
Direct docking supported
|
|
E3L011189
BDB011189
|
BDBM235378
COc1cccc2c1ncc1c(=O)n(-c3cccc(C#N)c3)c(=O)n(C3CCCC3)c12
|
C24H20N4O3 412.449000 |
RQVALWJXDPCRBH-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235378; PubChem:CID44187609
|
Local ready
Direct docking supported
|
|
E3L011190
BDB011190
|
BDBM235379
COc1cccc2c1ncc1c(=O)n(-c3cccc(SC)c3)c(=O)n(C3CCCC3)c12
|
C24H23N3O3S 433.533000 |
ZWHJGDGKNAKKAK-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235379; PubChem:CID44187610
|
Local ready
Direct docking supported
|
|
E3L011191
BDB011191
|
BDBM235380
COc1cccc2c1ncc1c(=O)n(-c3cccc(S(C)(=O)=O)c3)c(=O)n(C3CCCC3)c12
|
C24H23N3O5S 465.531000 |
LTRCCXKUSQMIAV-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235380; PubChem:CID58329412
|
Local ready
Direct docking supported
|
|
E3L011192
BDB011192
|
US10085990, Example 113
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c12
|
C27H27ClN4O5 522.989000 |
CTKRVYLHFHYHOK-GOSISDBHSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235381; PubChem:CID58329446
|
Local ready
Direct docking supported
|
|
E3L011193
BDB011193
|
BDBM235382
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n([C@@H]3CCNC3)c12
|
C22H19ClN4O3 422.872000 |
PEPXWYFVYAYCEQ-OAHLLOKOSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235382; PubChem:CID58329442
|
Local ready
Direct docking supported
|
|
E3L011194
BDB011194
|
BDBM235383
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n([C@H]3CCN(C(=O)OC(C)(C)C)C3)c12
|
C27H27ClN4O5 522.989000 |
CTKRVYLHFHYHOK-SFHVURJKSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235383; PubChem:CID58329379
|
Local ready
Direct docking supported
|
|
E3L011195
BDB011195
|
BDBM235384
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n([C@H]3CCNC3)c12
|
C22H19ClN4O3 422.872000 |
PEPXWYFVYAYCEQ-HNNXBMFYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235384; PubChem:CID58329381
|
Local ready
Direct docking supported
|
|
E3L011196
BDB011196
|
BDBM235386
COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)n(C3CCCC3)c12
|
C25H23N3O5 445.475000 |
FUOSKBKPXMUPKQ-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235386; PubChem:CID58329469
|
Local ready
Direct docking supported
|
|
E3L011197
BDB011197
|
BDBM235388
COC(=O)N1CCC(n2c(=O)n(-c3cccc(Cl)c3)c(=O)c3cnc4c(OC)cccc4c32)CC1
|
C25H23ClN4O5 494.935000 |
NZIWLTJRFGAVRA-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235388; PubChem:CID58329377
|
Local ready
Direct docking supported
|
|
E3L011198
BDB011198
|
BDBM235390
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(CC3CCN(S(C)(=O)=O)CC3)c12
|
C25H25ClN4O5S 529.018000 |
PYZDPPRYPHIHCL-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235390; PubChem:CID58329459
|
Local ready
Direct docking supported
|
|
E3L011199
BDB011199
|
BDBM236248
COc1ccccc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O
|
C29H25Cl2FN2O2 523.435000 |
HPUAUMBBZXSYGE-UHFFFAOYSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236248; PubChem:CID72205725
|
Local ready
Direct docking supported
|
|
E3L011200
BDB011200
|
BDBM236249
CNC(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2C)N(c2cccc(Cl)c2F)C3=O)c1
|
C31H28Cl2FN3O3 580.487000 |
CJCXKFFSPDPEDJ-UHFFFAOYSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236249; PubChem:CID72205726
|
Local ready
Direct docking supported
|