| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011161
BDB011161
|
BDBM235315
CCn1c(=O)c2cnc3c(C)cccc3c2n(C2CCCC2)c1=O
|
C19H21N3O2 323.396000 |
UPWIYKDVUPWFNE-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235315; PubChem:CID58329392
|
Local ready
Direct docking supported
|
|
E3L011162
BDB011162
|
BDBM235319
CCn1c(=O)c2cnc3c(OC)cccc3c2n(C2CCC(C)CC2)c1=O
|
C21H25N3O3 367.449000 |
DLVHYSMNJZZBJZ-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235319; PubChem:CID58329384
|
Local ready
Direct docking supported
|
|
E3L011163
BDB011163
|
BDBM235320
CCOC(=O)Cn1c(=O)c2cnc3c(OC)cccc3c2n(C2CCCC2)c1=O
|
C21H23N3O5 397.431000 |
QVFKSVSVSZNHBI-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235320; PubChem:CID58329386
|
Local ready
Direct docking supported
|
|
E3L011164
BDB011164
|
BDBM235321
CCn1c(=O)c2cnc3c(OC)cccc3c2n(CCCF)c1=O
|
C17H18FN3O3 331.347000 |
WIXFQAYAKRUUGT-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235321; PubChem:CID58329398
|
Local ready
Direct docking supported
|
|
E3L011165
BDB011165
|
BDBM235322
COc1cccc2c1ncc1c(=O)n(C)c(=O)n(C3CCCC3)c12
|
C18H19N3O3 325.368000 |
AIQDEWPLFZXAOT-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235322; PubChem:CID58329385
|
Local ready
Direct docking supported
|
|
E3L011166
BDB011166
|
BDBM235327
COc1cccc2c1ncc1c(=O)n(-c3ccc(C)cc3)c(=O)n(C3CCCC3)c12
|
C24H23N3O3 401.466000 |
FOCBXVWTIKRGEO-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235327; PubChem:CID58329415
|
Local ready
Direct docking supported
|
|
E3L011167
BDB011167
|
BDBM235344
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(C)CC3)c12
|
C25H24ClN3O3 449.938000 |
HMHMNSOEZLANDL-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235344; PubChem:CID58329409
|
Local ready
Direct docking supported
|
|
E3L011168
BDB011168
|
BDBM235345
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCCC3)c12
|
C23H20ClN3O3 421.884000 |
JUZPJZSDHMNYSS-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235345; PubChem:CID58329405
|
Local ready
Direct docking supported
|
|
E3L011169
BDB011169
|
BDBM235347
CCc1cccc(-n2c(=O)c3cnc4c(OC)cccc4c3n(C3CCCC3)c2=O)c1
|
C25H25N3O3 415.493000 |
PUVOZFSDIYNDGR-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235347; PubChem:CID58329404
|
Local ready
Direct docking supported
|
|
E3L011170
BDB011170
|
BDBM235350
COc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCC(C)CC3)c12
|
C26H27N3O3 429.520000 |
RUKDKMBIZSFODD-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235350; PubChem:CID58329378
|
Local ready
Direct docking supported
|
|
E3L011171
BDB011171
|
BDBM235355
CCCCn1c(=O)n(-c2cccc(C)c2)c(=O)c2cnc3c(OC)cccc3c21
|
C23H23N3O3 389.455000 |
QEHLDAILVPJKJD-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235355; PubChem:CID58329428
|
Local ready
Direct docking supported
|
|
E3L011172
BDB011172
|
BDBM235358
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(F)(F)CC3)c12
|
C24H20ClF2N3O3 471.891000 |
JUOMAZJAWFVNCD-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235358; PubChem:CID58329427
|
Local ready
Direct docking supported
|
|
E3L011173
BDB011173
|
BDBM235359
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c12
|
C28H29ClN4O5 537.016000 |
WLPGFXATLLKQGT-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235359; PubChem:CID44187420
|
Local ready
Direct docking supported
|
|
E3L011174
BDB011174
|
BDBM235360
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCNCC3)c12
|
C23H21ClN4O3 436.899000 |
CZVSIRAXWOPYTM-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235360; PubChem:CID58329433
|
Local ready
Direct docking supported
|
|
E3L011175
BDB011175
|
BDBM235361
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(C(C)=O)CC3)c12
|
C25H23ClN4O4 478.936000 |
LXSZIQSHGAAWFX-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235361; PubChem:CID58329429
|
Local ready
Direct docking supported
|
|
E3L011176
BDB011176
|
BDBM235362
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(C(=O)c4ccccc4)CC3)c12
|
C30H25ClN4O4 541.007000 |
DFTGKUJJDBYDBZ-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235362; PubChem:CID58329374
|
Local ready
Direct docking supported
|
|
E3L011177
BDB011177
|
BDBM235363
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(S(=O)(=O)C(C)C)CC3)c12
|
C26H27ClN4O5S 543.045000 |
XUUYDWPUWOPVDD-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235363; PubChem:CID58329456
|
Local ready
Direct docking supported
|
|
E3L011178
BDB011178
|
BDBM235364
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(S(=O)(=O)N(C)C)CC3)c12
|
C25H26ClN5O5S 544.033000 |
VBDPBRNLIHHGNF-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235364; PubChem:CID58329413
|
Local ready
Direct docking supported
|
|
E3L011179
BDB011179
|
BDBM235365
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(S(=O)(=O)c4ccccc4)CC3)c12
|
C29H25ClN4O5S 577.062000 |
ZPBLUEXWDMMUHO-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235365; PubChem:CID58329383
|
Local ready
Direct docking supported
|
|
E3L011180
BDB011180
|
BDBM235366
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(S(=O)(=O)C4CCS(=O)(=O)C4)CC3)c12
|
C27H27ClN4O7S2 619.121000 |
HYQJMZNWNFLLRO-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM235366; PubChem:CID44187607
|
Local ready
Direct docking supported
|