Reaction Details Report a problem with these data
Target
Tumor necrosis factor
Ligand
BDBM65730
Substrate
n/a
Meas. Tech.
SAR analysis of inhibitors of TNFa specific NF-kB induction - Set 2
IC50
13100±n/a nM
Citation
 PubChem, PC SAR analysis of inhibitors of TNFa specific NF-kB induction - Set 2 PubChem Bioassay (2010)[AID] 
Target
Name:
Tumor necrosis factor
Synonyms:
Cachectin | TNF | TNF-a | TNF-alpha | TNFA | TNFA_HUMAN | TNFSF2 | Tumor necrosis factor (TNF-alpha) | Tumor necrosis factor (TNFa) | Tumor necrosis factor alpha (TNFα) | Tumor necrosis factor ligand superfamily member 2 | Tumor necrosis factor, membrane form | Tumor necrosis factor, soluble form | tumor necrosis factor alpha
Type:
Enzyme
Mol. Mass.:
25645.11
Organism:
Homo sapiens (Human)
Description:
P01375
Residue:
233
Sequence:
MSTESMIRDVELAEEALPKKTGGPQGSRRCLFLSLFSFLIVAGATTLFCLLHFGVIGPQREEFPRDLSLISPLAQAVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
  
Inhibitor
Name:
BDBM65730
Synonyms:
2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide | 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide | 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide | 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanamide | MLS-0032434.0001 | cid_649032
Type:
Small organic molecule
Emp. Form.:
C17H23N7O3S2
Mol. Mass.:
437.54
SMILES:
CCCCn1c(SCC(=O)Nc2nnc(CC)s2)nc2n(C)c(=O)n(C)c(=O)c12
Structure:
Search PDB for entries with ligand similarity: