Reaction Details Report a problem with these data
Target
Lipopolysaccharide-induced tumor necrosis factor-alpha factor
Ligand
BDBM235370
Substrate
n/a
Meas. Tech.
TNF inhibition assay
IC50
0.900±n/a nM
Citation
 Mjalli, AM; Gaddam, B; Polisetti, DR; Kostura, MJ; Guzel, M Tricyclic compounds as modulators of TNF-α synthesis and as PDE4 inhibitors US Patent  US10085990 Publication Date 10/2/2018 
Target
Name:
Lipopolysaccharide-induced tumor necrosis factor-alpha factor
Synonyms:
LITAF | LITAF_HUMAN | LPS-induced TNF-alpha factor | PIG7 | SIMPLE | Small integral membrane protein of lysosome/late endosome | TNF-alpha | p53-induced gene 7 protein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
17106.57
Organism:
Homo sapiens (Human)
Description:
TNF-alpha 0 HUMAN::Q99732
Residue:
161
Sequence:
MSVPGPYQAATGPSSAPSAPPSYEETVAVNSYYPTPPAPMPGPTTGLVTGPDGKGMNPPSYYTQPAPIPNNNPITVQTVYVQHPITFLDRPIQMCCPSCNKMIVSQLSYNAGALTWLSCGSLCLLGCIAGCCFIPFCVDALQDVDHYCPNCRALLGTYKRL
  
Inhibitor
Name:
BDBM235370
Synonyms:
US10085990, Example 100 | US9393245, 100
Type:
Small organic molecule
Emp. Form.:
C25H24ClN3O3
Mol. Mass.:
449.929
SMILES:
COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccc(Cl)cc2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;1.33,.38,;2.67,-.38,)|
Structure:
Search PDB for entries with ligand similarity: