Reaction Details Report a problem with these data
Target
Lipopolysaccharide-induced tumor necrosis factor-alpha factor
Ligand
BDBM235319
Substrate
n/a
Meas. Tech.
TNF inhibition assay
IC50
200±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:
BDBM235319
Synonyms:
US10085990, Example 45 | US9393245, 45
Type:
Small organic molecule
Emp. Form.:
C21H25N3O3
Mol. Mass.:
367.4415
SMILES:
CCn1c(=O)n(C2CCC(C)CC2)c2c3cccc(OC)c3ncc2c1=O |(5.33,1.93,;4,2.69,;2.67,1.92,;1.33,2.69,;1.33,4.23,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5,;-4,4.23,;-5.33,5,;-4,2.69,;-2.67,1.93,;,.38,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-4,-5,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;2.67,.38,;4,-.39,)|
Structure:
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