Reaction Details Report a problem with these data
Target
Lipopolysaccharide-induced tumor necrosis factor-alpha factor
Ligand
BDBM235369
Substrate
n/a
Meas. Tech.
TNF inhibition assay
IC50
20.0±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:
BDBM235369
Synonyms:
US10085990, Example 99 | US9393245, 99
Type:
Small organic molecule
Emp. Form.:
C25H24ClN3O3
Mol. Mass.:
449.929
SMILES:
COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccccc2Cl)c1=O |(-4.67,-5,;-3.33,-4.23,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-4.67,4.23,;-6,5,;-4.67,2.69,;-3.33,1.93,;.67,2.69,;.67,4.23,;2,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;6,4.23,;6,2.69,;4.67,1.93,;4.67,.38,;2,.38,;3.33,-.38,)|
Structure:
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