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SMILES: CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1cncc(c1)C(F)(F)F

InChI Key: InChIKey=FGDKWPNKPDYNCE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454006   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tumor necrosis factor


(Homo sapiens (Human))		BDBM50454006
PNG
(CHEMBL4213788)
Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1cncc(c1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N6O2S/c1-2-25-5-7-26(8-6-25)30(28,29)17-12-23-16-4-3-15(24-27(16)17)13-9-14(11-22-10-13)18(19,20)21/h3-4,9-12H,2,5-8H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Padmashri Vikhe Patil College of Arts

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA

Bioorg Med Chem Lett 28: 24-30 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.026
BindingDB Entry DOI: 10.7270/Q2TQ6441
More data for this
Ligand-Target Pair