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SMILES: Fc1cncc(c1)-c1ccc2ncc(n2n1)S(=O)(=O)NCC1CCCO1

InChI Key: InChIKey=DCHSFOVHQMPSSL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50453998   
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))		BDBM50453998
PNG
(CHEMBL4206211)
Show SMILES Fc1cncc(c1)-c1ccc2ncc(n2n1)S(=O)(=O)NCC1CCCO1
Show InChI InChI=1S/C16H16FN5O3S/c17-12-6-11(7-18-8-12)14-3-4-15-19-10-16(22(15)21-14)26(23,24)20-9-13-2-1-5-25-13/h3-4,6-8,10,13,20H,1-2,5,9H2
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n/an/a 4.00E+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