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SMILES: Clc1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1

InChI Key: InChIKey=VIPQHIZOOZENKL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50453987   
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))		BDBM50453987
PNG
(CHEMBL4203548)
Show SMILES Clc1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C18H16ClN5O2S/c19-15-6-7-16-21-12-17(24(16)22-15)27(25,26)23-10-8-18(13-20,9-11-23)14-4-2-1-3-5-14/h1-7,12H,8-11H2
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n/an/a 2.50E+4n/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