BindingDB logo
myBDB logout

null

SMILES: CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=LJUSASFZIKUZHU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454028   
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))		BDBM50454028
PNG
(CHEMBL4216431)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-20(8-10-21)22-11-12-23-25-17-24(29(23)26-22)35(32,33)28-15-13-27(14-16-28)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+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