BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50453985'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tumor necrosis factor


(Homo sapiens (Human))		BDBM50453985
PNG
(CHEMBL4208400)
Show SMILES COc1cccc(CNS(=O)(=O)c2cnc3ccc(nn23)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C21H20N4O5S2/c1-30-17-5-3-4-15(12-17)13-23-32(28,29)21-14-22-20-11-10-19(24-25(20)21)16-6-8-18(9-7-16)31(2,26)27/h3-12,14,23H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+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