Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50454005'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454005 (CHEMBL4208563) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N5O3S/c1-3-22-10-12-23(13-11-22)28(25,26)19-14-20-18-9-8-17(21-24(18)19)15-4-6-16(27-2)7-5-15/h4-9,14H,3,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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